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 polar\B MN_REP1.FIN EXBLK5S-N1006 Contamination 6.5615 1059.5 22.6 scans 56% TIC 4.5% 0.0994% 45 1.7 56 5870 337142 314709 1-2 0.938 6.63 -3.8 87 86 79 92 295 16.0 8.266 -0.063 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1194 Alanine 7.2012 1097.5 6.8 scans 85% 116 m/z 1.8% 0.0945% 106 2.7 74 14265 320613 295953 0-8 4: 116 73 117 147 0.998 7.40 -12.0 96 96 95 96 283 0.0 0.000 -0.203 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1188 Contamination 8.2882 1161.9 8.4 scans 78% 281 m/z 9.6% 0.0251% 209 2.6 39 2772 0.0303% 85268 85268 102704 0-0 2: 281 283 0.965 8.41 -7.5 92 93 72 94 369 12.0 9.324 -0.127 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1186 Phosphate 8.4407 1170.9 3.2 scans 42% 241 m/z 6.7% 0.00936% 224 1.9 36 3962 0.00967% 31758 29671 32777 1-1 5: 241 242 163 243 211 0.748 8.56 -7.1 93 94 75 94 299 0.0 0.000 -0.120 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1184 Valine 9.0679 1208.0 4.8 scans 78% 144 m/z 4.6% 0.0224% 283 2.7 44 5743 76003 75598 0-2 3: 144 218 145 0.972 9.19 -7.0 94 95 87 94 218 14.5 10.723 -0.120 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1180 Benzoic acid 9.6476 1241.9 6.9 scans 87% 179 m/z 3.6% 0.0659% 338 4.2 63 7413 223585 215750 1-3 8: 179 105 135 77 180 136 51 194 0.981 9.76 -6.6 97 97 93 98 194 9.9 2.475 -0.111 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1178 Ethanolamine 9.9412 1259.1 5.3 scans 81% 174 m/z 2.6% 0.0374% 366 1.9 60 9997 0.164% 126913 120303 555891 11-0 7: 174 73 175 100 176 86 147 0.983 10.03 -5.4 97 96 91 96 262 6.7 1.235 -0.093 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN VEN77_S6-N1002 Glycerol 10.0222 1263.9 3.3 scans 89% TIC 0.12% 0.678% 374 1.7 297 207303 0.699% 2298704 2142699 2369316 1-4 0.929 10.09 -4.1 100 99 97 100 299 177.2 35.706 -0.072 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LACTIC~1-N1034 Glycerol 10.0348 1264.6 4.6 scans 9.7% 147 m/z (299) 2.0% 0.0842% 375 1.9 88 13049 0.0891% 285541 256056 302012 2-3 13: 147 205 117 103 218 206 204 217 148 129 175 203 219 0.609 10.11 -4.4 91 98 60 95 293 6.5 0.547 -0.075 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1176 Isoleucine 10.3715 1284.3 3.8 scans 53% 158 m/z 5.5% 0.00984% 407 1.8 34 4848 0.0166% 33368 31743 56267 1-0 4: 158 159 218 232 1.000 10.46 -5.1 85 85 62 85 260 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1012 Proline 10.4568 1289.3 4.1 scans 97% 142 m/z 0.083% 0.895% 415 1.6 324 322006 1.15% 3036860 3012465 3898016 1-0 20: 142 73 143 216 147 144 72 74 75 59 66 217 141 148 100 133 244 68 218 99 0.997 10.53 -4.5 100 98 98 100 216 60.5 3.494 -0.076 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5315 1293.6 >5 scans 82% TIC 0.37% 0.279% 422 1.9 178 72068 1.53% 948161 948161 5186056 0-0 0.997 10.60 -4.2 98 97 97 98 245 38.7 4.737 -0.071 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1170 Glycine 10.5998 1297.7 4.1 scans 39% 174 m/z 3.1% 0.0205% 429 1.5 50 8496 0.0446% 69782 68714 151175 1-0 8: 174 248 276 175 86 176 249 100 0.960 10.69 -5.1 85 86 62 86 276 10.1 4.099 -0.087 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.6746 1302.1 3.2 scans 95% TIC 0.15% 0.534% 436 1.6 274 172775 1.75% 1812982 1690124 5931764 0-3 0.994 10.76 -5.0 99 98 96 99 251 64.4 5.529 -0.083 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1168 Glyceric acid 10.9807 1320.5 3.4 scans 98% 73 m/z 0.096% 1.55% 465 1.5 463 276981 5261264 5239899 0-2 20: 73 147 292 189 133 103 293 205 117 102 148 307 190 75 74 294 59 149 191 101 1.000 11.05 -4.4 100 100 99 100 292 140.6 9.217 -0.073 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1162 Fumaric acid 11.3227 1341.1 3.5 scans 95% 245 m/z 0.68% 0.141% 498 1.9 137 39192 0.251% 480533 475160 850784 0-1 20: 245 73 147 246 75 143 247 83 149 155 53 133 84 148 115 157 61 59 217 144 0.997 11.39 -4.2 100 99 98 99 245 77.1 31.855 -0.070 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1160 Serine 11.4753 1350.3 3.4 scans 96% TIC 0.42% 0.305% 512 1.5 208 62571 0.452% 1037165 984552 1532090 1-1 0.999 11.56 -4.9 100 99 98 99 306 21.2 1.034 -0.082 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.6962 1363.6 3.6 scans 80% 147 m/z 4.2% 0.0346% 533 1.1 64 6320 117464 101186 3-2 15: 147 73 247 101 59 148 116 131 102 262 75 87 149 103 248 0.986 11.79 -5.3 94 94 90 94 262 8.4 1.730 -0.089 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1024 Threonine 11.8909 1375.3 3.5 scans 94% 73 m/z 1.3% 0.113% 552 1.6 125 19990 385187 384369 0-1 20: 73 218 219 117 291 292 101 220 147 128 293 203 100 320 74 133 132 59 75 118 0.997 11.92 -1.8 99 98 97 98 320 12.3 0.970 -0.030 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1148 Glutamine?? 13.2798 1461.6 3.0 scans 94% 155 m/z 0.53% 0.152% 684 1.1 153 50073 0.156% 517148 490201 528774 5-3 20: 155 73 147 156 229 139 59 75 100 74 157 230 149 84 131 133 257 72 56 103 0.982 13.35 -4.3 98 97 97 98 257 12.4 0.650 -0.067 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1146 Malic acid 13.5639 1479.5 3.6 scans 98% 73 m/z 0.016% 8.71% 711 0.3 1073 1597418 29532648 29101776 1-0 20: 73 147 233 245 189 133 190 335 148 191 175 75 149 234 74 101 55 307 265 217 1.000 13.62 -3.3 100 100 100 100 350 28.9 0.073 -0.053 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1144 Contamination Parabanica acid 13.7386 1490.5 3.2 scans 67% 243 m/z (245) 10% 0.0118% 727 1.4 42 2497 40212 39953 2-0 6: 243 100 115 128 116 244 0.927 13.81 -4.3 89 93 74 92 243 18.6 19.700 -0.067 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1028 Aspartic acid 14.0121 1508.2 2.5 scans 38% 232 m/z (73) 0.81% 0.0724% 753 1.2 117 33050 245500 244916 0-1 20: 232 218 233 100 234 202 188 216 219 306 349 334 204 101 130 235 132 220 189 203 0.951 14.02 -0.3 94 95 90 98 258 4.7 0.000 -0.005 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1140 Aspartic acid 14.0216 1508.8 3.6 scans 67% 73 m/z (156) 0.49% 0.228% 754 1.3 177 54137 772838 750593 1-1 15: 73 147 75 74 59 133 72 149 131 70 76 66 61 99 71 0.978 14.09 -4.3 95 97 96 97 349 10.4 0.346 -0.065 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0216 1508.8 3.6 scans 79% 73 m/z (232) 0.34% 0.269% 754 1.3 192 76841 914115 887803 1-1 15: 73 147 75 74 59 133 72 149 131 70 76 66 61 99 71 0.982 14.11 -5.9 96 97 96 98 273 7.2 0.141 -0.088 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0290 1509.3 3.0 scans 89% 156 m/z 0.35% 0.219% 755 0.9 189 76362 742324 730687 0-2 20: 156 157 258 230 158 148 231 58 121 140 55 260 112 85 67 214 141 228 84 114 0.953 14.03 -0.0 99 98 97 99 258 36.6 3.748 -0.001 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1032 GABA 14.1805 1519.3 2.6 scans 94% 174 m/z 0.55% 0.159% 769 1.5 169 48447 542220 541047 0-1 18: 174 304 73 147 175 305 86 176 59 143 216 306 148 133 172 130 142 131 0.997 14.19 -0.5 100 99 98 99 304 52.8 9.717 -0.008 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3573 1531.1 2.6 scans 82% TIC 4.5% 0.0210% 786 0.7 61 5888 0.178% 71322 61553 603345 1-1 0.986 14.62 -17.5 91 90 87 91 409 4.5 0.542 -0.264 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6161 1548.2 2.5 scans 98% 73 m/z 0.064% 1.68% 811 0.7 566 416660 5722708 5668483 0-1 20: 73 292 147 220 205 293 217 117 103 294 221 148 133 74 319 291 149 75 206 102 1.000 14.69 -5.0 100 99 99 99 409 44.8 0.627 -0.076 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7329 1556.0 3.0 scans 89% 174 m/z 1.1% 0.0697% 822 1.0 108 23454 236353 236051 0-1 18: 174 73 175 86 176 91 250 100 59 130 162 251 65 144 116 87 177 77 0.932 14.16 37.7 89 90 90 99 250 20.7 3.711 0.568 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3831 1599.1 2.7 scans 84% 217 m/z 0.74% 0.0650% 884 1.4 118 36162 0.107% 220592 220592 362685 0-0 19: 217 73 218 219 147 189 230 215 103 74 129 75 148 133 305 333 220 131 59 0.985 15.44 -3.9 96 96 95 96 393 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1036 Glutamic acic 15.5020 1607.3 2.4 scans 77% 246 m/z 5.3% 0.0115% 895 0.9 49 4974 38995 38995 0-0 7: 246 247 128 348 156 230 248 0.972 15.50 -0.1 97 98 94 99 363 4.7 0.934 -0.001 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1118 Phenylalanine 15.6009 1614.2 2.8 scans 75% 218 m/z 5.7% 0.0169% 904 1.1 55 4675 57387 57387 0-0 6: 218 192 219 91 266 100 0.987 15.66 -4.0 91 91 89 94 294 3.4 0.377 -0.058 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1038 Xylose 15.8924 1634.4 3.5 scans 74% 217 m/z 4.2% 0.0286% 932 1.3 60 6259 97058 92519 1-0 7: 217 103 307 218 219 189 133 0.938 15.89 0.2 89 88 86 92 307 11.7 3.801 0.002 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1040 Xylose 16.0092 1642.5 2.6 scans 88% 73 m/z 1.9% 0.0479% 943 1.0 97 13512 162631 154042 1-1 20: 73 103 307 217 147 189 308 204 218 160 74 309 205 129 133 277 75 117 89 104 0.995 16.00 0.4 95 94 93 96 307 27.1 7.753 0.005 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1042 Ribose 16.1081 1649.4 2.8 scans 75% 73 m/z 4.6% 0.0203% 952 0.9 59 5815 0.0916% 68852 63411 310485 2-0 10: 73 103 217 307 147 189 277 160 308 218 0.977 16.10 0.4 93 94 87 93 307 17.6 8.778 0.005 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6184 1684.8 2.6 scans 75% TIC 7.5% 0.0122% 1001 1.4 50 3553 0.0285% 41631 41631 96603 0-0 0.948 16.68 -4.0 91 92 81 92 497 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9299 1706.8 2.7 scans 73% 217 m/z 6.3% 0.0203% 1031 1.0 59 4210 0.0605% 69135 69135 205070 0-0 7: 217 319 307 103 205 218 129 0.988 16.99 -4.3 91 91 86 91 422 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1096 Putrescine 17.1908 1725.8 2.8 scans 59% 174 m/z 5.5% 0.00806% 1055 1.2 37 4870 27334 27334 0-0 3: 174 175 214 0.994 17.25 -4.2 91 92 90 92 458 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3813 1739.7 2.8 scans 80% TIC 4.9% 0.0213% 1073 1.6 62 5421 0.187% 72497 72497 633851 0-0 0.977 17.44 -4.6 92 93 88 92 511 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5675 1753.3 2.8 scans 89% 217 m/z 0.67% 0.107% 1091 1.0 140 39693 0.174% 365240 328059 589787 3-1 20: 217 73 218 147 219 450 74 75 189 220 230 129 133 244 149 215 130 143 232 231 0.995 17.63 -4.7 94 94 92 94 450 16.8 1.434 -0.064 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1088 Glutamine?? 17.6527 1759.5 >3 scans 82% TIC 2.0% 0.0614% 1099 1.3 104 13173 0.407% 208450 207771 1379559 1-0 0.989 17.73 -5.4 86 86 87 86 511 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7022 1763.2 3.1 scans 75% TIC 1.7% 0.0648% 1104 0.7 121 15407 0.204% 219706 219706 691474 0-0 0.971 17.70 0.3 96 96 91 96 375 15.6 1.667 0.003 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1046 Shikimic acid 18.1325 1794.6 2.5 scans 48% 204 m/z (217) 1.5% 0.0691% 1145 0.8 110 17423 234403 212010 4-3 9: 204 372 357 255 254 256 282 462 151 0.918 18.13 0.6 88 89 87 94 372 12.7 1.326 0.008 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1084 Shikimic acid 18.1325 1794.6 2.5 scans 19% 204 m/z (231) 1.5% 0.0275% 1145 0.8 69 17535 93497 84565 4-3 9: 204 372 357 255 254 256 282 462 151 0.764 18.20 -4.6 83 88 70 91 462 7.6 1.202 -0.064 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1048 Citric acid 18.2504 1803.3 2.4 scans 66% 273 m/z 3.7% 0.0298% 1156 1.0 78 7163 101118 101118 0-1 12: 273 347 274 363 375 465 364 348 275 211 376 466 0.965 18.24 0.5 97 97 91 98 465 13.2 2.826 0.006 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1076 Pregnane?? 18.8154 1846.4 3.6 scans 96% 345 m/z 0.011% 11.5% 1210 0.4 1279 2421248 39182235 37852113 1-1 20: 345 73 255 346 147 347 334 191 204 256 435 133 419 372 74 257 148 75 239 243 1.000 18.86 -3.3 100 100 99 100 537 97.0 0.578 -0.043 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1050 Fructose 18.9690 1858.1 3.9 scans 97% 73 m/z 0.046% 3.79% 1224 1.2 695 573827 12859201 12572620 1-1 20: 73 307 217 103 147 308 218 277 133 309 364 74 189 117 205 104 219 89 148 75 1.000 18.98 -0.9 100 98 99 99 364 76.2 1.207 -0.011 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1052 Fructose 19.1100 1868.9 5.4 scans 95% TIC 0.088% 2.59% 1238 0.6 496 302449 35.1% 8782286 8510085 118974236 2-3 0.998 19.10 0.5 99 98 99 98 364 55.6 1.257 0.006 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1068 Galactopyranose 19.2321 1878.2 >3 scans 75% TIC 0.62% 0.132% 1249 1.1 158 42907 27.8% 447920 443529 94230306 1-0 0.997 19.32 -6.3 97 96 93 97 435 12.3 0.603 -0.083 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1056 Glucose 19.3468 1886.9 >5 scans 81% 322 m/z 0.012% 18.3% 1260 0.3 1298 2096230 23.3% 62275611 60569015 78977199 1-0 15: 322 230 132 55 279 309 256 269 375 261 381 337 348 213 362 0.996 19.33 1.1 100 99 99 99 364 96.9 0.560 0.015 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1064 Mannose 19.3615 1888.1 6.8 scans 96% 73 m/z 0.011% 28.6% 1262 0.2 1500 2274052 97140133 93831997 1-1 20: 73 319 205 147 160 320 217 103 206 117 321 74 129 133 157 229 148 75 161 189 0.998 19.45 -7.1 100 99 99 100 319 587.1 15.376 -0.094 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5151 1899.8 2.9 scans 14% 174 m/z 2.2% 0.0144% 1276 1.2 49 12018 0.0225% 49053 49053 76266 0-0 1: 174 1.000 19.49 2.0 80 81 55 81 338 11.0 4.957 0.025 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1059 Glucose 19.5719 1904.3 3.0 scans 90% 319 m/z (317) 0.021% 7.09% 1282 0.5 1051 1246369 24057115 22516809 1-1 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 74 129 157 148 189 204 89 1.000 19.55 1.6 98 99 99 99 376 43.1 0.169 0.020 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1062 Glucose 19.5719 1904.3 3.0 scans 96% 319 m/z 0.022% 7.34% 1282 0.5 1085 1203760 24899780 23305521 1-1 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 74 129 157 148 189 204 89 1.000 19.66 -6.8 100 98 99 100 319 427.1 15.554 -0.084 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1061 Lysine 19.6235 1908.5 >3 scans 59% TIC 6.4% 0.0180% 1287 1.6 61 4185 4.68% 61048 59528 15863231 0-2 0.971 19.61 0.9 86 85 78 92 434 7.2 1.401 0.010 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1060 Lysine 19.6256 1908.6 2.7 scans 35% 317 m/z 7.9% 0.0134% 1287 1.0 48 3355 0.108% 45475 45475 366075 0-0 8: 317 174 156 128 318 230 175 200 0.987 19.69 -5.5 84 85 79 87 479 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN N406_R~2-N1016 Galacturonic acid 19.7834 1921.3 2.5 scans 25% 333 m/z 10% 0.00425% 1302 0.9 29 2444 0.0147% 14425 14425 49827 0-0 2: 333 334 0.867 19.79 -0.8 84 86 74 89 423 4.0 1.943 -0.010 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1056 Ascorbic acid 19.9107 1931.6 2.6 scans 83% TIC 2.0% 0.0567% 1314 0.6 97 13208 0.132% 192291 181163 447424 0-2 0.988 19.99 -6.1 96 95 91 95 449 11.8 1.482 -0.075 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2916 1962.2 2.5 scans 96% 204 m/z 0.30% 0.268% 1350 1.0 235 87366 908918 901545 0-1 20: 204 73 191 147 205 217 192 206 218 74 148 129 103 133 189 193 75 117 305 149 1.000 20.41 -9.8 99 98 97 98 217 51.0 4.707 -0.122 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1052 Gluconic acid 2 20.5147 1980.1 3.3 scans 80% TIC 1.5% 0.0854% 1371 0.6 117 17289 0.238% 289670 289670 806720 0-0 0.957 20.60 -6.6 93 94 91 93 613 0.0 0.000 -0.082 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6805 2077.2 3.1 scans 98% 305 m/z 0.020% 9.63% 1482 0.6 1241 1320212 32650417 32315636 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 367 133 129 291 148 0.999 21.75 -5.7 100 100 100 100 507 103.2 0.695 -0.068 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8773 2093.7 3.4 scans 92% 319 m/z 1.3% 0.109% 1501 1.1 123 19217 371717 340348 3-2 20: 319 73 147 320 321 217 103 262 206 204 117 129 229 89 263 218 291 149 131 191 0.993 21.93 -4.4 94 93 91 94 656 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1951 2121.2 2.8 scans 87% 396 m/z 1.3% 0.0822% 1531 1.1 119 19745 0.0841% 278928 255458 285064 1-5 18: 396 219 73 397 381 398 220 191 307 249 382 293 233 221 399 308 250 192 0.982 22.19 0.7 96 96 89 96 396 54.7 21.256 0.009 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1028 Glycerolgalactose 24.1385 2295.2 2.7 scans 90% 204 m/z 3.0% 0.0267% 1716 0.9 68 8889 90595 87565 0-3 10: 204 73 337 147 205 217 103 206 129 219 0.987 24.01 11.7 92 92 90 93 490 0.0 0.000 0.128 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5417 2529.8 2.4 scans 74% 512 m/z 18% 0.00559% 1944 0.9 34 1447 18974 18974 0-0 5: 512 455 456 247 513 0.939 26.57 -3.3 83 86 60 85 512 14.8 19.163 -0.031 G:\GCMS data\Nicotiana Panel polar\B MN_REP1.FIN LQC1-N1014 Sucrose 27.3919 2618.2 3.2 scans 97% 361 m/z 0.011% 9.98% 2025 0.6 1240 2338210 33852288 32973173 1-1 20: 361 73 362 217 437 363 147 271 103 451 169 438 129 218 319 243 191 439 452 74 1.000 27.49 -10.5 100 99 99 100 437 252.8 4.183 -0.098 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN EXBLK5S-N1006 Contamination 6.4679 1054.0 18.9 scans 31% 295 m/z 4.6% 0.0223% 36 1.4 44 5925 0.0660% 101009 101009 298660 0-0 1: 295 0.892 6.63 -9.3 91 93 63 92 295 16.2 13.573 -0.157 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1194 Alanine 7.2139 1098.2 5.2 scans 86% 116 m/z 0.93% 0.108% 107 2.4 110 29648 490401 448775 1-3 12: 116 73 147 117 190 118 59 103 128 100 72 86 0.995 7.40 -11.3 98 97 96 97 283 0.0 0.000 -0.190 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN A-KETO~2-N1006 Contamination?? 7.7453 1129.7 4.1 scans 49% TIC 11% 0.00297% 158 1.7 36 2375 0.0213% 13482 13482 96386 0-0 0.967 7.96 -12.5 87 85 78 96 156 19.7 29.598 -0.212 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1192 Contamination 7.8284 1134.6 3.4 scans 52% 147 m/z 10% 0.00751% 165 1.9 42 2676 0.0141% 34004 34004 63805 0-0 5: 147 73 235 220 133 0.965 7.99 -9.6 87 88 79 89 235 9.8 5.370 -0.161 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN WTF2-N1026 Cadaverine NC 8.0872 1150.0 6.0 scans 58% 174 m/z 9.3% 0.0112% 190 2.6 34 2945 0.0126% 50772 50772 57017 0-0 1: 174 0.987 7.74 20.8 90 91 83 93 216 8.1 5.609 0.351 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1188 Contamination 8.2893 1162.0 8.7 scans 77% 281 m/z 6.7% 0.0344% 210 2.9 53 4106 0.0388% 155766 155766 175576 0-0 2: 281 282 0.953 8.41 -7.4 93 93 67 97 369 15.3 8.353 -0.126 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1186 Phosphate 8.4460 1171.3 2.8 scans 45% 241 m/z 8.4% 0.00497% 224 1.9 33 3255 22505 20271 1-1 3: 241 242 211 0.991 8.56 -6.7 92 93 76 93 299 0.0 0.000 -0.115 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1184 Valine 9.0721 1208.3 4.0 scans 75% 144 m/z 2.6% 0.0314% 284 2.6 63 10309 142173 114550 1-21 6: 144 73 218 145 146 219 0.977 9.19 -6.7 97 97 92 97 218 19.2 9.135 -0.116 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1178 Ethanolamine 9.9391 1259.0 4.3 scans 83% 174 m/z 1.3% 0.0513% 366 1.9 91 20123 0.226% 232315 230510 1022683 3-0 12: 174 175 73 176 147 100 133 86 130 59 262 131 0.984 10.03 -5.5 98 97 93 97 262 10.0 1.217 -0.095 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN VEN77_S6-N1002 Glycerol 10.0233 1263.9 3.1 scans 86% TIC 0.091% 0.677% 374 1.7 368 300202 0.704% 3066766 2644349 3185703 3-4 0.933 10.09 -4.1 100 100 98 100 299 221.7 36.340 -0.071 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LACTIC~1-N1034 Glycerol 10.0391 1264.8 4.2 scans 37% 205 m/z (299) 0.87% 0.181% 376 1.9 157 31602 0.194% 821136 717229 877878 2-5 10: 205 147 117 218 204 206 175 101 217 203 0.952 10.11 -4.2 94 97 94 98 293 9.8 0.389 -0.071 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.1853 1273.4 3.6 scans 71% 198 m/z 5.5% 0.0132% 390 2.3 46 4987 59980 56003 1-4 3: 198 211 77 0.967 10.24 -3.2 89 90 80 89 381 4.3 0.862 -0.055 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1176 Isoleucine 10.3726 1284.4 3.4 scans 67% 158 m/z 2.9% 0.0154% 407 2.0 55 9276 0.0257% 69911 69911 116296 0-0 4: 158 159 218 232 0.987 10.46 -5.0 94 94 85 94 260 0.0 0.000 -0.086 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1012 Proline 10.4599 1289.5 3.5 scans 96% 142 m/z 0.052% 0.975% 416 1.7 423 522191 1.17% 4415984 4306415 5294422 1-0 20: 142 73 143 216 147 144 74 75 72 101 59 66 217 218 100 244 133 148 70 115 0.994 10.53 -4.3 100 99 98 100 216 77.6 3.390 -0.073 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5357 1293.9 >5 scans 81% TIC 0.27% 0.185% 423 0.9 215 100045 1.72% 840317 840317 7783253 0-0 0.996 10.60 -3.9 98 98 97 98 245 50.3 5.482 -0.066 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1170 Glycine 10.5925 1297.2 >4 scans 60% TIC 2.1% 0.0211% 428 1.7 81 12916 1.29% 95634 95634 5837439 0-0 0.989 10.69 -5.6 93 92 86 92 276 12.3 2.308 -0.094 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.6788 1302.3 3.1 scans 94% 147 m/z 0.093% 0.689% 436 1.7 366 295099 1.14% 3117993 2951700 5158667 2-5 20: 147 73 76 251 148 149 58 132 177 74 133 252 150 176 253 118 62 59 72 134 0.979 10.76 -4.8 99 98 97 99 251 86.5 5.579 -0.079 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1168 Glyceric acid 10.9829 1320.6 3.0 scans 96% 73 m/z 0.072% 1.50% 465 1.3 572 379410 6820742 6334275 1-3 20: 73 147 292 189 133 103 205 293 102 190 117 148 307 75 74 294 149 59 191 101 0.999 11.05 -4.3 100 100 99 100 292 175.6 9.453 -0.071 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1018 Uracil 11.0955 1327.4 4.1 scans 44% 241 m/z 20% 0.00404% 476 2.6 26 1325 0.00408% 18288 18288 18463 0-0 4: 241 99 255 256 0.961 11.15 -3.2 89 93 83 93 256 10.1 14.779 -0.053 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1162 Fumaric acid 11.3227 1341.1 3.1 scans 93% 245 m/z 0.39% 0.167% 498 1.5 191 70077 0.316% 758058 685293 1429946 1-1 20: 245 147 73 246 75 143 247 83 133 148 155 115 149 53 84 74 61 59 144 54 0.997 11.39 -4.2 100 99 98 99 245 107.1 31.575 -0.070 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1160 Serine 11.4753 1350.3 3.0 scans 95% 204 m/z 0.23% 0.384% 512 1.4 294 117717 1739360 1645943 5-2 20: 204 73 218 205 147 100 219 206 278 188 306 75 74 133 220 116 59 189 216 101 0.998 11.56 -4.9 100 99 99 99 306 30.8 1.097 -0.082 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN BRA4_R~2-N1008 Thymine 11.5668 1355.8 4.8 scans 42% 255 m/z 15% 0.00354% 521 2.1 23 1755 16059 16059 0-0 3: 255 270 256 1.000 11.58 -1.0 88 91 77 92 270 8.7 14.175 -0.017 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.6963 1363.6 3.3 scans 82% 147 m/z 3.1% 0.0304% 533 1.6 78 8771 0.0353% 137854 127631 159738 0-1 19: 147 73 247 101 59 116 148 102 75 131 103 87 248 262 66 149 133 217 129 0.996 11.79 -5.3 94 93 92 95 262 9.9 1.613 -0.089 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1024 Threonine 11.8899 1375.2 3.2 scans 94% 73 m/z 0.82% 0.138% 552 1.6 169 33553 0.145% 628125 610662 656146 0-6 20: 73 218 219 291 117 292 220 101 147 100 57 293 203 128 202 74 75 129 221 320 1.000 11.92 -1.9 100 99 98 99 320 16.0 0.901 -0.031 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1148 Glutamine?? 13.2798 1461.6 3.0 scans 95% TIC 0.25% 0.246% 684 0.9 230 108722 1116785 1026086 7-1 0.996 13.35 -4.3 100 99 99 99 257 17.7 0.594 -0.067 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1146 Malic acid 13.5450 1478.3 2.9 scans 99% 73 m/z 0.020% 4.52% 709 0.5 1030 1378491 20470175 20458556 1-0 20: 73 147 233 245 133 189 148 190 75 175 335 191 74 149 101 55 234 217 265 307 1.000 13.62 -4.5 100 100 99 100 350 27.5 0.072 -0.072 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1144 Contamination Parabanica acid 13.7344 1490.3 3.2 scans 79% TIC 4.4% 0.0176% 727 1.2 74 6220 3.73% 79783 79783 16878798 0-0 0.976 13.81 -4.5 93 94 88 93 243 31.9 18.399 -0.072 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1028 Aspartic acid 14.0100 1508.0 2.6 scans 29% 232 m/z (73) 0.86% 0.0524% 753 1.1 118 31746 237381 224976 1-3 20: 232 233 218 100 234 202 188 306 216 219 142 204 334 130 292 101 203 220 174 235 0.936 14.02 -0.5 95 96 93 98 258 5.6 0.000 -0.007 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0185 1508.6 3.3 scans 83% 73 m/z 0.30% 0.226% 754 1.1 220 90089 1026764 1000450 1-1 20: 73 147 75 74 59 72 148 231 133 149 70 131 214 76 60 114 115 221 71 103 0.870 14.03 -0.7 97 95 96 99 258 40.3 3.345 -0.012 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1140 Aspartic acid 14.0185 1508.6 3.3 scans 59% 73 m/z (156) 0.44% 0.167% 754 1.1 187 62523 759933 740458 1-1 20: 73 147 75 74 59 72 148 231 133 149 70 131 214 76 60 114 115 221 71 103 0.970 14.09 -4.5 93 94 94 96 349 7.9 0.180 -0.069 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0227 1508.9 2.9 scans 71% 156 m/z (232) 0.28% 0.177% 754 1.0 203 96606 801073 764341 1-1 20: 156 157 230 258 158 59 259 148 231 58 121 86 112 55 85 260 154 141 84 214 0.983 14.11 -5.8 96 97 97 99 273 8.8 0.189 -0.087 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1032 GABA 14.1773 1519.1 2.8 scans 95% 174 m/z 0.33% 0.201% 769 1.1 229 82455 910717 870071 1-2 20: 174 73 304 147 175 305 86 176 75 216 59 143 246 306 100 130 172 133 148 74 0.998 14.19 -0.7 100 99 99 99 304 70.6 9.464 -0.011 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3236 1528.8 3.0 scans 34% 239 m/z 13% 0.00357% 783 1.1 30 2028 16160 16160 0-0 3: 239 342 240 0.942 14.37 -3.4 83 85 46 88 342 14.1 22.617 -0.050 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3562 1531.0 3.0 scans 84% TIC 3.5% 0.0251% 786 0.7 73 7818 0.217% 113734 102429 981957 0-1 0.980 14.62 -17.6 93 93 87 93 409 4.5 0.385 -0.265 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6130 1548.0 2.6 scans 98% 73 m/z 0.061% 1.44% 810 0.8 615 448240 6545206 6362117 1-1 20: 73 292 147 220 205 293 217 117 103 294 221 148 133 74 319 291 149 75 206 102 1.000 14.69 -5.2 100 100 99 100 409 48.0 0.609 -0.079 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7298 1555.8 3.1 scans 49% 174 m/z (267) 0.61% 0.101% 821 1.1 149 45001 457841 444048 1-1 18: 174 175 176 86 91 250 100 59 130 65 162 251 117 158 252 101 160 60 0.954 14.16 37.5 89 94 92 99 250 28.7 3.706 0.565 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1126 Pyrazine 15.0686 1578.2 2.6 scans 78% 227 m/z 6.4% 0.0143% 853 1.0 61 4255 64870 64870 0-1 9: 227 344 301 217 345 154 228 139 302 1.000 15.13 -4.2 84 81 72 93 344 18.3 8.889 -0.063 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3821 1599.0 2.7 scans 80% 217 m/z 0.89% 0.0432% 883 1.1 115 30753 0.0728% 195796 195796 329431 0-0 18: 217 73 218 219 147 191 215 129 189 230 103 74 133 148 305 59 333 243 0.966 15.44 -4.0 96 96 93 97 393 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1036 Glutamic acic 15.4968 1606.9 2.6 scans 68% TIC 7.1% 0.00737% 894 0.9 44 3845 0.0687% 33374 30103 310878 0-1 0.953 15.50 -0.5 96 97 91 98 363 3.9 0.782 -0.006 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1118 Phenylalanine 15.5989 1614.0 2.7 scans 72% 218 m/z (267) 3.8% 0.0209% 904 1.1 74 7176 94981 90719 1-1 7: 218 192 204 219 220 266 100 0.979 15.66 -4.2 88 88 84 96 294 5.9 0.646 -0.060 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1038 Xylose 15.8914 1634.3 3.1 scans 68% 217 m/z 4.6% 0.0196% 932 1.5 64 5941 0.112% 88784 87121 506816 2-1 6: 217 307 103 189 218 308 0.942 15.89 0.1 91 90 88 96 307 16.5 6.754 0.001 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1040 Xylose 16.0082 1642.4 2.6 scans 88% 73 m/z 1.2% 0.0629% 943 1.1 133 22171 0.0935% 284796 257621 423101 3-1 20: 73 103 307 217 147 308 205 189 204 218 277 160 133 74 309 104 89 219 129 117 0.997 16.00 0.3 98 97 97 98 307 38.1 8.187 0.004 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1042 Ribose 16.1050 1649.2 2.9 scans 88% TIC 2.3% 0.0336% 952 0.9 91 11680 0.217% 152130 152130 981957 0-0 0.991 16.10 0.2 97 96 94 98 307 26.5 8.526 0.002 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN EXBLK1-N1004 Contamination triHydroxy-Benzene 16.1565 1652.7 2.7 scans 71% TIC 3.2% 0.0110% 957 1.1 74 8606 0.176% 49987 49987 796426 0-0 0.979 15.90 17.9 82 77 66 94 342 37.5 25.594 0.259 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6174 1684.7 3.1 scans 79% TIC 5.7% 0.0167% 1001 1.5 68 4814 0.0398% 75789 75789 180101 0-0 0.981 16.68 -4.1 94 95 88 95 497 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9267 1706.6 2.7 scans 75% 217 m/z 4.3% 0.0252% 1030 1.2 81 6344 0.0726% 114139 114139 328526 0-0 12: 217 319 205 103 307 218 204 129 320 308 148 189 0.984 16.99 -4.5 92 92 88 92 422 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9994 1711.9 3.2 scans 79% 305 m/z 2.1% 0.0405% 1037 1.4 96 12837 0.120% 183691 175916 543018 0-2 16: 305 73 217 147 205 306 319 307 103 189 129 204 308 148 74 320 0.971 17.06 -4.6 84 84 82 84 510 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1098 UNKp_Cas 17.1min 1723 17.1004 1719.2 2.8 scans 72% 73 m/z 4.0% 0.0129% 1047 1.2 58 6807 0.0278% 58476 55549 125799 0-2 8: 73 392 302 89 276 59 163 393 0.989 17.16 -4.2 81 76 37 92 436 5.4 0.842 -0.058 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1044 Putrescine 17.1887 1725.7 2.7 scans 66% 174 m/z (73) 3.3% 0.0110% 1055 1.1 54 8320 49963 49963 1-0 7: 174 175 172 176 86 214 200 0.946 17.19 0.1 87 90 86 90 376 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1096 Putrescine 17.1887 1725.7 2.7 scans 56% 174 m/z 3.3% 0.00925% 1055 1.1 49 8333 41896 41896 1-0 7: 174 175 172 176 86 214 200 1.000 17.25 -4.3 92 92 91 92 458 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3792 1739.6 2.8 scans 53% 292 m/z (345) 4.4% 0.0202% 1073 1.2 71 6215 91473 91473 0-0 9: 292 333 307 103 217 335 293 334 294 0.929 17.44 -4.7 90 93 85 93 511 4.2 0.353 -0.064 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5654 1753.2 2.7 scans 94% TIC 0.19% 0.287% 1091 0.9 276 144758 0.442% 1300858 1185270 2000115 4-1 0.999 17.63 -4.8 93 91 94 94 450 25.1 0.826 -0.067 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1088 Glutamine?? 17.6549 1759.7 >3 scans 71% TIC 3.0% 0.0408% 1099 1.3 96 9176 0.661% 184643 184643 2991122 0-0 0.989 17.73 -5.2 86 86 85 86 511 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7012 1763.1 2.9 scans 82% 73 m/z 0.67% 0.190% 1104 0.7 206 40775 0.252% 861074 724411 1140337 2-0 20: 73 334 204 256 129 147 335 257 217 255 375 75 336 205 183 167 285 149 133 267 0.990 17.70 0.2 98 98 96 97 375 25.6 1.545 0.002 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1086 Fructofuranose 18.0663 1789.7 2.9 scans 72% 217 m/z (292) 1.0% 0.0959% 1139 1.1 146 26366 0.201% 434411 423786 909555 0-2 14: 217 437 438 218 439 257 219 230 303 291 169 141 435 258 0.980 18.13 -4.9 94 95 93 97 437 41.7 8.186 -0.068 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1084 Shikimic acid 18.1305 1794.4 2.7 scans 18% 204 m/z (231) 0.99% 0.0378% 1145 0.8 92 27768 0.0534% 171254 152385 241643 4-2 12: 204 255 254 357 372 462 373 267 447 359 356 283 0.921 18.20 -4.8 87 89 77 94 462 10.8 1.386 -0.067 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1046 Shikimic acid 18.1305 1794.4 2.7 scans 37% 204 m/z (217) 1.0% 0.0742% 1145 0.8 129 27139 0.104% 335883 298874 470615 4-2 12: 204 255 254 357 372 462 373 267 447 359 356 283 0.780 18.13 0.4 87 91 82 97 372 13.7 1.130 0.005 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1048 Citric acid 18.2493 1803.2 2.6 scans 30% 273 m/z 6.0% 0.0126% 1156 1.1 59 4572 57086 57086 1-0 7: 273 363 465 274 375 211 275 0.820 18.24 0.4 87 89 55 90 465 11.1 3.535 0.005 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5966 1829.7 4.4 scans 86% 204 m/z 0.66% 0.207% 1189 1.0 186 41265 0.234% 939943 934986 1058884 1-1 18: 204 218 191 319 219 189 304 305 320 192 201 448 332 306 321 193 537 172 0.928 18.67 -5.6 93 92 92 95 319 30.9 2.742 -0.072 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1076 Pregnane?? 18.8102 1846.0 3.7 scans 100% 537 m/z 0.010% 9.44% 1209 0.4 1353 2553980 42725501 42107318 1-0 20: 537 462 437 245 538 539 463 358 448 464 449 268 540 318 293 170 371 233 253 153 0.998 18.86 -3.7 100 100 100 100 537 104.1 0.596 -0.048 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1050 Fructose 18.9691 1858.1 5.3 scans 97% 73 m/z 0.040% 4.45% 1224 1.6 799 672896 20175348 19645581 1-1 20: 73 307 217 103 147 308 277 218 133 309 364 205 117 74 189 219 89 104 148 75 0.999 18.98 -0.9 100 99 99 100 364 89.9 1.271 -0.011 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1072 Fructose 18.9691 1858.1 5.3 scans 77% 73 m/z (264) 0.040% 3.62% 1224 1.6 713 687716 16413755 15982760 1-1 20: 73 307 217 103 147 308 277 218 133 309 364 205 117 74 189 219 89 104 148 75 0.965 19.03 -4.9 87 91 88 89 364 63.6 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1052 Fructose 19.1195 1869.6 6.8 scans 92% 217 m/z 0.071% 3.08% 1239 0.6 599 385149 7.53% 13947104 13818477 34074355 1-1 20: 217 307 103 308 218 277 309 364 74 117 205 262 104 219 75 278 263 105 72 365 0.985 19.10 1.2 100 99 99 99 364 66.1 1.222 0.016 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1068 Galactopyranose 19.2321 1878.2 >3 scans 87% 204 m/z 0.13% 0.543% 1249 1.0 363 209985 20.7% 2459207 2459207 93670539 0-0 20: 204 73 191 147 205 217 192 206 129 218 193 74 435 231 117 133 148 219 291 75 0.999 19.32 -6.3 98 96 95 99 435 28.1 0.599 -0.083 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1056 Glucose 19.3458 1886.9 >6 scans 81% 204 m/z 0.013% 11.8% 1260 0.3 1382 2110627 29.8% 53597777 53597777 134849375 0-0 18: 204 322 274 232 119 290 292 276 278 366 256 247 323 377 152 242 379 420 1.000 19.33 1.1 100 99 98 99 364 101.4 0.541 0.014 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1064 Mannose 19.3815 1889.6 9.2 scans 95% TIC 0.012% 29.2% 1264 0.2 1585 2296085 29.6% 132559711 128206571 133944346 1-1 0.998 19.45 -5.6 100 99 98 99 319 613.1 15.020 -0.073 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1059 Glucose 19.5835 1905.3 3.2 scans 96% 73 m/z 0.015% 8.42% 1283 0.5 1345 1740335 38120908 35540247 1-1 20: 73 319 205 147 160 320 103 217 321 206 133 117 74 229 129 157 189 207 148 204 0.999 19.55 2.6 100 99 99 100 376 56.4 0.176 0.032 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN N406_R~2-N1016 Galacturonic acid 19.7866 1921.6 2.7 scans 18% 333 m/z 9.2% 0.00378% 1302 1.1 32 2991 17140 17140 0-0 2: 333 334 0.789 19.79 -0.5 87 91 80 90 423 5.4 2.870 -0.006 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN BRA4_R~2-N1010 Tyrosine 19.8234 1924.6 3.0 scans 30% 218 m/z 6.1% 0.00855% 1305 1.1 43 4477 0.00974% 38725 34928 44075 2-0 4: 218 280 100 220 0.860 19.82 0.5 85 88 77 90 382 0.0 0.000 0.005 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1056 Ascorbic acid 19.9129 1931.7 3.4 scans 82% TIC 1.4% 0.0724% 1314 0.5 120 18914 0.119% 327961 326542 538492 0-1 0.985 19.99 -6.0 97 97 93 97 449 13.0 1.169 -0.073 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2990 1962.8 2.4 scans 97% 204 m/z 0.054% 1.13% 1351 0.8 575 503403 5142813 5128983 1-0 20: 204 73 191 147 205 217 206 192 129 189 218 74 133 103 148 193 75 117 305 231 1.000 20.41 -9.2 100 99 99 99 217 124.1 4.673 -0.115 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1052 Gluconic acid 2 20.5200 1980.5 2.9 scans 79% 73 m/z 1.4% 0.0736% 1372 0.6 137 18446 0.223% 333260 333260 1009108 0-0 20: 73 292 319 333 205 147 305 217 293 320 103 433 359 277 334 435 321 294 307 117 0.980 20.60 -6.2 92 92 91 92 613 3.9 0.081 -0.077 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6858 2077.6 3.5 scans 98% 305 m/z 0.017% 9.64% 1483 0.4 1392 1558987 43640254 42676579 1-1 20: 305 217 318 73 147 191 306 319 265 204 307 218 432 320 433 367 129 133 291 148 0.999 21.75 -5.3 100 100 100 100 507 114.0 0.674 -0.063 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8763 2093.6 3.4 scans 91% 319 m/z 1.0% 0.119% 1501 1.2 154 26248 542933 511187 2-2 17: 319 73 205 320 147 321 103 217 206 74 117 229 89 157 149 277 173 0.997 21.93 -4.5 96 95 94 96 656 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1940 2121.1 2.7 scans 94% TIC 0.26% 0.316% 1531 1.1 291 104437 0.331% 1432225 1410575 1497824 2-1 0.990 22.19 0.6 98 97 95 98 396 130.8 20.221 0.008 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6875 2164.2 3.2 scans 67% 204 m/z 9.8% 0.00532% 1578 1.2 34 2800 0.0148% 24099 22142 66972 1-0 2: 204 205 0.940 22.71 -2.3 86 88 78 87 518 0.0 0.000 -0.026 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1353 2294.9 2.8 scans 91% 204 m/z 2.1% 0.0293% 1715 1.1 86 12790 133004 133004 0-0 16: 204 73 217 337 205 147 103 129 219 218 191 361 338 74 148 203 0.995 24.01 11.4 94 93 92 94 490 0.0 0.000 0.125 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5365 2529.3 3.1 scans 84% TIC 8.1% 0.0130% 1944 1.3 55 3395 59268 57926 1-1 0.946 26.57 -3.8 89 90 71 90 512 23.3 17.681 -0.037 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1014 Sucrose 27.3919 2618.2 3.5 scans 97% 361 m/z 0.0096% 9.57% 2025 0.6 1412 2855770 43326938 41779960 1-1 20: 361 73 362 217 437 363 147 271 103 451 438 129 169 218 319 243 191 439 452 364 1.000 27.49 -10.5 100 100 99 100 437 290.1 4.256 -0.098 G:\GCMS data\Nicotiana Panel polar\B MN_REP2.FIN LQC1-N1006 Trehalose 28.3778 2724.7 4.3 scans 83% 361 m/z 9.2% 0.0163% 2119 0.7 46 2975 0.0191% 73804 73804 86430 0-0 6: 361 73 217 362 363 205 0.987 28.47 -10.2 80 79 62 87 565 0.0 0.000 -0.090 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN EXBLK5S-N1006 Contamination 6.5973 1061.7 2.9 scans 66% 207 m/z 1.6% 0.0242% 49 1.4 93 18020 0.0866% 187306 152007 669812 5-5 10: 207 73 295 208 209 191 296 297 279 189 0.975 6.63 -1.6 98 98 93 97 295 28.6 9.503 -0.028 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.8015 1073.8 11.4 scans 36% 117 m/z 10% 0.00797% 68 0.4 40 2832 0.0219% 61696 61696 169387 0-0 2: 117 191 0.938 6.82 -1.1 90 91 91 92 295 2.6 0.000 -0.020 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1194 Alanine 7.3886 1108.6 9.0 scans 80% 116 m/z 1.1% 0.0795% 124 1.0 104 26668 0.0865% 615373 557847 669038 0-13 1: 116 0.994 7.40 -0.9 96 96 95 96 283 0.0 0.000 -0.015 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN A-KETO~2-N1006 Contamination?? 7.9073 1139.3 2.7 scans 69% 156 m/z 5.2% 0.00703% 173 1.2 57 5607 54442 51799 7-0 5: 156 75 55 54 157 0.970 7.96 -2.9 96 97 92 98 156 30.2 28.404 -0.050 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1192 Contamination 7.9904 1144.2 2.7 scans 72% 147 m/z 6.1% 0.00849% 181 1.1 63 4809 0.0143% 65674 62999 110604 2-0 14: 147 73 152 220 133 235 103 59 148 72 100 146 89 86 0.982 7.99 0.0 88 89 85 89 235 11.4 3.272 0.001 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN WTF2-N1026 Cadaverine NC 8.1872 1155.9 3.3 scans 68% 174 m/z 4.2% 0.0106% 200 1.2 56 6946 0.0190% 82328 58403 146956 0-6 11: 174 175 73 86 142 216 160 130 100 59 176 0.975 7.74 26.7 94 95 89 97 216 12.6 4.980 0.451 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1188 Contamination 8.3777 1167.2 4.8 scans 87% 281 m/z 1.8% 0.0362% 218 1.5 100 15651 0.0491% 280510 280510 379766 0-0 14: 281 369 147 73 283 249 370 265 371 207 191 284 148 193 0.993 8.41 -2.2 99 98 86 99 369 29.0 8.503 -0.037 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1190 Contamination 8.4450 1171.2 2.8 scans 66% 73 m/z 4.2% 0.00956% 224 1.0 65 7020 0.0249% 74011 71361 192590 0-4 10: 73 140 211 198 77 126 69 70 186 74 0.969 8.48 -2.3 89 88 86 93 309 6.5 1.000 -0.039 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1186 Phosphate 8.5439 1177.1 2.5 scans 40% 241 m/z 4.9% 0.00496% 234 1.3 48 5985 38363 38363 0-1 7: 241 242 163 211 133 243 256 0.689 8.56 -0.9 84 82 69 94 299 0.0 0.000 -0.017 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1184 Valine 9.1679 1213.9 3.5 scans 83% 144 m/z 1.3% 0.0284% 293 0.7 97 22619 0.0314% 219870 200567 242865 5-3 9: 144 73 218 145 219 100 146 74 59 0.993 9.19 -1.1 99 98 96 98 218 28.6 8.758 -0.020 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1180 Benzoic acid 9.7360 1247.1 3.2 scans 76% 179 m/z 4.6% 0.0107% 347 1.1 61 6418 83277 78909 2-7 6: 179 105 135 77 180 194 0.923 9.76 -1.4 93 92 87 97 194 9.0 2.136 -0.023 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1178 Ethanolamine 9.9959 1262.3 4.1 scans 91% TIC 0.78% 0.0585% 372 0.8 131 37559 0.874% 452543 434635 6759996 1-0 0.997 10.03 -2.2 99 99 98 99 262 14.0 1.140 -0.038 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN VEN77_S6-N1002 Glycerol 10.0759 1267.0 2.8 scans 89% TIC 0.045% 0.750% 379 1.4 553 655231 5803741 5579711 1-1 0.956 10.09 -1.0 100 99 98 100 299 326.6 34.988 -0.018 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LACTIC~1-N1034 Glycerol 10.0970 1268.2 3.6 scans 54% 205 m/z (299) 0.36% 0.190% 381 0.8 245 79944 0.205% 1469769 1372733 1585583 1-3 11: 205 117 218 206 175 204 129 101 220 217 293 0.961 10.11 -0.8 94 95 93 98 293 15.0 0.374 -0.013 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2390 1276.5 2.6 scans 89% 73 m/z 1.4% 0.0214% 395 1.1 97 20227 166140 161071 0-2 14: 73 198 77 211 70 199 74 239 381 212 289 200 72 92 0.987 10.24 -0.1 97 97 94 97 381 10.2 1.112 -0.001 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1176 Isoleucine 10.4315 1287.8 3.0 scans 52% 158 m/z 1.5% 0.0129% 413 1.1 72 18932 0.0236% 100115 94374 182535 2-0 8: 158 218 159 232 219 160 220 128 0.907 10.46 -1.6 93 94 67 93 260 6.7 0.872 -0.027 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1012 Proline 10.5241 1293.2 2.8 scans 96% 142 m/z 0.026% 0.986% 422 0.6 622 1116776 1.21% 7629288 7021581 9358804 5-0 20: 142 73 143 147 216 144 72 74 75 59 66 217 133 148 218 100 244 70 131 101 0.998 10.53 -0.6 99 98 98 100 216 114.2 3.387 -0.009 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1014 Maleic acid 10.5936 1297.3 2.7 scans 93% 147 m/z 0.11% 0.261% 428 0.9 350 266441 1.46% 2022305 2022305 11292441 0-0 20: 147 73 245 148 75 149 83 133 74 246 115 143 59 126 84 170 58 247 54 53 0.996 10.60 -0.5 99 98 98 99 245 81.8 5.483 -0.008 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1170 Glycine 10.6525 1300.8 3.1 scans 73% 174 m/z 0.81% 0.0354% 434 0.9 132 36179 0.543% 274359 274359 4199860 0-0 18: 174 73 248 175 86 100 133 276 176 249 59 250 130 177 277 117 131 87 0.993 10.69 -2.0 94 93 90 93 276 20.4 2.389 -0.034 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7367 1305.8 2.9 scans 94% 147 m/z 0.036% 0.934% 442 1.1 601 800590 1.44% 7224851 6787698 11137750 7-1 20: 147 73 76 251 148 149 58 132 74 252 133 177 176 150 59 118 62 72 253 146 0.973 10.76 -1.3 99 98 98 100 251 139.3 5.386 -0.021 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1168 Glyceric acid 11.0302 1323.5 2.4 scans 95% 73 m/z (184) 0.038% 1.49% 470 0.6 822 776629 11542076 10550810 1-1 20: 73 147 292 189 133 205 293 103 307 190 102 117 148 75 294 74 149 59 191 101 1.000 11.05 -1.4 99 100 99 100 292 258.5 9.903 -0.024 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1018 Uracil 11.1365 1329.9 2.6 scans 72% 241 m/z 6.0% 0.00720% 480 1.2 58 4882 55742 55308 0-2 8: 241 255 99 256 242 113 183 100 0.925 11.15 -0.7 95 94 87 99 256 19.4 11.162 -0.011 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1162 Fumaric acid 11.3585 1343.3 2.4 scans 96% 245 m/z 0.14% 0.219% 501 1.0 331 208695 1701070 1624359 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 74 84 155 115 53 59 157 61 58 1.000 11.39 -2.0 100 99 99 100 245 184.3 30.979 -0.034 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4553 1349.1 3.1 scans 50% 57 m/z (84) 1.5% 0.0265% 510 1.3 98 18868 0.0395% 205132 201326 305515 2-0 14: 57 97 145 115 55 69 56 127 109 111 71 129 128 98 0.981 11.45 0.6 85 83 93 97 145 26.6 7.312 0.009 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4659 1349.7 3.0 scans 48% 84 m/z (57) 1.0% 0.0304% 511 1.4 107 26965 0.0461% 235134 225325 356563 4-0 18: 84 133 162 161 92 119 78 82 51 85 118 63 91 104 64 105 67 93 0.957 10.96 30.7 80 83 89 92 161 27.9 6.839 0.510 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1160 Serine 11.5058 1352.1 2.6 scans 95% TIC 0.19% 0.249% 515 0.9 336 150551 0.286% 1927963 1801735 2212081 0-1 0.997 11.56 -3.1 100 99 98 99 306 34.8 1.073 -0.051 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN BRA4_R~2-N1008 Thymine 11.5900 1357.2 2.7 scans 70% 255 m/z 5.1% 0.00445% 523 1.3 44 5790 34466 32964 1-1 6: 255 256 270 257 271 269 0.941 11.58 0.4 98 98 89 99 270 15.0 11.331 0.006 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1024 Threonine 11.9141 1376.7 2.5 scans 94% 73 m/z 0.49% 0.108% 554 1.0 225 59682 842679 760254 1-7 20: 73 218 219 117 291 292 147 101 220 57 100 74 75 203 133 128 293 129 132 221 0.997 11.92 -0.4 100 99 99 100 320 20.0 0.793 -0.007 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1148 Glutamine?? 13.2977 1462.8 2.9 scans 95% TIC 0.20% 0.172% 685 0.7 267 143876 1331458 1311712 1-1 0.991 13.35 -3.1 99 98 98 99 257 20.3 0.577 -0.049 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1146 Malic acid 13.5660 1479.7 3.2 scans 99% 73 m/z 0.016% 3.72% 711 0.5 1157 1763263 28842703 28829097 1-0 20: 73 147 233 245 133 189 190 148 75 191 175 335 74 55 101 149 234 265 59 217 0.999 13.62 -3.1 100 100 99 100 350 30.5 0.070 -0.051 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1144 Contamination Parabanica acid 13.7512 1491.3 >4 scans 59% TIC 7.3% 0.00469% 728 0.9 56 3999 2.30% 36307 36307 17789462 0-0 0.915 13.81 -3.5 92 93 77 93 243 24.2 18.732 -0.055 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0206 1508.7 2.5 scans 32% 232 m/z (73) 0.61% 0.0453% 754 1.1 147 48191 350376 339806 1-2 17: 232 233 218 100 234 202 188 216 130 204 203 174 220 101 292 334 235 0.919 14.02 0.2 93 94 91 98 258 5.7 0.000 0.004 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1140 Aspartic acid 14.0332 1509.6 3.7 scans 63% 73 m/z (156) 0.31% 0.165% 755 0.9 231 94249 1277339 1253348 1-1 17: 73 147 75 74 148 85 260 70 93 115 60 56 98 87 113 68 53 0.979 14.09 -3.5 93 94 95 96 349 9.8 0.180 -0.054 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0332 1509.6 3.7 scans 84% 73 m/z 0.22% 0.212% 755 0.9 266 131640 1639987 1609186 1-1 17: 73 147 75 74 148 85 260 70 93 115 60 56 98 87 113 68 53 0.876 14.03 0.3 99 98 99 100 258 49.3 3.454 0.003 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0385 1509.9 2.9 scans 89% 156 m/z 0.19% 0.174% 756 0.8 267 153682 1350296 1293860 1-1 18: 156 157 230 258 158 259 140 231 72 58 121 112 55 154 86 214 66 84 0.980 14.11 -4.8 99 98 97 99 273 10.2 0.146 -0.072 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN BRA4_R~2-N1002 4-Hydroxy Proline 14.1164 1515.1 2.3 scans 29% 230 m/z 15% 0.00111% 763 1.0 24 1963 8649 8649 0-0 2: 230 140 0.809 14.11 0.3 83 89 69 99 230 17.9 56.611 0.004 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1032 GABA 14.1889 1519.9 2.6 scans 96% 174 m/z 0.17% 0.229% 770 1.0 327 164986 1772990 1695144 1-3 20: 174 73 304 147 175 305 75 86 176 59 143 216 306 172 100 246 133 130 148 74 0.999 14.19 0.1 100 99 99 99 304 99.1 9.199 0.001 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3605 1531.3 3.0 scans 83% TIC 2.6% 0.0197% 786 1.2 88 11015 0.239% 152368 139383 1848557 0-2 0.984 14.62 -17.3 94 94 90 94 409 5.6 0.405 -0.261 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6256 1548.8 2.7 scans 97% 73 m/z 0.038% 1.54% 812 0.6 818 761822 11970289 11320987 1-1 20: 73 292 147 220 205 217 293 117 294 103 221 148 319 133 74 291 149 75 102 206 1.000 14.69 -4.4 100 99 99 100 409 64.3 0.619 -0.066 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7414 1556.5 3.0 scans 88% 174 m/z 0.30% 0.131% 823 1.0 226 95638 1016079 984081 1-1 20: 174 73 175 86 176 91 250 100 59 130 65 74 251 117 131 162 144 116 87 158 0.963 14.16 38.2 90 92 90 99 250 41.3 3.345 0.576 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1126 Pyrazine 15.0728 1578.5 2.6 scans 80% TIC 2.5% 0.0202% 854 1.2 99 11568 156705 153313 0-1 0.934 15.13 -3.9 94 94 89 96 344 29.6 8.993 -0.059 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3853 1599.2 2.8 scans 79% 217 m/z 0.78% 0.0423% 884 1.0 128 37527 0.0482% 327748 231987 372805 0-5 11: 217 73 219 215 133 129 333 305 216 243 284 0.976 15.44 -3.8 97 97 94 97 393 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1036 Glutamic acic 15.5031 1607.4 2.5 scans 68% 246 m/z 4.6% 0.00654% 895 1.0 58 6407 50619 50619 0-0 7: 246 128 247 248 348 230 156 0.975 15.50 -0.0 97 96 93 99 363 6.4 1.223 0.000 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1118 Phenylalanine 15.6042 1614.4 2.9 scans 80% 218 m/z (267) 1.9% 0.0283% 905 1.2 106 15152 219501 217871 0-2 10: 218 192 100 219 220 91 266 65 132 130 0.976 15.66 -3.8 92 93 91 95 294 7.7 0.527 -0.055 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1038 Xylose 15.8924 1634.4 3.3 scans 77% 73 m/z 2.2% 0.0249% 932 1.7 92 12890 0.0537% 192589 191961 415345 1-1 15: 73 217 103 307 308 147 218 189 277 160 89 219 133 104 148 0.950 15.89 0.2 92 90 90 96 307 23.1 6.279 0.002 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1040 Xylose 16.0082 1642.4 2.8 scans 91% 73 m/z 0.60% 0.0855% 943 1.1 197 49229 661497 617229 1-1 20: 73 103 217 307 147 189 160 308 218 204 74 277 133 205 309 75 104 117 105 89 0.997 16.00 0.3 97 95 97 99 307 53.6 7.426 0.004 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1042 Ribose 16.1061 1649.2 2.7 scans 84% 73 m/z 1.3% 0.0382% 952 1.3 130 22334 0.196% 295935 279859 1515972 1-1 19: 73 103 217 307 147 308 277 189 74 218 309 104 89 133 160 117 205 105 219 0.995 16.10 0.2 96 94 96 99 307 37.3 8.243 0.003 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1110 Ribose 16.3217 1664.2 2.8 scans 53% 103 m/z 2.5% 0.0150% 973 0.8 78 11493 0.0158% 116442 108876 122206 4-1 9: 103 307 308 160 277 309 189 89 104 0.800 16.38 -3.8 90 94 79 93 467 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6185 1684.8 4.3 scans 82% TIC 2.6% 0.0305% 1001 2.3 100 11009 0.0545% 236608 232220 421533 1-0 0.983 16.68 -4.0 97 97 93 97 497 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9373 1707.3 4.3 scans 70% TIC 2.7% 0.0208% 1031 1.2 94 10710 0.158% 160893 160893 1222059 0-0 0.969 16.99 -3.8 91 91 89 92 422 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0004 1711.9 3.9 scans 81% TIC 1.4% 0.0491% 1037 1.5 128 20051 0.184% 380347 380347 1423157 0-0 0.969 17.06 -4.6 88 87 85 87 510 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1096 Putrescine 17.1898 1725.8 2.9 scans 60% 174 m/z 1.9% 0.0119% 1055 1.1 70 14917 92228 89299 1-1 7: 174 175 214 172 176 200 86 0.996 17.25 -4.2 94 93 92 97 458 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3824 1739.8 3.3 scans 74% 73 m/z 2.7% 0.0219% 1074 1.4 94 10745 0.0772% 170015 170015 597107 0-0 13: 73 333 292 103 147 307 217 334 293 277 319 393 74 0.975 17.44 -4.5 95 96 91 96 511 6.8 0.522 -0.061 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5686 1753.4 2.8 scans 94% 217 m/z 0.11% 0.333% 1091 1.0 371 254348 0.404% 2581561 2384698 3124758 5-1 20: 217 73 218 147 219 75 74 230 215 189 244 103 129 133 216 450 149 130 148 220 1.000 17.63 -4.6 93 91 94 94 450 32.1 0.748 -0.063 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7054 1763.4 2.9 scans 44% 334 m/z (319) 2.1% 0.0491% 1104 1.2 136 14001 380509 356126 2-2 14: 334 204 256 335 255 375 336 167 183 166 267 211 151 376 0.975 17.70 0.5 87 89 80 89 375 20.0 2.155 0.006 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1084 Shikimic acid 18.1347 1794.7 3.0 scans 35% 204 m/z 0.53% 0.0499% 1145 1.1 141 55698 386675 369200 2-1 19: 204 255 357 254 372 462 331 195 447 282 358 359 167 267 283 373 256 265 181 0.563 18.20 -4.5 92 95 77 97 462 14.3 1.029 -0.062 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1046 Shikimic acid 18.1347 1794.7 3.0 scans 80% 204 m/z (145) 0.53% 0.117% 1145 1.1 214 55666 906077 865128 2-1 19: 204 255 357 254 372 462 331 195 447 282 358 359 167 267 283 373 256 265 181 0.994 18.13 0.7 88 86 87 98 372 19.6 0.842 0.010 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1048 Citric acid 18.2494 1803.2 2.9 scans 48% 273 m/z (370) 3.8% 0.0165% 1156 1.1 83 7601 127937 127937 1-0 10: 273 347 363 375 274 275 465 466 211 376 0.975 18.24 0.4 94 96 91 97 465 12.8 2.347 0.005 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1076 Pregnane?? 18.8197 1846.7 6.2 scans 100% 537 m/z 0.010% 10.0% 1210 0.3 1433 2814066 77562181 74838078 1-1 15: 537 462 332 337 69 540 65 211 423 308 226 126 552 451 409 1.000 18.86 -3.0 100 100 99 100 537 103.3 0.522 -0.038 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1074 Adenine 18.8870 1851.9 3.7 scans 15% 264 m/z 7.3% 0.00223% 1217 1.5 32 4029 0.0580% 17253 17253 448604 0-0 3: 264 279 265 1.000 18.94 -4.0 89 90 76 90 415 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1072 Fructose 18.9796 1858.9 7.4 scans 95% 73 m/z 0.028% 5.67% 1225 2.2 1006 1037067 9.86% 43896351 41001018 76262651 1-0 20: 73 307 217 103 147 308 218 277 133 309 364 74 117 189 205 219 104 148 172 89 1.000 19.03 -4.1 100 98 99 100 364 114.3 1.298 -0.053 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1052 Fructose 19.1469 1871.7 9.4 scans 92% 73 m/z 0.045% 4.08% 1241 0.6 786 642367 26.5% 31578551 30956856 204965543 0-1 20: 73 217 307 103 147 218 277 309 364 205 89 262 117 148 104 75 191 434 278 129 1.000 19.10 3.3 100 99 99 100 364 88.6 1.273 0.043 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1068 Galactopyranose 19.2374 1878.6 >4 scans 48% 204 m/z (319) 0.54% 0.0745% 1250 1.3 172 54512 3.02% 576425 576425 23358337 0-0 9: 204 191 192 206 435 361 129 193 436 0.993 19.32 -5.9 92 93 91 95 435 14.4 0.698 -0.078 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1066 Glucose 19.3605 1888.0 14.5 scans 31% 319 m/z (73) 0.013% 8.31% 1262 1.3 883 2245401 9.00% 64328315 61347782 69610939 1-0 10: 319 322 307 300 172 158 344 323 259 402 0.816 19.40 -2.9 82 87 48 85 319 604.6 47.161 -0.039 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1064 Mannose 19.3657 1888.4 14.5 scans 97% 320 m/z 0.012% 26.1% 1262 1.2 1553 2278147 201977720 197290238 1-1 16: 320 321 291 201 274 292 233 306 192 243 234 376 302 174 264 332 0.995 19.45 -6.8 100 99 98 100 319 609.0 15.432 -0.089 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1056 Glucose 19.3815 1889.6 13.8 scans 68% 160 m/z (205) 0.012% 16.8% 1264 0.6 1308 2390129 19.2% 130538512 124028028 148503337 1-0 8: 160 217 229 189 131 134 172 186 0.945 19.33 3.8 86 89 70 87 364 98.3 0.567 0.050 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1059 Glucose 19.6246 1908.6 4.5 scans 95% 73 m/z 0.012% 8.80% 1287 0.3 1556 2300473 68080953 64297377 1-1 20: 73 319 205 147 160 103 320 217 321 206 133 117 74 229 129 157 148 161 189 89 0.999 19.55 5.9 100 99 98 99 376 63.9 0.169 0.073 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7467 1918.4 12.8 scans 53% TIC 2.4% 0.0146% 1298 1.3 94 12289 0.110% 113100 113100 850800 0-0 0.920 19.79 -3.5 82 84 78 83 434 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN N406_R~2-N1016 Galacturonic acid 19.7950 1922.3 2.5 scans 24% 333 m/z 4.2% 0.00676% 1303 1.0 56 6993 0.0203% 52303 47352 157011 2-1 4: 333 334 335 364 0.884 19.79 0.2 91 90 80 96 423 7.2 1.661 0.002 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN BRA4_R~2-N1010 Tyrosine 19.8371 1925.7 >2 scans 35% TIC 2.8% 0.00377% 1307 0.9 72 10220 0.0727% 29202 29202 562302 0-0 0.919 19.82 1.6 86 84 80 95 382 6.7 0.869 0.019 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1056 Ascorbic acid 19.9276 1932.9 3.2 scans 69% 332 m/z 1.3% 0.0466% 1315 0.9 133 21128 0.0521% 360751 358745 402970 1-1 10: 332 117 374 359 449 331 375 215 303 450 0.982 19.99 -4.8 96 96 93 96 449 14.5 1.190 -0.058 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2970 1962.6 2.6 scans 94% 204 m/z 0.16% 0.268% 1351 1.1 350 180526 2077576 2028949 1-1 20: 204 73 191 147 217 205 192 206 129 218 189 74 133 103 193 75 148 117 291 149 0.998 20.41 -9.4 99 98 98 99 217 76.9 4.841 -0.117 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1052 Gluconic acid 2 20.5211 1980.6 3.1 scans 87% 73 m/z (214) 0.62% 0.126% 1372 0.5 207 46958 0.182% 977064 977064 1407688 0-0 20: 73 292 319 147 333 205 293 217 320 294 103 433 359 277 334 435 321 307 74 306 0.983 20.60 -6.1 93 94 95 95 613 5.2 0.062 -0.076 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1050 Gluconic acid 20.5737 1984.9 2.9 scans 45% 333 m/z 9.6% 0.00647% 1377 1.1 54 3070 0.0792% 50084 49212 612576 0-1 3: 333 292 305 0.910 20.65 -6.0 82 84 72 83 613 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.7079 2079.5 5.4 scans 97% 305 m/z 0.014% 10.7% 1485 0.3 1620 2080756 82924502 81605304 0-1 20: 305 73 217 318 147 191 306 319 265 204 218 307 432 133 320 129 433 367 148 219 0.998 21.75 -3.4 100 100 99 100 507 123.3 0.582 -0.041 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8626 2092.5 3.1 scans 94% TIC 0.39% 0.191% 1499 1.1 266 74963 10.7% 1478776 1421609 82759672 3-1 0.998 21.93 -5.6 98 96 97 99 656 6.4 0.058 -0.067 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1993 2121.6 2.9 scans 90% 319 m/z 0.62% 0.111% 1531 1.1 226 47634 0.276% 860478 860478 2134735 0-0 20: 319 205 147 103 320 217 133 321 206 229 148 291 218 173 172 204 129 149 207 157 0.998 22.19 1.1 92 87 84 100 396 85.3 14.252 0.013 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6770 2163.3 3.4 scans 80% 204 m/z 4.1% 0.0104% 1577 1.1 62 7110 0.0261% 80598 71790 201872 2-0 9: 204 73 205 206 217 147 117 249 191 0.989 22.71 -3.2 94 94 91 94 518 0.0 0.000 -0.037 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN BRA4_R~4-N1012 Spermidine 22.9001 2182.8 3.2 scans 55% TIC 37% 0.00163% 1598 1.0 28 783 0.0184% 12681 10037 142316 0-1 0.987 22.90 0.0 86 94 85 94 418 5.0 3.191 0.000 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN WTF2-N1036 C18:0 23.4009 2227.8 3.4 scans 84% 341 m/z 8.7% 0.0104% 1646 1.8 57 3370 0.0117% 80853 76454 90494 0-3 9: 341 117 132 129 342 75 145 55 57 1.000 22.89 46.0 84 91 83 91 356 8.1 2.001 0.512 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1270 2294.1 2.7 scans 94% 204 m/z 0.93% 0.0454% 1715 1.0 140 31490 351237 339847 1-1 20: 204 73 147 217 205 337 103 129 206 338 218 131 219 191 74 361 101 117 133 149 0.996 24.18 -5.0 96 95 94 95 581 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6572 2344.3 3.3 scans 78% 73 m/z 7.8% 0.00911% 1765 0.5 54 3764 0.0127% 70514 68817 98229 1-2 10: 73 217 331 307 191 319 205 147 103 262 0.974 24.65 0.7 86 87 78 87 466 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5323 2528.9 3.0 scans 87% TIC 2.8% 0.0272% 1943 1.4 104 10351 210509 200698 1-3 0.962 26.57 -4.2 96 96 88 96 512 38.0 13.223 -0.041 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1020 Sucrose 27.4045 2619.6 6.7 scans 11% 437 m/z (361) 0.062% 1.44% 2026 0.9 519 476564 11188799 10751539 1-1 20: 437 451 438 439 452 365 440 454 333 206 441 274 183 346 222 76 366 449 467 265 0.523 27.46 -6.0 92 93 77 99 437 278.5 28.850 -0.056 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1014 Sucrose 27.4087 2620.0 6.7 scans 94% 362 m/z 0.0093% 11.4% 2026 0.2 1477 3151585 88341775 85030500 1-1 20: 362 363 364 320 453 365 305 359 321 345 206 119 274 183 87 463 449 265 279 295 0.998 27.49 -8.7 100 100 99 100 437 300.7 4.172 -0.081 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1010 Sucrose 27.4203 2621.3 6.7 scans 97% TIC 0.0091% 12.1% 2028 0.2 1520 3225114 93745509 93740600 1-0 0.999 27.58 -16.9 100 99 98 99 437 298.1 3.875 -0.159 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1018 Sucrose 27.4308 2622.4 6.7 scans 63% 361 m/z (191) 0.0092% 2.36% 2029 2.1 1200 3194808 7.60% 18295188 18295188 58782571 0-0 20: 361 217 271 243 319 331 189 204 230 205 257 229 244 305 321 221 332 345 333 306 0.973 27.47 -4.1 85 87 62 86 437 295.4 6.117 -0.039 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN LQC1-N1006 Trehalose 28.3883 2725.9 >3 scans 71% TIC 7.9% 0.00476% 2120 1.4 44 3718 0.0513% 36888 34571 396782 0-3 0.982 28.47 -9.0 88 88 73 90 565 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel polar\B MN_REP3.FIN GUA35_L1-N1020 Galactinol 30.6685 2987.0 4.0 scans 94% 204 m/z 2.1% 0.0255% 2336 1.6 88 13598 197410 190640 3-2 14: 204 217 205 73 147 191 305 129 433 206 218 103 74 318 0.994 30.55 14.6 83 82 89 83 641 0.0 0.000 0.123 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN EXBLK5S-N1006 Contamination 6.3720 1048.3 4.9 scans 71% TIC 0.84% 0.0396% 27 1.7 120 31956 0.0709% 292483 276644 522958 6-0 0.987 6.63 -15.0 99 98 94 98 295 38.3 10.153 -0.253 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN BRA4_R~4-N1014 Lactic acid 6.8528 1076.8 13.5 scans 31% 147 m/z 8.0% 0.0124% 73 0.3 40 3373 0.0166% 91683 85134 122441 0-3 3: 147 190 117 0.891 6.82 1.9 87 88 87 94 295 2.5 0.000 0.032 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1194 Alanine 7.4347 1111.3 10.9 scans 72% 73 m/z 1.1% 0.0697% 128 0.7 95 24162 0.138% 514185 514185 1017887 0-0 2: 73 190 0.941 7.40 1.8 97 97 93 97 283 4.1 0.188 0.031 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN A-KETO~2-N1006 Contamination?? 7.9429 1141.4 2.8 scans 70% 156 m/z 2.7% 0.0143% 176 1.2 72 9724 0.0184% 105915 93040 135718 9-3 8: 156 75 55 157 61 54 74 76 0.968 7.96 -0.8 98 98 94 98 156 38.8 29.199 -0.014 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1192 Contamination 8.0239 1146.2 2.7 scans 69% 147 m/z 2.9% 0.0147% 184 1.0 82 9053 0.0246% 108948 105980 181449 2-0 17: 147 73 133 220 235 59 146 72 86 148 160 89 100 134 103 131 74 0.930 7.99 2.0 94 94 92 96 235 15.4 3.541 0.035 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN WTF2-N1026 Cadaverine NC 8.2017 1156.8 2.9 scans 63% 174 m/z 3.2% 0.0120% 201 1.2 61 8385 0.0240% 89137 59684 177024 0-8 11: 174 73 142 175 216 86 176 160 100 130 59 0.966 7.74 27.6 94 95 88 98 216 14.4 5.530 0.466 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1188 Contamination 8.3838 1167.6 4.8 scans 78% 281 m/z 2.5% 0.0264% 218 2.0 82 10732 0.0401% 195020 194061 295777 1-0 11: 281 369 147 73 282 370 265 283 371 207 191 0.993 8.41 -1.8 98 98 83 99 369 24.4 8.895 -0.031 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1190 Contamination 8.4795 1173.2 2.9 scans 74% TIC 2.4% 0.0134% 227 1.0 75 10865 0.0572% 99469 99469 421907 0-0 0.976 8.48 -0.3 95 95 90 96 309 8.6 1.334 -0.004 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1186 Phosphate 8.5721 1178.7 2.6 scans 59% 241 m/z 2.6% 0.0108% 236 1.1 67 10137 80206 77249 1-1 8: 241 242 211 133 243 256 135 195 0.809 8.56 0.7 89 87 78 95 299 0.0 0.000 0.011 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1184 Valine 9.1887 1215.1 4.0 scans 75% 144 m/z 1.5% 0.0249% 295 0.6 82 17812 0.0363% 184219 169805 267748 4-6 6: 144 73 218 145 147 146 0.969 9.19 0.1 98 98 91 97 218 25.2 9.485 0.001 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1180 Benzoic acid 9.7558 1248.3 3.2 scans 70% 179 m/z 4.2% 0.0110% 349 0.9 60 6383 81538 76795 1-2 6: 179 105 135 77 180 194 0.866 9.76 -0.2 92 91 87 97 194 9.0 2.252 -0.003 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1178 Ethanolamine 10.0042 1262.8 4.4 scans 84% 174 m/z 0.80% 0.0600% 372 1.3 117 33614 0.270% 442565 360155 1991517 3-0 10: 174 73 175 100 176 86 147 59 114 132 0.995 10.03 -1.7 99 98 97 98 262 12.8 1.198 -0.030 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN VEN77_S6-N1002 Glycerol 10.0968 1268.2 3.0 scans 92% TIC 0.024% 1.24% 381 0.9 674 1093763 9199277 9040874 1-1 0.953 10.09 0.2 100 100 99 100 299 411.0 37.305 0.003 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LACTIC~1-N1034 Glycerol 10.1041 1268.6 3.8 scans 9.0% 147 m/z (299) 0.40% 0.128% 382 0.9 190 66676 0.141% 950256 900974 1040015 1-1 9: 147 103 148 149 177 118 101 203 176 0.578 10.11 -0.4 89 97 60 94 293 14.5 0.578 -0.006 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN A-AMYRIN-N1012 Contamination?? 10.2546 1277.4 2.7 scans 84% 73 m/z 1.1% 0.0255% 396 1.1 103 23410 188249 172453 1-4 15: 73 198 211 77 199 70 74 239 200 381 212 72 289 143 170 0.989 10.24 0.8 98 97 95 97 381 11.0 1.145 0.015 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1176 Isoleucine 10.4429 1288.5 3.2 scans 40% 158 m/z 1.9% 0.0106% 414 0.9 60 13744 0.0210% 78253 77564 154896 1-0 6: 158 218 159 232 160 219 0.968 10.46 -0.9 90 91 66 90 260 5.0 0.708 -0.016 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1012 Proline 10.5345 1293.8 3.0 scans 96% TIC 0.027% 0.968% 423 0.6 565 986083 3.29% 7141035 6473608 24267007 5-0 0.995 10.53 0.0 99 98 98 100 216 105.3 3.497 0.001 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1014 Maleic acid 10.6165 1298.6 2.9 scans 95% 147 m/z 0.040% 0.762% 431 0.6 530 667963 2.31% 5624232 5357482 17038537 0-6 20: 147 73 245 148 75 149 83 133 74 115 246 143 170 59 84 126 58 215 242 247 0.997 10.60 0.8 99 98 98 99 245 126.6 5.713 0.015 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1170 Glycine 10.6681 1301.7 >4 scans 62% TIC 0.91% 0.0217% 435 1.2 114 29565 2.16% 160433 160433 15932138 0-0 0.979 10.69 -1.1 94 94 87 95 276 19.3 2.847 -0.019 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN EXBLK5S-N1002 d4-Succinic acid 10.7565 1307.0 3.1 scans 94% TIC 0.024% 1.45% 444 1.0 684 1124906 3.20% 10732072 10520049 23603168 1-1 0.970 10.76 -0.1 99 98 98 100 251 157.6 5.327 -0.002 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1168 Glyceric acid 11.0406 1324.1 2.5 scans 99% 73 m/z 0.031% 1.74% 471 0.6 858 872968 12900299 12875143 1-0 20: 73 147 292 189 133 205 103 293 117 190 102 148 307 75 74 294 149 191 59 101 1.000 11.05 -0.8 100 99 99 100 292 268.4 9.803 -0.013 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0879 1327.0 2.6 scans 36% 184 m/z 11% 0.00296% 475 1.0 35 2302 0.00394% 21894 21894 29061 0-0 3: 184 285 174 0.944 11.06 1.5 82 84 53 85 285 14.6 17.117 0.025 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1018 Uracil 11.1479 1330.6 2.5 scans 69% 241 m/z 5.6% 0.00714% 481 1.1 57 4820 0.00751% 52683 52683 55394 0-0 7: 241 256 99 255 242 257 113 0.986 11.15 -0.0 95 94 86 99 256 19.2 11.499 -0.000 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1162 Fumaric acid 11.3773 1344.4 2.4 scans 98% TIC 0.039% 0.720% 503 0.7 568 677911 5311831 5278291 1-0 0.998 11.39 -0.9 100 99 98 99 245 323.6 32.579 -0.016 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4657 1349.7 3.4 scans 40% 57 m/z 1.3% 0.0298% 511 1.0 98 19816 0.0730% 220355 211520 538447 1-0 11: 57 97 145 115 69 129 128 71 109 59 87 0.948 11.45 1.2 89 87 92 96 145 29.3 8.883 0.020 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN WTF2-N1024 Contamination 10.96min 11.4804 1350.6 3.0 scans 72% 84 m/z (204) 0.49% 0.0831% 513 1.1 166 55271 613418 573474 1-2 16: 84 161 162 119 92 65 51 82 63 85 78 91 64 105 106 81 0.909 10.96 31.6 83 83 92 99 161 39.2 5.559 0.524 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1160 Serine 11.5151 1352.7 2.6 scans 93% TIC 0.12% 0.424% 516 0.5 380 213731 3130045 2926764 3-1 0.985 11.56 -2.5 100 99 96 99 306 39.4 1.073 -0.042 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1022 Thymine 11.5993 1357.8 2.8 scans 73% 255 m/z 2.1% 0.0111% 524 1.0 66 12536 81936 74519 1-1 7: 255 270 256 257 271 269 120 0.978 11.60 -0.0 99 98 95 99 270 22.0 11.223 0.000 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7382 1366.1 2.7 scans 86% 147 m/z 1.0% 0.0473% 537 1.1 140 25259 0.0499% 349344 310298 368062 1-1 20: 147 73 247 101 148 59 131 103 116 75 102 248 217 87 262 66 189 213 149 133 0.984 11.79 -2.8 84 78 90 96 262 15.5 1.231 -0.047 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1024 Threonine 11.9213 1377.1 2.6 scans 95% 73 m/z 0.40% 0.135% 555 1.1 232 66507 0.140% 998185 975936 1032639 1-2 20: 73 218 219 117 291 292 147 101 220 57 100 74 293 128 203 75 133 202 132 221 0.999 11.92 0.0 100 99 99 100 320 21.5 0.854 0.000 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2839 1461.9 2.9 scans 16% 247 m/z (155) 2.9% 0.0128% 684 1.1 70 9345 95036 92479 1-1 13: 247 248 259 321 349 233 203 189 249 260 221 185 163 0.652 13.31 -1.4 87 93 41 89 349 12.3 3.112 -0.022 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1148 Glutamine?? 13.3049 1463.2 3.0 scans 92% TIC 0.16% 0.209% 686 0.7 277 165970 0.232% 1545113 1444932 1711230 2-1 0.987 13.35 -2.7 99 98 98 99 257 22.5 0.658 -0.042 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1146 Malic acid 13.5858 1480.9 4.1 scans 99% 73 m/z 0.011% 6.42% 713 0.3 1294 2308951 47401214 47340086 1-0 20: 73 147 233 245 133 189 190 148 75 191 175 74 335 101 55 149 234 265 217 59 0.999 13.62 -1.9 100 100 100 100 350 34.6 0.072 -0.031 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1144 Contamination Parabanica acid 13.7637 1492.1 3.9 scans 43% TIC 7.7% 0.00305% 730 1.1 49 3487 2.88% 22525 22525 21242851 0-0 0.769 13.81 -2.7 88 89 65 90 243 22.5 20.977 -0.042 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1140 Aspartic acid 14.0246 1509.0 2.6 scans 47% 232 m/z (156) 0.33% 0.117% 755 1.0 214 81037 865391 820898 1-1 19: 232 233 218 100 202 234 188 216 219 292 334 203 220 130 235 204 349 221 189 0.930 14.09 -4.1 95 97 91 98 349 12.7 0.355 -0.062 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0478 1510.5 4.3 scans 84% TIC 0.12% 0.375% 757 0.6 322 223712 2766596 2674296 1-1 0.968 14.03 1.2 99 98 98 99 258 61.9 3.691 0.018 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1138 Pyroglutamic acid 14.0499 1510.7 2.9 scans 88% 156 m/z 0.10% 0.295% 757 0.8 331 270595 2181959 2080435 1-1 17: 156 157 258 147 230 158 259 231 140 72 58 121 112 86 260 155 66 0.989 14.11 -4.0 100 99 99 99 273 12.9 0.153 -0.060 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1032 GABA 14.1919 1520.1 2.7 scans 94% TIC 0.29% 0.141% 770 1.2 236 92648 0.232% 1043390 1026644 1711230 1-0 0.999 14.19 0.3 100 99 99 99 304 71.2 9.110 0.004 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3634 1531.5 2.5 scans 76% 292 m/z 1.7% 0.0270% 787 1.1 107 15466 199192 195035 1-0 10: 292 220 293 205 294 221 291 206 222 130 0.992 14.62 -17.1 96 95 92 96 409 8.2 0.587 -0.258 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6265 1548.9 2.5 scans 97% TIC 0.033% 1.62% 812 0.6 830 814954 11977568 11300794 1-1 1.000 14.69 -4.3 100 99 99 100 409 65.3 0.621 -0.066 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7433 1556.6 2.8 scans 78% 174 m/z 0.40% 0.0875% 823 1.0 185 67010 645664 628575 1-1 20: 174 86 175 250 176 100 59 130 251 162 117 121 116 87 144 158 101 102 172 85 0.917 14.16 38.3 89 91 88 99 250 34.6 3.504 0.578 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1126 Pyrazine 15.0747 1578.6 2.8 scans 76% TIC 2.6% 0.0189% 854 1.2 88 10103 139577 133595 1-1 0.927 15.13 -3.8 95 94 89 97 344 25.8 8.661 -0.057 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3809 1598.9 2.7 scans 73% 217 m/z 1.1% 0.0220% 883 1.3 105 23564 0.0395% 162271 162271 291352 0-0 11: 217 73 218 219 215 103 74 189 230 129 89 0.957 15.44 -4.1 93 93 92 93 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1120 Glutamic acid 15.5040 1607.4 2.4 scans 74% 246 m/z 2.4% 0.0121% 895 1.0 75 11017 89286 88984 0-1 9: 246 247 128 248 348 230 156 84 363 0.988 15.56 -3.9 95 95 88 95 363 8.6 1.333 -0.056 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1118 Phenylalanine 15.6061 1614.5 2.6 scans 74% 218 m/z (267) 1.8% 0.0255% 905 1.1 100 14806 188575 175745 1-1 8: 218 192 219 266 100 220 132 65 0.992 15.66 -3.7 93 94 92 96 294 6.2 0.383 -0.053 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1040 Xylose 16.0059 1642.3 2.6 scans 91% 73 m/z 0.48% 0.0989% 943 1.0 206 55405 0.130% 730154 694697 958879 3-1 20: 73 103 217 307 147 308 160 204 189 218 277 205 133 309 117 75 104 89 148 105 0.997 16.00 0.2 97 95 96 99 307 56.9 7.632 0.002 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1042 Ribose 16.1038 1649.1 2.8 scans 85% TIC 1.1% 0.0377% 952 0.9 126 22882 0.285% 278330 276538 2102157 1-0 0.989 16.10 0.1 96 94 95 99 307 36.0 8.083 0.001 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6151 1684.6 2.9 scans 85% TIC 1.3% 0.0542% 1001 2.1 130 19961 0.0720% 400208 378265 531071 1-0 0.990 16.68 -4.2 98 98 95 98 497 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9255 1706.5 2.7 scans 66% 217 m/z 3.2% 0.0181% 1030 1.4 89 8436 0.105% 134199 133542 774479 1-0 14: 217 205 307 319 103 218 318 320 129 204 308 189 206 243 0.945 16.99 -4.6 93 94 87 94 422 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9971 1711.7 3.0 scans 89% TIC 0.81% 0.0751% 1037 1.1 169 33102 0.257% 554250 514376 1895629 0-3 0.995 17.06 -4.8 98 97 96 97 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1044 Putrescine 17.1886 1725.7 2.8 scans 73% 174 m/z (73) 1.0% 0.0256% 1055 1.1 98 25725 189483 182103 2-1 11: 174 175 214 176 86 172 200 361 100 130 142 0.983 17.19 0.1 93 92 93 98 376 6.7 0.470 0.001 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1096 Putrescine 17.1886 1725.7 2.8 scans 61% 174 m/z 1.0% 0.0213% 1055 1.1 90 25731 157483 151349 2-1 11: 174 175 214 176 86 172 200 361 100 130 142 0.980 17.25 -4.3 97 96 94 99 458 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3780 1739.5 2.8 scans 63% 292 m/z 3.1% 0.0172% 1073 1.1 82 8526 127322 117472 4-1 10: 292 333 103 217 307 293 334 294 335 308 0.959 17.44 -4.8 94 94 88 93 511 5.9 0.515 -0.065 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5652 1753.2 2.8 scans 91% TIC 0.19% 0.172% 1091 0.9 265 140736 0.296% 1270698 1137248 2183293 0-2 0.999 17.63 -4.8 96 94 95 96 450 28.8 1.181 -0.067 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1088 Glutamine?? 17.6589 1760.0 >3 scans 63% TIC 1.3% 0.0425% 1100 0.9 127 20783 0.450% 313921 313921 3319195 0-0 0.986 17.73 -4.9 84 82 85 86 511 5.7 0.203 -0.067 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7020 1763.1 3.0 scans 71% 73 m/z 0.72% 0.117% 1104 0.6 192 37318 0.185% 865960 649455 1364558 2-0 19: 73 334 204 256 129 147 335 257 255 375 336 75 167 211 149 205 285 166 267 0.978 17.70 0.2 93 93 91 93 375 25.1 1.710 0.003 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1086 Fructofuranose 18.0724 1790.2 >5 scans 71% TIC 1.2% 0.0561% 1139 1.4 115 21370 0.298% 414089 402670 2198045 1-0 0.976 18.13 -4.4 84 83 83 84 437 28.1 5.950 -0.062 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1046 Shikimic acid 18.1324 1794.6 3.5 scans 75% TIC 0.37% 0.158% 1145 1.3 212 73217 0.293% 1172400 908639 2161165 0-2 0.916 18.13 0.6 95 94 92 98 372 23.3 1.209 0.007 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1048 Citric acid 18.2492 1803.2 2.5 scans 44% 273 m/z (370) 2.7% 0.0191% 1156 1.0 91 9915 0.0203% 141030 141030 149733 0-0 13: 273 363 375 347 274 465 211 275 67 466 364 349 377 0.973 18.24 0.4 94 95 89 97 465 15.3 2.835 0.005 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1076 Pregnane?? 18.8163 1846.5 4.5 scans 97% 345 m/z 0.0096% 7.39% 1210 0.4 1385 2802658 54533804 54529522 1-0 20: 345 73 346 255 147 347 334 191 256 204 435 419 372 133 257 74 148 239 348 75 1.000 18.86 -3.2 100 100 99 100 537 103.1 0.557 -0.042 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1074 Adenine 18.8826 1851.5 3.2 scans 17% 264 m/z 6.7% 0.00288% 1216 1.4 32 4001 0.0582% 21305 21305 429283 0-0 3: 264 279 265 0.939 18.94 -4.4 90 92 75 92 415 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1050 Fructose 18.9805 1859.0 5.1 scans 96% 73 m/z (389) 0.023% 5.08% 1225 1.1 1055 1175780 9.06% 37517838 36828787 66826468 1-1 20: 73 307 217 103 147 308 277 218 133 309 364 205 74 189 117 219 104 89 148 75 1.000 18.98 -0.0 99 100 100 100 364 121.8 1.336 0.000 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1072 Fructose 18.9805 1859.0 5.1 scans 97% 73 m/z 0.022% 5.07% 1225 1.1 1062 1186401 9.04% 37442483 36754815 66678948 1-1 20: 73 307 217 103 147 308 277 218 133 309 364 205 74 189 117 219 104 89 148 75 0.999 19.03 -4.0 100 98 99 100 364 122.1 1.327 -0.053 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1052 Fructose 19.1120 1869.0 5.6 scans 96% 277 m/z 0.033% 3.81% 1238 0.9 877 818800 9.07% 28132444 27658780 66900228 0-1 20: 277 309 104 278 173 335 131 172 206 466 231 163 245 556 288 276 146 114 302 330 0.997 19.10 0.6 100 99 99 99 364 101.9 1.352 0.008 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1068 Galactopyranose 19.2351 1878.4 3.6 scans 48% 204 m/z 0.36% 0.100% 1250 1.2 185 74706 1.01% 743556 740532 7449750 1-0 8: 204 191 192 193 203 435 393 436 0.982 19.32 -6.1 97 97 93 97 435 14.8 0.643 -0.080 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1064 Mannose 19.3666 1888.5 7.8 scans 99% 162 m/z 0.011% 15.1% 1262 0.2 1523 2395813 15.4% 112033671 111903889 113590244 1-0 20: 162 308 150 247 333 260 358 54 223 330 345 214 448 271 53 68 480 212 254 152 0.999 19.45 -6.7 100 99 98 99 319 608.3 16.022 -0.088 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1059 Glucose 19.5749 1904.6 3.3 scans 97% TIC 0.018% 4.61% 1282 0.4 1209 1469212 34067920 33776223 2-0 0.997 19.55 1.9 100 99 99 100 376 52.3 0.188 0.023 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1060 Lysine 19.6255 1908.6 3.1 scans 24% 174 m/z 6.8% 0.00808% 1287 1.4 54 3962 0.0794% 59607 54132 585654 0-1 8: 174 317 156 128 230 318 175 86 0.929 19.69 -5.5 84 85 80 88 479 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN N406_R~2-N1016 Galacturonic acid 19.7843 1921.4 2.7 scans 11% 333 m/z 13% 0.00157% 1302 1.0 25 2085 11588 11588 0-0 1: 333 0.906 19.79 -0.7 85 89 79 89 423 0.0 0.000 -0.009 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN BRA4_R~2-N1010 Tyrosine 19.8159 1923.9 2.8 scans 29% 218 m/z 2.2% 0.0102% 1305 1.3 63 12284 0.0118% 75281 68448 87037 1-0 7: 218 280 220 100 179 281 354 0.603 19.82 -0.2 84 89 56 92 382 6.9 1.216 -0.002 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1056 Ascorbic acid 19.9116 1931.6 3.2 scans 86% TIC 0.55% 0.107% 1314 0.6 191 48477 0.176% 789530 789530 1298174 0-0 0.980 19.99 -6.1 98 97 96 98 449 19.8 1.077 -0.074 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN GUA35_L1-N1008 Glucopyranose 20.2915 1962.2 2.6 scans 94% TIC 0.16% 0.244% 1350 1.2 327 166059 1804416 1780058 0-1 0.990 20.41 -9.8 99 98 97 99 217 72.4 4.894 -0.122 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1052 Gluconic acid 2 20.5156 1980.2 2.7 scans 67% 292 m/z (191) 0.81% 0.0871% 1371 0.9 174 33341 0.107% 643032 603689 789231 3-0 13: 292 319 205 333 293 359 320 321 435 277 334 335 434 0.984 20.60 -6.5 92 93 93 93 613 5.1 0.085 -0.081 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN WTF2-N1038 C16:0 21.1438 2032.1 3.0 scans 81% 313 m/z 2.4% 0.0332% 1431 1.3 107 10933 245106 212908 1-10 20: 313 117 73 75 132 314 129 145 55 328 57 315 69 131 133 118 116 74 201 269 0.934 20.62 43.8 86 91 90 95 328 12.4 1.347 0.527 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1040 myo-Inositol 21.7193 2080.4 6.8 scans 55% 305 m/z (319) 0.014% 8.28% 1486 0.2 1197 1844853 61095207 60583084 1-0 20: 305 217 73 318 147 191 306 265 204 218 307 133 129 192 148 219 74 221 103 266 0.898 21.78 -5.2 87 91 94 92 378 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN INOSIT~1-N1024 myo-Inositol 21.7193 2080.4 6.8 scans 97% 305 m/z 0.012% 14.4% 1486 0.2 1585 2092980 106424914 105532821 1-0 20: 305 217 73 318 147 191 306 265 204 218 307 133 129 192 148 219 74 221 103 266 1.000 21.75 -2.5 100 99 99 99 507 116.7 0.544 -0.030 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1044 myo-Inositol 21.7277 2081.2 7.1 scans 29% 367 m/z (305) 0.019% 4.05% 1487 0.2 807 1364578 29900875 29118152 1-1 20: 367 291 393 407 436 380 235 316 329 365 396 327 188 280 371 179 242 333 330 275 0.886 21.77 -3.2 86 90 81 94 612 13.0 0.000 -0.039 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8656 2092.7 3.1 scans 94% 319 m/z 0.17% 0.430% 1500 1.1 374 151304 3171858 2878648 2-3 20: 319 73 205 147 320 217 103 321 262 206 117 74 204 229 133 148 89 157 291 129 0.999 21.93 -5.4 96 93 97 99 656 8.5 0.052 -0.064 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1939 2121.1 2.6 scans 92% 396 m/z 0.29% 0.223% 1531 1.0 309 93391 0.259% 1649936 1551055 1910381 2-0 20: 396 73 219 397 381 398 191 220 147 307 382 249 293 103 75 74 133 321 308 221 0.999 22.19 0.6 93 89 86 100 396 120.1 15.073 0.008 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6716 2162.8 3.1 scans 86% 204 m/z 1.5% 0.0256% 1576 1.6 95 17183 0.0596% 188963 182858 439609 1-0 13: 204 73 145 147 217 206 361 117 191 131 74 129 133 0.991 22.71 -3.7 96 95 96 97 518 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN BRA4_R~4-N1012 Spermidine 22.8999 2182.8 3.1 scans 58% 174 m/z 15% 0.00491% 1598 1.6 40 1740 36245 36245 1-0 5: 174 200 201 86 172 0.987 22.90 -0.0 95 98 94 98 418 7.3 3.271 -0.000 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN WTF2-N1036 C18:0 23.3986 2227.6 3.5 scans 82% 341 m/z 4.7% 0.0187% 1645 2.0 73 5728 0.0204% 138166 131643 150470 1-0 12: 341 117 132 145 342 75 129 55 356 57 343 69 0.981 22.89 45.8 87 93 85 93 356 9.9 1.848 0.510 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1028 Glycerolgalactose 24.1278 2294.2 2.6 scans 90% TIC 1.6% 0.0223% 1715 1.1 96 16895 164811 163898 0-2 0.999 24.01 10.7 94 93 93 95 490 0.0 0.000 0.118 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6571 2344.3 3.4 scans 75% 73 m/z 5.9% 0.0143% 1765 0.5 60 4536 0.0234% 105578 94206 172598 5-2 12: 73 421 331 217 191 332 147 307 262 103 205 319 0.949 24.65 0.7 87 87 80 87 466 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7507 2353.2 3.0 scans 79% 73 m/z 6.9% 0.00857% 1774 1.1 57 3906 0.0114% 63248 54897 84086 1-3 8: 73 204 217 147 103 292 375 305 0.986 24.81 -5.2 82 82 78 82 451 7.7 1.808 -0.054 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5321 2528.8 2.9 scans 69% 512 m/z 2.2% 0.0316% 1943 1.1 110 11882 233105 233105 0-0 16: 512 455 513 247 456 514 483 57 349 219 263 497 248 484 423 189 0.855 26.57 -4.3 97 96 86 96 512 39.8 13.006 -0.041 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN WTF2-N1032 Sucrose 26.6510 2541.1 2.7 scans 81% 361 m/z 6.6% 0.0124% 1954 1.0 69 4058 0.0451% 92050 81352 332657 1-5 15: 361 217 73 437 273 363 362 147 438 169 129 231 319 103 149 0.995 26.87 -22.6 84 84 83 88 451 8.0 1.316 -0.219 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1020 Sucrose 27.4065 2619.8 10.6 scans 10% 451 m/z (361) 0.049% 1.92% 2026 1.8 467 547432 14177759 14078094 1-0 20: 451 438 319 439 452 365 345 168 332 177 293 171 449 274 464 258 223 346 294 434 0.803 27.46 -5.8 93 95 92 98 437 290.8 38.878 -0.055 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1010 Sucrose 27.4138 2620.6 10.6 scans 99% 361 m/z 0.0085% 19.5% 2027 1.4 1483 3186449 144538026 143617847 1-0 20: 361 362 363 364 331 320 321 450 333 201 307 153 379 466 463 264 287 442 295 174 0.998 27.58 -17.6 100 99 98 99 437 283.1 3.671 -0.165 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1018 Sucrose 27.4138 2620.6 10.6 scans 49% 361 m/z (73) 0.0087% 9.84% 2027 1.4 1047 3092141 72641304 72178844 1-0 20: 361 362 363 364 331 320 321 450 333 201 307 153 379 466 463 264 287 442 295 174 0.846 27.47 -5.9 92 96 57 94 437 290.8 7.767 -0.056 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1014 Sucrose 27.4191 2621.1 10.6 scans 93% 272 m/z 0.0084% 16.5% 2027 1.0 1439 3204700 18.7% 122180723 118910517 137931011 1-0 17: 272 204 241 306 207 173 247 292 199 232 112 256 308 373 87 172 279 1.000 27.49 -7.6 100 100 99 100 437 290.8 4.115 -0.071 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1016 Sucrose 27.4254 2621.8 10.6 scans 33% 217 m/z (361) 0.027% 6.09% 2028 0.8 861 983312 6.85% 44923849 43769147 50525531 1-0 20: 217 271 218 243 219 229 231 157 149 305 291 435 259 155 127 190 142 53 118 109 0.900 27.48 -5.5 81 84 81 90 437 16.8 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1008 Sucrose 27.4464 2624.1 >8 scans 97% 103 m/z 0.0089% 15.0% 2030 0.2 1450 3017892 19.3% 110857493 107659135 142356604 1-0 5: 103 129 116 159 234 1.000 27.59 -15.4 100 99 98 99 437 271.1 3.519 -0.145 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN LQC1-N1006 Trehalose 28.3839 2725.4 3.4 scans 70% 361 m/z 5.0% 0.00788% 2119 1.3 53 5413 0.0236% 58169 54237 174073 0-1 6: 361 362 191 363 217 271 0.978 28.47 -9.5 91 91 82 91 565 0.0 0.000 -0.084 G:\GCMS data\Nicotiana Panel polar\B MN_REP4a.FIN GUA35_L1-N1020 Galactinol 30.6472 2984.5 3.3 scans 91% 204 m/z 2.3% 0.0179% 2334 1.4 76 11454 132056 124677 2-4 16: 204 205 73 217 191 147 433 206 361 103 129 218 230 318 319 293 0.992 30.55 12.1 82 81 88 81 641 0.0 0.000 0.102 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN EXBLK5S-N1006 Contamination 6.3900 1049.4 3.5 scans 61% 207 m/z 1.3% 0.0518% 29 1.3 93 19683 0.0998% 307790 209524 592199 11-3 12: 207 73 295 208 296 209 191 297 279 210 193 177 0.972 6.63 -13.9 97 97 91 97 295 29.8 10.250 -0.235 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1194 Alanine 7.4527 1112.4 13.9 scans 57% TIC 2.8% 0.0364% 130 1.4 69 9436 0.0668% 216171 198513 396382 1-0 0.933 7.40 2.9 89 88 85 92 283 0.0 0.000 0.049 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN A-KETO~2-N1006 Contamination?? 7.9988 1144.7 2.6 scans 73% 156 m/z 2.7% 0.0155% 182 1.1 73 9709 92142 86592 5-2 6: 156 75 55 54 157 61 0.980 7.96 2.5 98 98 95 98 156 38.8 28.566 0.042 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1192 Contamination 8.0777 1149.4 2.6 scans 61% 147 m/z 4.3% 0.0118% 189 1.7 63 6179 0.0209% 70069 63587 124018 2-2 13: 147 73 133 220 235 146 148 59 72 100 89 86 74 0.916 7.99 5.2 93 94 86 93 235 12.1 3.639 0.089 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN WTF2-N1026 Cadaverine NC 8.2113 1157.3 3.0 scans 49% 174 m/z 4.6% 0.00856% 202 1.0 46 5816 0.0110% 50822 36791 65272 0-8 7: 174 175 216 86 176 160 130 0.945 7.74 28.1 88 91 80 91 216 11.9 6.785 0.475 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1188 Contamination 8.3912 1168.0 5.5 scans 85% 281 m/z 1.4% 0.0797% 219 2.0 112 19182 0.0889% 473363 394857 527520 7-0 18: 281 369 73 282 147 283 370 371 207 266 251 148 191 267 193 205 372 208 0.996 8.41 -1.4 99 97 83 99 369 32.5 8.449 -0.024 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1190 Contamination 8.5091 1175.0 3.1 scans 49% 73 m/z 7.2% 0.00621% 230 1.4 46 3731 0.0279% 36891 36142 165555 0-1 8: 73 140 198 84 211 77 186 126 0.875 8.48 1.5 82 81 74 87 309 3.5 0.593 0.025 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1186 Phosphate 8.6101 1181.0 2.5 scans 39% 241 m/z 4.2% 0.00564% 240 1.0 46 6341 33474 33474 0-0 9: 241 242 169 211 163 243 133 256 195 0.814 8.56 3.0 91 92 73 94 299 0.0 0.000 0.049 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1184 Valine 9.2225 1217.1 5.5 scans 72% 144 m/z (156) 2.7% 0.0222% 298 0.4 61 9809 0.0276% 132106 129136 163774 4-0 4: 144 73 218 145 0.965 9.19 2.1 94 97 91 96 218 19.0 9.766 0.034 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1180 Benzoic acid 9.7843 1249.9 3.4 scans 65% 179 m/z 6.7% 0.0106% 351 0.7 48 4019 63396 57108 12-0 6: 179 105 135 77 180 194 0.961 9.76 1.4 90 88 83 96 194 7.6 2.538 0.025 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1178 Ethanolamine 10.0106 1263.2 5.6 scans 80% 174 m/z 1.5% 0.0487% 373 1.1 85 16977 0.203% 289475 271858 1204573 8-0 8: 174 73 175 100 86 201 176 262 0.981 10.03 -1.3 95 94 92 96 262 9.2 1.178 -0.023 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN VEN77_S6-N1002 Glycerol 10.1126 1269.1 2.8 scans 92% TIC 0.043% 0.930% 383 0.8 530 618274 5522445 5237307 1-1 0.978 10.09 1.1 100 99 95 100 299 309.5 34.250 0.019 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2652 1278.1 2.7 scans 72% 73 m/z 2.7% 0.0125% 397 1.1 64 9891 0.0131% 74673 67568 77734 1-1 7: 73 198 211 77 199 70 74 0.952 10.24 1.5 91 91 87 92 381 7.2 1.264 0.025 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1176 Isoleucine 10.4609 1289.5 3.3 scans 22% 158 m/z 3.7% 0.00726% 416 0.7 43 7223 0.0118% 43133 41145 70020 1-0 5: 158 218 159 232 160 0.989 10.46 0.1 86 86 64 86 260 0.0 0.000 0.002 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1012 Proline 10.5504 1294.8 3.2 scans 95% 142 m/z 0.055% 0.663% 424 0.6 404 487510 2.42% 3938974 3680668 14359933 4-0 20: 142 73 143 216 147 144 75 74 59 72 66 217 141 133 148 244 70 170 58 131 0.998 10.53 1.0 99 98 98 100 216 73.0 3.278 0.017 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6293 1299.4 2.5 scans 96% 147 m/z 0.057% 0.581% 432 0.7 454 472335 2.27% 3448174 3448174 13469854 0-0 20: 147 73 245 148 75 149 83 133 74 115 143 246 84 59 126 58 170 215 72 66 0.999 10.60 1.6 99 98 98 99 245 104.5 5.304 0.027 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1170 Glycine 10.6840 1302.6 >4 scans 61% 174 m/z 1.6% 0.0211% 437 1.0 86 15948 0.680% 125604 125604 4035022 0-0 10: 174 73 175 276 86 176 100 249 133 250 0.989 10.69 -0.2 96 95 91 97 276 12.8 2.176 -0.003 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7745 1308.1 3.1 scans 94% TIC 0.026% 1.71% 446 0.8 661 1009972 10154761 9447970 1-2 0.988 10.76 1.0 99 97 96 100 251 149.9 5.165 0.016 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1168 Glyceric acid 11.0501 1324.7 2.4 scans 96% 73 m/z 0.039% 1.54% 472 0.6 737 678412 9179019 8409068 2-1 20: 73 147 292 189 133 205 103 293 117 102 190 148 307 75 294 74 149 59 191 101 0.999 11.05 -0.2 100 99 99 100 292 223.5 9.215 -0.004 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.1038 1327.9 >3 scans 61% TIC 11% 0.00428% 477 0.8 44 2310 1.01% 25440 24372 5993195 0-1 0.953 11.06 2.4 89 89 81 93 285 13.9 9.825 0.041 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1018 Uracil 11.1617 1331.4 2.6 scans 58% TIC 12% 0.00430% 482 2.4 40 2121 0.967% 25547 25344 5738039 1-0 0.940 11.15 0.8 93 94 89 99 256 13.5 11.253 0.014 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1162 Fumaric acid 11.3847 1344.8 2.6 scans 97% 245 m/z 0.084% 0.489% 504 0.7 401 318199 2905678 2782501 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 74 155 84 53 59 157 61 58 0.999 11.39 -0.5 100 99 99 100 245 222.1 30.730 -0.008 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4742 1350.2 3.7 scans 53% 57 m/z (204) 1.5% 0.0331% 512 1.0 88 17428 0.0565% 196591 196591 335263 0-0 8: 57 97 115 127 69 56 111 109 0.992 11.45 1.7 89 88 94 97 145 24.3 7.531 0.028 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN WTF2-N1024 Contamination 10.96min 11.4963 1351.6 3.0 scans 61% 84 m/z 0.62% 0.0622% 514 1.2 135 43179 369336 343064 5-1 17: 84 162 161 65 92 82 118 63 78 51 91 64 120 106 93 81 107 0.959 10.96 32.6 82 83 90 96 161 33.8 6.243 0.540 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1160 Serine 11.5236 1353.2 2.9 scans 81% TIC 0.28% 0.277% 517 0.5 259 94996 0.694% 1647876 1574353 4118096 3-1 0.917 11.56 -2.0 99 99 93 99 306 26.1 1.015 -0.033 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1020 Serine 11.5236 1353.2 2.5 scans 88% 204 m/z 0.25% 0.208% 517 0.9 269 104033 1239449 1204273 2-1 19: 204 73 218 205 147 100 219 206 278 75 74 220 116 306 189 216 148 132 279 0.992 11.51 0.6 100 99 98 99 306 27.2 1.025 0.011 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1022 Thymine 11.6089 1358.3 3.0 scans 61% 255 m/z 4.9% 0.00575% 525 0.7 41 5450 34156 34156 1-0 4: 255 270 256 269 0.984 11.60 0.5 97 97 88 98 270 13.9 11.426 0.010 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7467 1366.6 2.7 scans 89% 147 m/z 1.3% 0.0507% 538 1.0 127 20685 301293 273203 7-1 20: 147 73 247 101 148 59 75 116 103 87 102 149 262 217 131 133 189 74 129 66 0.993 11.79 -2.3 87 82 92 97 262 15.0 1.394 -0.038 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1024 Threonine 11.9287 1377.6 2.6 scans 93% 73 m/z 0.58% 0.107% 555 1.1 188 46556 636798 589549 2-7 20: 73 218 219 117 291 147 292 101 220 57 100 74 133 203 75 129 128 293 59 130 1.000 11.92 0.5 100 99 99 100 320 15.6 0.685 0.008 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2861 1462.0 2.6 scans 22% 247 m/z 3.9% 0.0132% 684 1.3 66 6873 78352 77998 0-2 12: 247 259 248 115 249 233 189 349 321 203 217 69 0.312 13.31 -1.3 87 93 40 90 349 11.4 2.999 -0.020 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1148 Glutamine?? 13.3018 1463.0 2.8 scans 90% 155 m/z 0.43% 0.101% 686 0.9 177 61643 0.109% 600280 578199 646790 2-1 19: 155 73 156 229 139 59 100 157 74 84 72 131 230 56 257 140 103 132 112 0.970 13.35 -2.9 98 98 97 98 257 12.7 0.512 -0.045 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1146 Malic acid 13.5849 1480.8 3.7 scans 98% 73 m/z 0.012% 6.87% 713 0.3 1266 2206265 40818477 39490057 1-1 20: 73 147 233 245 133 189 190 148 75 175 335 191 74 149 101 55 234 265 217 307 1.000 13.62 -2.0 100 100 100 100 350 32.5 0.066 -0.032 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.7596 1491.8 2.6 scans 39% 100 m/z 12% 0.00353% 729 1.1 36 2150 0.00483% 20976 20976 28661 0-0 4: 100 243 115 128 0.856 13.81 -3.0 83 87 63 86 243 17.2 23.362 -0.046 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0247 1509.0 2.6 scans 38% 232 m/z 0.59% 0.0556% 754 1.1 133 45338 330446 312350 1-1 17: 232 233 218 100 202 234 188 219 216 292 334 130 204 221 220 189 349 0.657 14.02 0.5 92 92 85 97 258 4.7 0.000 0.008 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1140 Aspartic acid 14.0247 1509.0 2.6 scans 60% 232 m/z (156) 0.59% 0.0904% 754 1.1 168 45330 536539 507157 1-1 17: 232 233 218 100 202 234 188 219 216 292 334 130 204 221 220 189 349 0.986 14.09 -4.1 96 97 96 98 349 9.1 0.294 -0.062 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0468 1510.5 4.1 scans 87% TIC 0.16% 0.340% 757 0.6 278 161475 2022381 1957589 1-1 0.979 14.03 1.2 99 98 98 99 258 52.4 3.547 0.017 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0489 1510.6 3.0 scans 90% 156 m/z 0.14% 0.280% 757 0.8 284 187318 1664975 1615329 1-1 18: 156 157 258 147 230 158 259 231 59 72 140 121 148 112 58 86 55 154 0.989 14.11 -4.1 100 99 98 99 273 11.3 0.157 -0.061 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1134 GABA 14.1931 1520.2 2.7 scans 92% TIC 0.53% 0.110% 770 1.7 177 50477 0.159% 658262 629903 943483 1-2 0.994 14.24 -3.2 99 98 97 98 304 52.6 8.845 -0.049 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3635 1531.5 2.6 scans 72% 292 m/z 2.8% 0.0200% 787 1.1 81 9534 118924 115007 1-1 6: 292 220 205 293 294 148 0.979 14.62 -17.1 94 93 88 94 409 6.0 0.548 -0.257 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6224 1548.6 2.5 scans 97% 73 m/z 0.039% 1.54% 811 0.8 726 685598 9139611 8796638 1-1 20: 73 292 147 220 205 217 293 117 103 221 148 294 133 74 319 75 149 291 206 102 1.000 14.69 -4.6 100 99 98 99 409 53.7 0.547 -0.070 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7444 1556.7 2.7 scans 65% 174 m/z 0.66% 0.0628% 823 1.0 142 40929 373029 359381 1-1 14: 174 175 86 176 250 100 117 162 144 116 131 158 252 101 0.933 14.16 38.4 91 94 90 99 250 26.2 3.408 0.579 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1126 Pyrazine 15.0737 1578.6 3.3 scans 52% TIC 7.3% 0.00618% 854 1.3 43 3678 0.0529% 36694 32980 313901 1-2 0.803 15.13 -3.8 85 87 69 89 344 12.3 8.184 -0.058 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3789 1598.8 2.6 scans 75% 217 m/z 1.1% 0.0268% 883 1.2 107 22720 0.0457% 159557 159557 271177 0-0 14: 217 73 218 219 147 189 133 103 230 129 148 149 215 89 0.936 15.44 -4.2 92 92 90 93 393 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1036 Glutamic acic 15.5030 1607.4 2.4 scans 60% 246 m/z 6.1% 0.00526% 895 1.0 45 4424 31229 31229 0-0 5: 246 128 247 348 248 0.955 15.50 -0.0 96 98 92 97 363 4.2 0.878 0.000 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1118 Phenylalanine 15.6051 1614.5 2.6 scans 57% 218 m/z (267) 3.0% 0.0185% 905 1.2 75 8826 109791 99693 1-1 6: 218 192 219 100 220 266 0.978 15.66 -3.7 93 94 88 96 294 5.5 0.535 -0.054 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1038 Xylose 15.8871 1634.0 3.0 scans 75% 73 m/z 2.9% 0.0230% 932 1.7 77 9015 136811 134605 0-2 13: 73 217 103 307 147 218 160 308 189 89 74 219 277 0.970 15.89 -0.2 93 91 91 97 307 20.6 7.099 -0.003 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1040 Xylose 16.0039 1642.1 2.7 scans 92% 73 m/z 0.66% 0.0893% 943 1.1 171 40546 530432 512369 1-0 20: 73 103 217 307 147 160 189 204 308 117 277 218 74 309 205 75 133 104 89 219 0.995 16.00 0.0 98 96 97 100 307 45.6 7.082 -0.000 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1042 Ribose 16.1028 1649.0 2.6 scans 82% 73 m/z 1.6% 0.0289% 952 0.8 104 16376 0.193% 171696 171094 1145234 1-0 20: 73 103 307 217 147 308 277 160 189 309 218 89 117 133 74 205 219 204 59 148 0.990 16.10 0.0 96 94 95 99 307 29.1 7.790 -0.000 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6110 1684.3 2.8 scans 86% TIC 1.7% 0.0371% 1000 1.3 113 15901 0.0711% 220601 220601 421897 0-0 0.992 16.68 -4.5 98 97 94 98 497 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9235 1706.3 2.9 scans 73% 73 m/z 2.4% 0.0225% 1030 1.3 94 11220 0.163% 133721 133721 967219 0-0 19: 73 217 147 205 103 307 319 218 129 318 204 243 320 189 206 74 219 133 148 0.981 16.99 -4.8 95 95 92 95 422 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9961 1711.6 3.1 scans 87% TIC 0.97% 0.0778% 1037 1.2 150 27734 0.256% 462197 455357 1519067 0-1 0.990 17.06 -4.9 95 94 94 94 510 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1096 Putrescine 17.1876 1725.6 2.8 scans 55% 174 m/z 1.8% 0.0142% 1055 1.1 67 14966 84658 77648 2-1 9: 174 175 214 176 86 200 172 100 130 0.989 17.25 -4.4 96 95 95 97 458 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1044 Putrescine 17.1876 1725.6 2.8 scans 64% 174 m/z (73) 1.7% 0.0173% 1055 1.1 73 15239 102753 94245 2-1 9: 174 175 214 176 86 200 172 100 130 0.950 17.19 -0.0 92 94 91 96 376 4.9 0.454 -0.000 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3759 1739.3 2.5 scans 53% 292 m/z (345) 4.4% 0.0125% 1073 1.0 65 6029 0.0134% 74202 70283 79514 1-1 5: 292 333 293 307 334 0.956 17.44 -5.0 89 92 86 91 511 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5622 1752.9 2.7 scans 92% TIC 0.28% 0.157% 1091 0.9 222 96413 0.331% 935543 873595 1964107 2-1 0.996 17.63 -5.1 95 94 95 96 450 24.2 1.193 -0.070 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6958 1762.7 4.2 scans 78% TIC 0.65% 0.139% 1103 0.5 173 41285 0.253% 827459 783502 1501266 1-0 0.896 17.70 -0.2 96 97 93 97 375 17.4 1.012 -0.003 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1086 Fructofuranose 18.0630 1789.5 3.7 scans 83% TIC 0.93% 0.0703% 1138 1.4 135 28954 0.352% 417591 387613 2088718 2-0 0.987 18.13 -5.1 92 91 89 93 437 35.4 6.910 -0.071 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1251 1794.0 2.7 scans 70% 204 m/z 0.47% 0.108% 1144 1.1 179 57299 0.117% 645031 545116 694261 6-8 12: 204 205 206 357 372 255 254 462 331 358 283 256 0.952 18.13 0.0 96 96 93 98 372 21.3 1.411 0.000 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1048 Citric acid 18.2472 1803.1 2.6 scans 33% 273 m/z 4.3% 0.0167% 1156 1.0 74 6202 0.0195% 99678 98819 115710 2-0 11: 273 347 274 363 375 465 211 275 348 376 466 0.738 18.24 0.3 93 95 66 96 465 13.3 3.259 0.003 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5828 1828.7 4.0 scans 38% 217 m/z 2.1% 0.0302% 1188 1.4 84 12701 0.0416% 179359 176598 246848 1-1 12: 217 191 319 218 204 219 192 320 205 304 306 321 0.457 18.67 -6.6 81 87 46 86 319 21.6 6.637 -0.086 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1076 Pregnane?? 18.8133 1846.2 3.8 scans 97% 345 m/z 0.010% 7.82% 1210 0.3 1359 2690145 46439509 46073981 1-0 20: 345 73 346 255 147 347 334 204 191 256 435 419 372 133 257 148 348 239 74 75 0.998 18.86 -3.5 100 100 99 100 537 101.7 0.563 -0.045 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1074 Adenine 18.8827 1851.5 3.2 scans 13% 264 m/z 11% 0.00217% 1216 1.2 24 2273 0.0242% 12913 12913 143599 0-0 3: 264 265 279 0.972 18.94 -4.4 88 91 76 91 415 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1072 Fructose 18.9764 1858.7 3.9 scans 98% 73 m/z 0.022% 4.59% 1225 0.7 1025 1191371 27251260 26905175 1-0 20: 73 307 217 103 147 308 277 218 133 309 364 74 117 205 189 104 219 89 148 75 1.000 19.03 -4.3 100 99 99 100 364 112.8 1.217 -0.057 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1052 Fructose 19.1068 1868.6 4.7 scans 95% TIC 0.036% 3.32% 1237 0.5 799 735872 23.3% 19724685 18501275 138258859 2-6 1.000 19.10 0.2 100 99 100 99 364 87.9 1.213 0.003 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1070 Fructose 19.1079 1868.7 4.7 scans 87% 73 m/z (143) 0.034% 3.16% 1238 0.5 765 782533 7.48% 18755485 17650473 44385247 2-3 20: 73 217 307 103 147 308 218 277 309 74 364 133 89 117 262 148 189 75 204 149 0.990 19.19 -6.6 91 92 93 93 554 45.8 0.359 -0.086 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1068 Galactopyranose 19.2299 1878.0 3.4 scans 79% 204 m/z 0.25% 0.203% 1249 1.1 260 104079 12.0% 1209200 1209200 71206279 0-0 16: 204 73 191 147 205 217 192 206 129 218 133 193 435 117 148 190 0.982 19.32 -6.5 95 94 92 97 435 18.1 0.486 -0.085 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1056 Glucose 19.3372 1886.2 >5 scans 77% 307 m/z 0.014% 9.45% 1259 0.3 1307 1817186 11.8% 56077437 54401907 70019508 1-0 15: 307 365 376 293 366 308 86 465 294 284 420 314 287 199 352 1.000 19.33 0.4 100 99 99 99 364 97.1 0.553 0.005 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1064 Mannose 19.3425 1886.6 6.3 scans 99% 322 m/z 0.011% 15.6% 1260 0.2 1512 2324692 92969081 92839233 1-0 19: 322 374 323 464 309 248 377 467 468 257 342 334 266 405 289 337 351 421 335 0.996 19.45 -8.6 100 99 99 100 319 600.2 15.815 -0.112 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN BRA4_R~2-N1004 Galactose 19.3499 1887.2 6.0 scans 86% 73 m/z (322) 0.011% 13.6% 1261 0.2 1458 2402314 13.8% 81290113 79379150 81887221 2-1 20: 73 319 205 147 160 320 217 103 321 206 117 133 129 157 229 74 204 148 189 161 0.993 19.36 -0.9 96 98 98 99 364 60.3 0.000 -0.011 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1062 Glucose 19.5624 1903.6 2.8 scans 96% 319 m/z 0.022% 3.85% 1281 0.5 1062 1220654 22852135 22043615 1-1 20: 319 73 205 147 320 160 217 103 321 133 206 117 74 229 129 148 157 89 204 189 0.994 19.66 -7.5 100 99 99 99 319 403.1 14.462 -0.094 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1056 Ascorbic acid 19.9044 1931.1 2.9 scans 89% TIC 0.54% 0.118% 1313 0.8 189 49708 0.252% 705855 691971 1495332 1-0 0.990 19.99 -6.6 98 97 96 98 449 20.4 1.161 -0.082 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2884 1961.9 2.5 scans 95% 204 m/z 0.14% 0.363% 1350 1.0 355 189447 2154666 2097640 1-1 20: 204 73 191 147 205 217 206 192 189 129 74 218 103 133 193 75 148 117 149 291 0.999 20.41 -10.1 100 98 98 99 217 74.8 4.447 -0.126 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1052 Gluconic acid 2 20.5115 1979.9 2.9 scans 86% TIC 0.92% 0.0884% 1371 0.6 153 29324 0.164% 524674 490839 973152 1-2 0.970 20.60 -6.8 94 94 92 94 613 0.0 0.000 -0.086 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6994 2078.8 5.9 scans 97% 433 m/z 0.013% 14.9% 1484 0.4 1540 1943849 88937891 88852033 1-0 20: 433 507 508 435 322 194 436 407 406 613 365 404 409 165 270 328 347 297 398 261 0.997 21.75 -4.1 100 100 99 100 507 118.5 0.594 -0.050 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN INOSIT~1-N1022 myo-Inositol 21.7026 2079.0 5.7 scans 8.3% 432 m/z (217) 0.11% 1.25% 1484 0.3 451 237392 7464477 7463927 1-0 20: 432 393 434 308 394 435 419 220 294 395 345 331 295 194 407 613 181 378 224 365 0.499 21.74 -3.3 81 93 61 93 507 119.5 7.018 -0.038 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1042 myo-Inositol 21.7078 2079.5 5.1 scans 82% 217 m/z (432) 0.014% 12.1% 1485 0.3 1468 1804563 72294438 69623787 1-1 20: 217 73 305 147 318 191 306 319 265 204 218 307 133 129 320 148 192 74 219 367 0.988 21.77 -5.6 97 98 98 98 318 384.6 6.885 -0.066 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8604 2092.3 3.1 scans 95% 73 m/z 0.23% 0.360% 1499 1.1 315 115348 2141136 2050750 1-1 20: 73 319 205 147 320 103 217 321 206 117 74 204 229 133 89 148 157 75 291 189 0.999 21.93 -5.8 97 95 97 99 656 6.7 0.046 -0.070 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1898 2120.8 2.8 scans 89% TIC 0.35% 0.218% 1530 1.2 265 75909 0.270% 1296532 1296532 1602141 0-0 0.941 22.19 0.3 99 98 95 99 396 108.5 16.719 0.004 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1032 trans-Caffeic acid 22.1961 2121.3 2.8 scans 49% 319 m/z 0.36% 0.106% 1531 1.2 192 74386 0.252% 632335 632335 1495332 0-0 19: 319 205 320 103 217 321 206 229 172 207 129 104 157 173 143 322 230 262 159 0.479 22.25 -4.7 84 90 55 87 396 106.8 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6748 2163.1 3.4 scans 85% 204 m/z 2.3% 0.0231% 1577 1.3 77 11708 0.0543% 137540 131289 322208 1-0 13: 204 73 205 206 361 147 217 145 249 117 131 218 191 0.995 22.71 -3.4 95 95 94 95 518 0.0 0.000 -0.039 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1279 2294.2 2.7 scans 88% 204 m/z 2.8% 0.0170% 1715 1.1 73 9527 101364 96130 1-3 10: 204 73 147 205 337 217 103 206 129 219 0.992 24.01 10.7 92 92 90 93 490 0.0 0.000 0.118 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6571 2344.3 3.3 scans 75% TIC 9.4% 0.00814% 1765 0.9 47 2865 0.0202% 48340 46486 119864 0-2 0.958 24.65 0.7 83 84 77 83 466 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5322 2528.8 3.8 scans 77% TIC 2.4% 0.0382% 1943 1.5 95 10878 0.0461% 227168 206075 273551 4-2 0.882 26.57 -4.3 95 95 84 95 512 32.1 11.390 -0.041 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN WTF2-N1032 Sucrose 26.6479 2540.8 2.7 scans 83% 361 m/z 9.3% 0.00951% 1954 1.2 52 2901 0.0363% 56479 44766 215399 2-5 7: 361 437 73 217 273 362 129 0.977 26.87 -22.9 82 84 80 85 451 6.3 1.438 -0.222 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1020 Sucrose 27.4034 2619.5 9.7 scans 9.8% 437 m/z (361) 0.048% 2.15% 2026 1.7 466 553270 12782463 12771286 1-0 19: 437 451 438 439 452 453 441 454 193 248 260 377 355 455 265 423 264 379 343 0.716 27.46 -6.1 93 95 92 97 437 292.8 39.608 -0.058 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1010 Sucrose 27.4118 2620.4 9.7 scans 99% 362 m/z 0.0084% 22.5% 2027 1.2 1494 3194899 133967670 133965963 1-0 18: 362 363 319 364 365 175 177 306 156 347 346 293 292 222 336 468 465 182 0.998 27.58 -17.8 100 99 98 99 437 284.9 3.659 -0.167 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN TAB_REP6-N1070 Sucrose 27.4150 2620.7 9.7 scans 73% 361 m/z (362) 0.010% 17.0% 2027 1.1 1289 2490520 100928420 100903065 1-0 20: 361 363 331 272 205 170 305 333 220 175 241 177 435 201 247 274 232 101 207 346 1.000 27.41 0.6 83 82 68 87 451 0.0 0.000 0.005 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1018 Sucrose 27.4150 2620.7 9.7 scans 51% 361 m/z (73) 0.0084% 11.7% 2027 1.1 1072 3194899 69729726 69712208 1-0 20: 361 363 331 272 205 170 305 333 220 175 241 177 435 201 247 274 232 101 207 346 0.862 27.47 -5.8 93 96 59 94 437 292.8 7.518 -0.055 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1008 Sucrose 27.4381 2623.2 >8 scans 98% 103 m/z 0.0087% 19.6% 2029 0.4 1474 3105296 22.7% 116365139 112557311 134698545 1-0 7: 103 129 130 119 178 309 381 1.000 27.59 -16.3 100 98 98 99 437 279.9 3.629 -0.153 G:\GCMS data\Nicotiana Panel polar\B MN_REP6.FIN LQC1-N1006 Trehalose 28.3704 2723.9 >5 scans 42% 361 m/z 14% 0.00248% 2118 1.0 35 1879 0.0118% 14715 14715 70020 0-0 4: 361 362 363 191 0.909 28.47 -11.0 87 90 77 90 565 0.0 0.000 -0.098 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN EXBLK5S-N1006 Contamination 6.5900 1061.2 2.7 scans 79% 207 m/z 0.43% 0.236% 48 1.5 158 50673 0.389% 575144 399789 944995 13-5 18: 207 73 295 208 209 191 296 297 279 193 189 133 247 192 177 298 210 280 0.979 6.63 -2.1 100 99 97 99 295 48.2 9.307 -0.035 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.7668 1071.7 >5 scans 54% 147 m/z 3.1% 0.0482% 65 0.6 67 7023 0.248% 117184 116405 602465 0-1 5: 147 117 191 88 73 0.975 6.82 -3.2 92 89 84 98 295 3.4 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1194 Alanine 7.3866 1108.5 6.3 scans 84% TIC 0.79% 0.205% 124 0.5 106 27675 0.332% 499732 434051 806525 1-2 0.995 7.40 -1.0 97 96 95 96 283 5.1 0.234 -0.017 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN A-KETO~2-N1006 Contamination?? 7.8821 1137.8 2.7 scans 77% TIC 2.3% 0.0330% 171 1.1 73 9577 0.101% 80397 78781 245359 0-1 0.989 7.96 -4.4 99 98 96 98 156 39.4 29.081 -0.075 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1192 Contamination 7.9663 1142.8 2.7 scans 78% 147 m/z 3.1% 0.0417% 179 1.2 78 6939 0.0717% 101458 100754 174180 2-0 17: 147 73 220 235 133 152 146 148 72 59 89 160 103 100 74 131 149 0.984 7.99 -1.4 95 95 93 95 235 15.1 3.772 -0.023 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN WTF2-N1026 Cadaverine NC 8.1799 1155.5 3.3 scans 35% 174 m/z 15% 0.00504% 199 1.5 23 1383 12264 12264 0-0 1: 174 0.903 7.74 26.3 80 84 69 86 216 6.7 8.294 0.444 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1188 Contamination 8.3714 1166.8 4.0 scans 67% 281 m/z 3.0% 0.0398% 217 1.3 63 7298 0.0572% 96906 96622 138956 0-1 8: 281 369 282 147 370 283 249 148 0.990 8.41 -2.6 99 99 96 99 369 20.3 10.336 -0.044 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1190 Contamination 8.4219 1169.8 2.9 scans 67% 73 m/z 3.3% 0.0290% 222 1.1 64 6540 0.0603% 70619 68768 146486 0-2 10: 73 140 211 198 77 186 70 69 126 74 0.961 8.48 -3.7 91 90 88 94 309 6.5 1.033 -0.062 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1186 Phosphate 8.5261 1176.0 2.3 scans 46% 241 m/z 2.7% 0.0214% 232 0.9 59 8087 52187 52187 1-0 9: 241 242 211 243 133 256 163 135 195 0.656 8.56 -2.0 90 89 71 95 299 0.0 0.000 -0.035 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1184 Valine 9.1553 1213.1 3.1 scans 82% 144 m/z (156) 1.6% 0.0511% 292 0.8 75 13737 0.0661% 124264 111066 160576 5-3 8: 144 73 218 145 147 146 219 100 0.987 9.19 -1.9 96 97 94 98 218 22.5 9.108 -0.033 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1180 Benzoic acid 9.7245 1246.4 3.1 scans 81% TIC 1.9% 0.0566% 346 0.8 82 11049 0.0592% 137546 124979 143814 1-4 0.931 9.76 -2.1 96 94 91 98 194 11.7 2.044 -0.034 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1178 Ethanolamine 9.9918 1262.1 3.2 scans 84% 174 m/z 1.2% 0.0577% 371 0.9 85 17365 0.442% 140234 139672 1073748 1-0 8: 174 73 100 86 133 59 262 130 0.991 10.03 -2.4 98 97 94 97 262 9.6 1.289 -0.042 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN VEN77_S6-N1002 Glycerol 10.0623 1266.2 2.5 scans 94% TIC 0.040% 1.69% 378 1.2 487 543122 4106754 3682639 1-3 0.996 10.09 -1.8 100 99 98 100 299 296.6 37.264 -0.032 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LACTIC~1-N1034 Glycerol 10.0886 1267.7 3.3 scans 46% 205 m/z (299) 0.90% 0.199% 380 0.8 142 24214 0.218% 483456 452869 529586 1-3 9: 205 117 218 206 204 175 129 217 220 0.975 10.11 -1.3 97 99 98 99 293 10.0 0.496 -0.021 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2264 1275.8 2.6 scans 87% 73 m/z 0.96% 0.0813% 393 1.2 105 22808 197514 182393 1-2 15: 73 198 77 211 199 70 239 74 212 200 289 72 142 170 92 0.990 10.24 -0.8 98 97 95 97 381 12.4 1.388 -0.014 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1176 Isoleucine 10.4211 1287.2 >3 scans 79% TIC 2.4% 0.0314% 412 1.5 69 9132 1.18% 76374 76104 2866566 1-0 0.984 10.46 -2.2 92 91 89 95 260 4.5 0.437 -0.038 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1012 Proline 10.5074 1292.2 2.7 scans 95% 142 m/z 0.069% 0.831% 420 1.0 330 317323 1.21% 2020470 1816803 2939445 6-0 20: 142 73 143 216 147 144 75 74 72 59 66 217 218 100 133 244 148 140 68 131 1.000 10.53 -1.6 99 98 98 100 216 61.9 3.525 -0.026 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5821 1296.6 2.5 scans 94% TIC 0.14% 0.441% 427 1.0 262 149930 3.28% 1071962 1039901 7968082 0-1 0.996 10.60 -1.2 99 98 98 99 245 60.6 5.347 -0.020 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1170 Glycine 10.6431 1300.2 3.2 scans 63% TIC 2.0% 0.0199% 433 1.1 70 10515 2.23% 48360 48360 5417324 0-0 0.946 10.69 -2.6 95 96 86 96 276 11.2 2.530 -0.044 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7262 1305.2 2.8 scans 93% TIC 0.044% 1.85% 441 1.3 474 498792 4508387 4361265 1-1 0.964 10.76 -1.9 100 98 98 99 251 109.4 5.337 -0.032 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1168 Glyceric acid 11.0072 1322.1 2.5 scans 95% 73 m/z 0.37% 0.321% 468 1.0 215 58253 780937 734546 1-4 20: 73 147 292 189 133 205 103 293 102 190 117 307 148 75 74 149 59 101 134 191 0.997 11.05 -2.8 100 99 99 99 292 65.2 9.203 -0.047 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0650 1325.6 >4 scans 69% TIC 9.4% 0.0134% 473 0.9 45 2331 0.299% 32758 32320 726359 0-1 0.959 11.06 0.1 87 86 80 93 285 13.2 8.569 0.002 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1018 Uracil 11.1271 1329.3 2.5 scans 76% 241 m/z 5.0% 0.0192% 479 1.4 54 4398 46751 46416 0-2 6: 241 255 99 256 242 113 0.982 11.15 -1.3 94 92 83 98 256 16.5 9.548 -0.021 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1164 Itaconic acid 11.2050 1334.0 2.6 scans 76% 147 m/z 3.1% 0.0277% 486 1.0 61 6903 0.0318% 67413 60462 77252 2-2 8: 147 73 259 215 75 148 166 268 0.969 11.25 -2.9 81 76 79 90 259 11.9 3.778 -0.047 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1162 Fumaric acid 11.3512 1342.8 2.5 scans 96% 245 m/z 0.15% 0.493% 500 1.0 267 139351 1199159 1172177 1-1 20: 245 147 73 246 75 143 247 83 148 133 149 115 155 74 53 61 84 59 127 58 0.999 11.39 -2.5 100 99 99 100 245 150.2 31.567 -0.042 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4501 1348.8 2.9 scans 44% 57 m/z (84) 1.3% 0.0770% 510 1.1 98 16436 0.0885% 187253 181099 214992 1-0 17: 57 97 145 115 55 69 127 129 56 111 71 128 83 67 146 81 54 0.894 11.45 0.3 88 87 93 99 145 26.6 7.345 0.004 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4565 1349.2 3.1 scans 43% 84 m/z (57) 0.97% 0.0810% 510 1.2 98 22711 0.100% 196828 193371 242929 1-0 20: 84 133 161 162 119 92 118 65 82 51 63 130 78 91 104 134 64 120 105 106 0.953 10.96 30.2 89 94 89 94 161 25.9 6.998 0.500 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1160 Serine 11.5017 1351.9 2.6 scans 97% TIC 0.16% 0.675% 515 0.9 309 133318 0.811% 1641909 1593977 1970157 0-1 0.998 11.56 -3.3 100 99 98 99 306 32.1 1.085 -0.055 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1022 Thymine 11.5880 1357.1 2.7 scans 63% 255 m/z 3.2% 0.0185% 523 1.1 50 6851 44945 43156 1-1 5: 255 256 270 257 271 0.830 11.60 -0.7 96 95 83 98 270 16.8 11.185 -0.011 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN BRA4_R~2-N1008 Thymine 11.5901 1357.2 3.1 scans 80% TIC 3.1% 0.0228% 523 1.8 57 6894 1.19% 55452 55452 2890859 0-0 0.968 11.58 0.4 94 92 86 97 270 16.8 8.727 0.006 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7206 1365.1 3.1 scans 76% 147 m/z 2.8% 0.0477% 535 1.4 75 7846 0.0576% 115994 109977 139927 0-1 13: 147 73 247 101 131 103 59 116 102 148 149 87 262 0.924 11.79 -3.8 81 76 87 93 262 8.3 1.231 -0.064 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1024 Threonine 11.9110 1376.5 2.6 scans 96% 73 m/z 0.42% 0.310% 554 1.1 209 52387 0.334% 754460 749821 811384 1-0 20: 73 218 219 117 291 292 147 101 220 57 100 74 75 203 128 293 221 132 133 118 0.999 11.92 -0.6 100 99 99 100 320 19.0 0.820 -0.010 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1148 Glutamine?? 13.2904 1462.3 2.8 scans 92% TIC 0.27% 0.302% 685 0.8 199 79156 0.337% 735658 708564 818672 2-1 0.984 13.35 -3.6 99 98 98 99 257 16.3 0.670 -0.057 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1146 Malic acid 13.5451 1478.3 2.4 scans 99% 73 m/z 0.023% 4.71% 709 0.6 828 946932 11452011 11444301 1-0 20: 73 147 233 245 133 189 190 148 75 175 335 191 74 149 55 101 234 217 265 59 0.999 13.62 -4.5 100 99 99 100 350 20.6 0.062 -0.072 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1144 Contamination Parabanica acid 13.7439 1490.9 2.8 scans 64% 100 m/z (73) 10% 0.0142% 728 1.0 44 2058 34651 34651 1-0 5: 100 243 115 128 244 0.964 13.81 -3.9 87 90 79 91 243 18.0 16.889 -0.062 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1142 Erythritol/Threitol 13.8355 1496.6 2.6 scans 62% 217 m/z 1.2% 0.0747% 736 1.4 100 17722 0.0857% 181552 162812 208190 1-0 15: 217 147 205 103 204 117 189 307 191 218 293 206 133 116 149 0.882 13.89 -3.5 94 94 90 97 320 7.5 0.564 -0.055 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1028 Aspartic acid 14.0186 1508.6 2.5 scans 27% 232 m/z (73) 0.39% 0.150% 754 1.1 150 56364 365997 350912 1-1 19: 232 233 218 100 234 202 188 216 117 306 219 334 204 101 203 220 189 292 235 0.924 14.02 0.1 94 95 91 99 258 6.5 0.000 0.002 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0270 1509.1 3.4 scans 80% 73 m/z 0.17% 0.619% 755 1.0 265 128371 1504284 1437877 1-1 20: 73 147 75 74 148 59 72 133 131 155 86 66 99 61 115 60 76 114 71 68 0.835 14.03 -0.2 97 95 97 100 258 48.4 3.340 -0.003 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0270 1509.1 3.4 scans 84% 73 m/z (232) 0.14% 0.664% 755 1.0 270 148361 1615153 1543853 1-1 20: 73 147 75 74 148 59 72 133 131 155 86 66 99 61 115 60 76 114 71 68 0.991 14.11 -5.6 96 97 96 99 273 11.7 0.187 -0.083 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1140 Aspartic acid 14.0270 1509.1 3.4 scans 62% 73 m/z (156) 0.23% 0.496% 755 1.0 234 95113 1206273 1153022 1-1 20: 73 147 75 74 148 59 72 133 131 155 86 66 99 61 115 60 76 114 71 68 0.971 14.09 -4.0 95 96 96 98 349 10.8 0.213 -0.060 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1032 GABA 14.1838 1519.5 2.7 scans 90% 174 m/z 0.35% 0.260% 770 1.0 196 62651 0.327% 633424 633424 794379 0-0 19: 174 73 304 147 175 305 176 86 75 216 306 172 59 246 100 148 133 130 74 0.998 14.19 -0.3 99 98 97 98 304 61.8 9.971 -0.004 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1134 GABA 14.1838 1519.5 2.7 scans 92% TIC 0.35% 0.258% 770 1.1 198 62886 0.483% 627725 627725 1173349 0-0 0.998 14.24 -3.9 99 98 97 98 304 61.9 9.817 -0.058 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3616 1531.3 8.5 scans 79% TIC 5.1% 0.0267% 786 1.6 53 4318 1.13% 64927 64160 2745101 0-1 0.954 14.62 -17.3 87 87 82 87 409 0.0 0.000 -0.259 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6099 1547.8 2.5 scans 97% 73 m/z 0.13% 0.786% 810 1.0 350 158058 1910360 1838520 1-1 20: 73 292 147 205 220 293 217 117 103 221 294 133 148 74 319 102 75 149 291 206 1.000 14.69 -5.4 100 99 98 99 409 26.4 0.568 -0.082 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7372 1556.2 2.9 scans 76% 174 m/z 0.36% 0.238% 822 1.0 178 59789 580014 576960 1-0 20: 174 73 175 86 176 250 91 100 59 65 118 130 117 251 121 162 101 131 87 158 0.974 14.16 37.9 91 93 89 99 250 33.2 3.479 0.572 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1126 Pyrazine 15.0718 1578.4 2.8 scans 75% TIC 5.1% 0.0216% 854 1.1 57 4309 52642 51308 0-1 0.968 15.13 -4.0 83 79 68 92 344 16.3 8.104 -0.060 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1120 Glutamic acid 15.5022 1607.3 2.5 scans 83% TIC 2.6% 0.0309% 895 0.6 69 8440 0.0785% 75204 75204 190700 0-0 0.978 15.56 -4.0 95 95 88 95 363 7.2 1.104 -0.058 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1118 Phenylalanine 15.6021 1614.2 5.5 scans 90% TIC 1.6% 0.0833% 904 1.4 103 13450 0.142% 202454 195063 344960 1-0 0.994 15.66 -4.0 94 92 92 96 294 6.9 0.447 -0.057 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1038 Xylose 15.8904 1634.3 2.9 scans 66% 73 m/z 5.4% 0.0169% 932 1.2 49 4047 0.0760% 41292 38237 184626 0-1 5: 73 217 103 307 218 0.961 15.89 0.1 87 84 84 94 307 14.0 8.106 0.000 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1040 Xylose 16.0041 1642.2 2.7 scans 89% 73 m/z 1.2% 0.0946% 943 1.2 115 17403 0.124% 229816 222254 301232 3-0 20: 73 103 217 307 147 189 160 308 277 218 204 117 133 74 201 104 105 129 205 219 0.990 16.00 0.1 98 98 96 98 307 31.2 7.280 0.000 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1042 Ribose 16.1030 1649.0 2.6 scans 70% 103 m/z 3.3% 0.0320% 952 0.9 68 6637 0.109% 77962 75931 264793 2-0 8: 103 307 217 308 277 309 189 218 0.975 16.10 0.0 96 96 88 95 307 20.9 9.364 -0.000 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.2271 1657.6 2.6 scans 29% 290 m/z (156) 3.3% 0.0150% 964 1.6 42 6595 36577 33490 1-3 4: 290 291 292 392 0.735 16.28 -3.5 92 97 63 96 392 8.0 3.630 -0.049 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6133 1684.5 2.6 scans 89% TIC 1.4% 0.102% 1000 1.5 119 15649 0.140% 248571 231199 340101 1-0 0.996 16.68 -4.3 99 98 96 98 497 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9237 1706.3 2.6 scans 46% 217 m/z 9.4% 0.0124% 1030 1.2 44 2335 0.102% 30143 30143 247788 0-0 6: 217 319 205 103 307 218 0.862 16.99 -4.8 83 85 58 84 422 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9984 1711.8 2.9 scans 81% 73 m/z 1.6% 0.0856% 1037 1.2 105 13187 0.353% 208153 207384 857540 0-1 20: 73 217 205 319 147 103 305 307 320 218 129 204 189 148 74 203 206 131 243 308 0.968 17.06 -4.7 94 94 90 94 510 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1096 Putrescine 17.1878 1725.6 2.6 scans 53% 174 m/z 2.2% 0.0202% 1055 1.0 54 9695 49086 48520 0-1 9: 174 175 214 176 172 86 200 361 100 0.996 17.25 -4.4 93 92 91 94 458 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3782 1739.5 2.7 scans 50% 292 m/z 6.5% 0.0172% 1073 1.0 50 3345 41910 41910 0-0 5: 292 333 307 334 293 0.878 17.44 -4.8 88 90 76 89 511 4.2 0.700 -0.065 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5666 1753.3 2.7 scans 88% 217 m/z 0.52% 0.151% 1091 1.2 149 42180 0.385% 367750 345035 935278 1-1 19: 217 73 218 147 219 450 232 451 305 74 257 191 452 148 129 149 169 143 306 0.996 17.63 -4.7 95 94 93 95 450 23.5 2.484 -0.065 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6991 1762.9 2.8 scans 51% 334 m/z 1.7% 0.124% 1104 0.9 128 12834 0.175% 302944 288917 425126 2-1 15: 334 204 256 129 335 375 255 336 167 211 285 143 267 166 151 0.676 17.70 0.0 93 96 61 94 375 20.0 2.444 0.000 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1046 Shikimic acid 18.1253 1794.0 2.9 scans 80% TIC 0.77% 0.102% 1144 1.1 126 28278 0.353% 249396 249396 857540 0-0 0.944 18.13 0.0 95 95 91 96 372 13.7 1.199 0.000 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1048 Citric acid 18.2484 1803.2 2.6 scans 75% 273 m/z 1.0% 0.140% 1156 1.0 141 20266 0.174% 340743 307594 422697 1-6 18: 273 147 375 347 363 274 465 275 211 348 221 376 466 364 305 149 183 257 0.982 18.24 0.4 98 97 95 100 465 21.7 2.374 0.004 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1076 Pregnane?? 18.7850 1844.1 2.4 scans 98% 345 m/z 0.028% 3.74% 1207 0.8 762 776888 9099156 9099156 0-0 20: 345 73 346 255 147 347 334 204 191 256 435 419 372 133 148 74 257 239 75 348 0.997 18.86 -5.6 100 99 99 100 537 58.4 0.589 -0.073 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1074 Adenine 18.8787 1851.2 3.0 scans 29% 264 m/z 3.5% 0.0175% 1216 1.3 46 6150 0.0288% 42583 38705 69964 1-0 6: 264 279 265 266 192 84 0.938 18.94 -4.7 92 92 83 95 415 3.9 0.701 -0.060 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1072 Fructose 18.9502 1856.7 2.7 scans 97% 73 m/z 0.11% 1.19% 1223 0.9 400 188644 1.20% 2913237 2859337 2915152 2-0 20: 73 103 307 217 147 308 277 133 218 74 309 117 189 364 205 104 148 89 219 75 0.999 19.03 -6.3 100 99 99 99 364 42.9 1.148 -0.083 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1052 Fructose 19.0701 1865.8 5.1 scans 90% TIC 0.19% 0.778% 1234 1.0 317 115730 1.19% 1891943 1846721 2890859 0-1 0.999 19.10 -2.6 98 97 97 97 364 36.3 1.317 -0.034 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1070 Fructose 19.0701 1865.8 5.0 scans 83% 73 m/z (274) 0.18% 0.838% 1234 1.0 304 116022 2.24% 2037513 1813661 5441617 0-5 20: 73 307 217 103 147 308 218 277 364 89 309 74 189 365 204 133 148 104 219 262 0.988 19.19 -9.5 90 92 92 91 554 19.1 0.395 -0.124 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1054 Galactose 19.1901 1875.0 2.8 scans 74% 319 m/z 1.2% 0.0899% 1245 1.0 113 17197 0.482% 218489 218489 1170919 0-0 11: 319 205 320 160 321 133 206 229 157 89 161 0.979 19.22 -2.0 92 90 91 95 376 4.7 0.170 -0.026 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1064 Mannose 19.2932 1882.9 3.0 scans 98% 319 m/z 0.020% 8.83% 1255 0.6 1064 1078745 21473256 21267766 1-0 20: 319 73 205 147 320 160 217 321 103 206 117 74 133 229 129 157 189 148 204 161 0.999 19.45 -12.3 100 99 99 100 319 418.0 15.491 -0.162 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1059 Glucose 19.5247 1900.5 2.8 scans 95% TIC 0.082% 1.77% 1277 0.8 480 266698 4301454 3996228 1-1 0.997 19.55 -2.2 100 99 99 99 376 18.3 0.145 -0.027 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1061 Lysine 19.6057 1907.1 2.6 scans 67% 174 m/z 6.0% 0.0198% 1285 1.0 53 3623 48110 47862 2-0 7: 174 317 156 318 128 230 175 0.969 19.61 -0.5 88 88 81 90 434 5.8 1.177 -0.007 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN BRA4_R~2-N1010 Tyrosine 19.8035 1923.0 2.6 scans 55% 218 m/z 4.0% 0.0137% 1304 1.0 43 5387 0.0150% 33315 30812 36439 3-0 4: 218 280 179 220 0.939 19.82 -1.1 83 83 74 85 382 4.4 1.014 -0.014 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1056 Ascorbic acid 19.8930 1930.1 2.6 scans 92% 73 m/z 0.40% 0.314% 1312 1.0 209 54215 763028 667378 3-9 20: 73 332 147 333 205 117 334 374 359 345 74 449 133 148 149 361 331 303 375 75 0.999 19.99 -7.6 99 98 97 99 449 23.4 1.253 -0.093 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2896 1962.0 3.2 scans 69% TIC 2.2% 0.0511% 1350 1.1 79 9910 124335 124335 0-0 0.791 20.30 -0.5 81 85 80 83 433 7.8 0.966 -0.006 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1052 Gluconic acid 2 20.5064 1979.5 >4 scans 79% TIC 4.0% 0.0475% 1370 1.7 66 5483 0.107% 115476 111774 259934 0-1 0.982 20.60 -7.2 87 87 84 87 613 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6775 2076.9 2.8 scans 97% 305 m/z 0.015% 13.6% 1482 0.5 1321 1397838 33092360 30948970 1-1 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 320 433 367 133 129 291 148 1.000 21.75 -6.0 100 100 100 100 507 106.3 0.649 -0.072 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1042 myo-Inositol 21.7385 2082.1 >4 scans 61% TIC 13% 0.00644% 1488 1.7 33 1656 9.11% 15665 15665 22130861 0-0 0.985 21.77 -3.0 81 83 73 83 318 10.4 9.963 -0.035 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8616 2092.4 3.3 scans 96% 319 m/z 0.25% 0.743% 1499 1.1 286 86674 1806497 1759444 1-1 20: 319 73 205 147 320 217 103 321 206 117 74 204 229 133 148 157 129 291 149 75 0.999 21.93 -5.7 98 96 97 99 656 7.1 0.063 -0.068 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1836 2120.2 3.0 scans 87% TIC 0.62% 0.223% 1530 1.2 173 35438 0.263% 541961 539605 638904 0-1 0.956 22.19 -0.3 98 98 94 98 396 75.8 19.261 -0.002 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6718 2162.9 3.1 scans 90% 204 m/z 1.5% 0.0675% 1576 1.4 89 14029 0.0748% 164010 153929 181711 2-0 17: 204 73 205 361 217 206 147 117 249 218 74 131 191 129 103 219 148 0.990 22.71 -3.6 96 95 95 96 518 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN BRA4_R~4-N1012 Spermidine 22.8980 2182.6 3.0 scans 79% 200 m/z 17% 0.0124% 1598 1.7 37 1293 30234 26447 1-2 5: 200 174 201 172 86 0.991 22.90 -0.2 93 94 91 98 418 6.5 3.100 -0.002 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN WTF2-N1036 C18:0 23.4031 2228.0 3.3 scans 83% 341 m/z 7.1% 0.0250% 1646 1.8 51 3072 0.0295% 60841 58647 71664 0-2 8: 341 117 132 145 342 129 75 55 0.991 22.89 46.2 83 90 77 90 356 6.8 1.736 0.514 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN BRA4_R~2-N1006 Spermidine 23.5104 2237.8 2.8 scans 87% 144 m/z 4.1% 0.0452% 1656 1.0 81 5275 109858 106759 1-3 20: 144 174 73 116 156 160 86 172 170 142 100 145 157 59 130 175 201 146 186 115 0.992 23.51 0.1 99 99 98 99 490 6.9 0.740 0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1028 Glycerolgalactose 24.1312 2294.5 2.7 scans 79% 204 m/z 5.3% 0.0145% 1715 1.4 45 4088 0.0316% 35463 33400 76766 1-2 6: 204 73 217 337 205 147 0.976 24.01 11.0 88 88 83 88 490 0.0 0.000 0.121 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6563 2344.2 3.2 scans 93% 73 m/z 0.91% 0.251% 1765 0.5 155 24178 609901 554618 1-2 20: 73 331 217 147 191 262 307 421 205 319 103 218 305 259 332 74 422 376 333 192 0.997 24.65 0.6 97 96 95 97 466 8.8 0.323 0.006 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4492 2520.3 2.7 scans 87% 217 m/z 4.4% 0.0359% 1935 1.0 64 4947 0.0925% 87381 65041 224710 11-1 13: 217 73 204 218 205 147 305 740 129 175 741 131 74 0.989 26.52 -7.3 87 87 81 87 740 10.3 2.586 -0.072 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5334 2529.0 2.7 scans 79% 512 m/z 2.8% 0.0615% 1943 1.0 92 7647 149535 149535 0-1 12: 512 247 513 456 57 514 483 263 457 349 484 203 0.971 26.57 -4.1 96 96 86 95 512 35.2 14.571 -0.040 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN WTF2-N1032 Sucrose 26.6533 2541.4 2.8 scans 77% 437 m/z 13% 0.0129% 1954 1.0 41 1625 31556 29330 1-1 5: 437 217 361 273 438 0.981 26.87 -22.3 81 83 77 83 451 4.9 1.454 -0.217 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1010 Sucrose 27.4088 2620.0 7.0 scans 100% 451 m/z 0.0070% 38.3% 2026 0.9 1500 3127892 93162421 91969750 1-0 12: 451 438 439 453 291 441 374 260 228 381 355 482 0.998 27.58 -18.2 100 99 98 99 437 295.8 3.916 -0.170 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1020 Sucrose 27.4088 2620.0 7.0 scans 10% 451 m/z (361) 0.040% 4.04% 2026 0.9 479 548770 9834683 9708779 1-0 12: 451 438 439 453 291 441 374 260 228 381 355 482 0.444 27.46 -5.6 96 98 96 99 437 298.1 38.831 -0.052 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1016 Sucrose 27.4256 2621.8 6.4 scans 55% 306 m/z (362) 0.014% 20.5% 2028 0.3 1135 1571313 49930274 49930274 0-0 20: 306 227 289 377 294 433 379 261 464 378 279 182 82 310 434 60 329 162 421 136 0.843 27.48 -5.5 84 83 92 95 437 17.1 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN LQC1-N1008 Sucrose 27.4309 2622.4 6.3 scans 97% 361 m/z 0.0069% 37.3% 2029 0.2 1530 3181547 90833022 88588995 1-1 20: 361 73 217 362 147 103 271 129 169 218 243 191 319 74 219 117 133 75 272 189 0.999 27.59 -17.1 100 99 97 99 437 294.0 3.719 -0.160 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN TAB_REP6-N1070 Sucrose 27.4309 2622.4 6.3 scans 71% 361 m/z (437) 0.013% 27.8% 2029 0.2 1312 1649940 67757559 66083610 1-1 20: 361 73 217 362 147 103 271 129 169 218 243 191 319 74 219 117 133 75 272 189 0.972 27.41 2.3 92 92 71 97 451 13.7 0.000 0.021 G:\GCMS data\Nicotiana Panel polar\B WA_REP1.FIN GUA35_L1-N1020 Galactinol 30.6443 2984.1 3.0 scans 91% 204 m/z 2.1% 0.0424% 2334 1.1 73 10202 103027 97305 1-4 13: 204 73 205 217 191 147 433 206 129 103 218 230 265 0.992 30.55 11.7 81 80 86 81 641 0.0 0.000 0.099 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN EXBLK5S-N1006 Contamination 6.3393 1046.4 3.1 scans 68% 207 m/z 0.74% 0.214% 24 1.7 118 29244 448784 283701 10-6 20: 207 295 73 208 296 209 191 279 297 192 189 193 133 74 177 280 210 247 265 298 0.946 6.63 -16.9 98 98 94 98 295 37.1 9.836 -0.286 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.7907 1073.1 >7 scans 34% 147 m/z 6.1% 0.0243% 67 0.6 43 3518 0.162% 50907 50285 338214 0-1 4: 147 117 73 191 0.914 6.82 -1.8 89 91 84 93 295 2.9 0.000 -0.030 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1194 Alanine 7.3736 1107.7 8.7 scans 82% 73 m/z 0.87% 0.237% 122 2.0 98 24786 0.481% 495540 475803 1004203 4-0 1: 73 0.992 7.40 -1.8 97 96 95 97 283 3.7 0.140 -0.030 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN A-KETO~2-N1006 Contamination?? 7.8966 1138.7 3.1 scans 72% TIC 2.3% 0.0355% 172 0.8 71 9280 0.182% 74198 74198 379969 0-0 0.972 7.96 -3.5 98 97 95 98 156 38.4 29.579 -0.060 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1192 Contamination 7.9818 1143.7 2.7 scans 75% 73 m/z 2.6% 0.0491% 180 1.1 82 8154 0.102% 102541 99788 212949 2-0 17: 73 147 133 235 220 146 86 160 148 59 72 89 131 103 74 149 117 0.974 7.99 -0.5 96 95 94 96 235 15.6 3.606 -0.007 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1188 Contamination 8.3732 1166.9 4.6 scans 66% 281 m/z 2.8% 0.0539% 217 1.7 63 7668 0.0689% 112604 108835 143845 2-5 9: 281 147 369 282 283 370 265 249 371 0.878 8.41 -2.5 99 98 95 99 369 20.0 9.908 -0.042 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1184 Valine 9.1645 1213.7 3.6 scans 76% 144 m/z 1.6% 0.0571% 293 0.7 71 13427 0.0672% 119347 113132 140296 1-3 7: 144 73 218 145 146 219 100 0.967 9.19 -1.3 97 96 90 97 218 22.4 9.959 -0.024 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1180 Benzoic acid 9.7295 1246.7 2.9 scans 74% 179 m/z 2.9% 0.0469% 346 1.1 68 7440 98007 88499 1-8 9: 179 105 135 77 180 136 147 194 106 0.928 9.76 -1.8 90 86 86 98 194 9.6 1.996 -0.029 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1178 Ethanolamine 9.9936 1262.2 3.7 scans 79% 174 m/z 1.0% 0.0967% 371 0.9 89 20024 0.172% 202038 181744 359091 2-0 9: 174 175 176 100 86 130 59 133 262 0.979 10.03 -2.3 99 98 95 98 262 9.8 1.229 -0.040 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN VEN77_S6-N1002 Glycerol 10.0589 1266.0 2.5 scans 71% 299 m/z 0.18% 0.391% 378 1.1 217 116862 817587 747339 1-3 16: 299 300 314 301 211 283 315 188 193 302 316 135 225 181 212 137 0.976 10.09 -2.0 99 98 94 99 299 136.2 39.440 -0.035 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LACTIC~1-N1034 Glycerol 10.0915 1267.9 3.2 scans 92% 147 m/z (299) 0.54% 0.369% 381 0.7 180 40063 0.400% 770676 721145 835096 1-3 17: 147 205 117 103 218 206 148 204 129 175 149 101 219 177 118 89 220 0.968 10.11 -1.1 95 94 94 99 293 11.5 0.409 -0.019 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2261 1275.8 2.7 scans 85% 73 m/z 1.1% 0.0746% 393 1.1 93 18462 155922 150347 1-1 11: 73 198 211 77 70 199 74 239 212 289 143 0.978 10.24 -0.8 97 96 93 96 381 10.9 1.385 -0.014 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1176 Isoleucine 10.4208 1287.2 2.8 scans 69% 158 m/z 2.6% 0.0375% 412 1.1 64 8105 0.0395% 78300 70546 82466 1-1 8: 158 159 218 117 219 232 160 205 0.970 10.46 -2.2 90 87 86 94 260 0.0 0.000 -0.038 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1012 Proline 10.5081 1292.3 2.9 scans 93% TIC 0.16% 0.371% 420 0.8 207 130374 2.32% 776428 771086 4843557 2-0 0.994 10.53 -1.5 100 99 99 100 216 38.9 3.555 -0.025 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5818 1296.6 2.5 scans 92% 147 m/z 0.25% 0.285% 427 1.1 193 84710 1.59% 595632 595632 3319507 0-0 20: 147 73 245 148 75 149 83 133 246 74 115 170 143 84 126 59 54 247 72 61 0.990 10.60 -1.2 98 97 98 98 245 45.5 5.543 -0.020 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1170 Glycine 10.6470 1300.4 2.8 scans 69% 174 m/z 1.5% 0.0521% 433 1.0 78 14179 0.145% 108962 108962 302722 0-0 10: 174 248 175 86 276 176 100 249 59 250 0.991 10.69 -2.4 92 92 86 92 276 12.7 2.655 -0.040 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7249 1305.1 3.0 scans 90% TIC 0.073% 1.40% 441 1.5 360 293883 2.18% 2939123 2759032 4551274 2-2 0.963 10.76 -2.0 99 98 98 100 251 81.9 5.189 -0.033 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN EXBLK5S-N1004 d4-Succinic acid 10.7438 1306.3 2.7 scans 33% 200 m/z (147) 1.8% 0.145% 443 1.2 124 11584 0.201% 304036 288228 419636 2-1 14: 200 110 208 297 69 228 70 249 201 298 184 174 108 229 0.786 10.76 -1.0 82 89 52 88 251 4.5 0.000 -0.018 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1168 Glyceric acid 11.0090 1322.2 2.4 scans 96% 73 m/z 0.22% 0.568% 468 1.0 274 94772 1187542 1140603 1-4 20: 73 147 292 189 133 103 205 293 102 190 117 307 148 75 294 74 149 59 191 101 0.998 11.05 -2.7 100 99 99 100 292 83.9 9.367 -0.045 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0669 1325.7 2.6 scans 79% TIC 4.3% 0.0387% 473 1.0 70 5025 0.552% 80999 80999 1152433 0-0 0.977 11.06 0.2 96 95 91 98 285 21.1 9.206 0.004 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1018 Uracil 11.1279 1329.4 2.4 scans 66% TIC 7.9% 0.0147% 479 2.8 44 2733 0.0318% 30727 30727 66390 0-0 0.959 11.15 -1.2 95 95 85 99 256 15.0 11.663 -0.020 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1162 Fumaric acid 11.3510 1342.8 2.5 scans 95% 245 m/z 0.25% 0.348% 500 1.2 209 86004 728512 701901 2-1 20: 245 147 73 246 75 143 247 83 133 148 240 149 115 74 155 84 59 58 61 53 0.998 11.39 -2.5 99 98 98 98 245 116.8 31.238 -0.042 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4509 1348.8 2.9 scans 42% 57 m/z (84) 1.1% 0.0958% 510 1.1 99 18141 0.114% 200205 186115 238002 2-0 15: 57 145 115 97 55 127 56 69 129 111 128 109 71 98 87 0.961 11.45 0.3 90 90 95 99 145 29.4 8.831 0.005 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4604 1349.4 2.9 scans 55% 84 m/z (57 204) 0.84% 0.111% 511 1.1 109 25761 0.157% 232117 232117 327775 0-0 20: 84 133 161 162 119 65 85 118 82 63 51 91 130 134 117 104 64 67 106 54 0.950 10.96 30.4 91 98 95 98 161 28.0 6.642 0.504 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1160 Serine 11.5046 1352.1 2.5 scans 97% TIC 0.10% 1.13% 515 0.9 380 202897 1.30% 2371265 2278920 2714062 0-1 0.999 11.56 -3.1 100 99 99 99 306 40.2 1.121 -0.052 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1022 Thymine 11.5877 1357.1 2.6 scans 68% 255 m/z 2.8% 0.0220% 523 1.1 51 7613 46111 44444 1-2 6: 255 256 270 257 120 269 0.927 11.60 -0.7 98 98 87 99 270 17.3 11.297 -0.011 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7213 1365.1 3.5 scans 70% TIC 3.0% 0.0520% 536 1.4 68 7010 0.0775% 108640 95646 161800 1-2 0.893 11.79 -3.8 85 83 85 93 262 8.0 1.392 -0.064 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1024 Threonine 11.9128 1376.6 2.5 scans 96% 73 m/z 0.34% 0.411% 554 1.0 229 61976 0.435% 858717 853448 908167 1-1 20: 73 218 219 117 291 292 147 101 220 100 57 74 75 293 132 203 128 129 221 320 0.999 11.92 -0.5 100 100 99 100 320 21.2 0.853 -0.008 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1148 Glutamine?? 13.2838 1461.9 2.7 scans 90% 155 m/z 0.48% 0.182% 684 1.2 149 45126 0.216% 380219 368934 450952 2-1 19: 155 73 147 156 139 229 59 100 157 74 148 72 84 230 257 149 131 231 140 0.979 13.35 -4.0 96 93 96 98 257 12.3 0.679 -0.063 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1146 Malic acid 13.5332 1477.6 2.4 scans 98% 73 m/z 0.043% 2.70% 708 0.7 589 494343 5647222 5565463 0-1 20: 73 147 233 245 133 189 75 148 190 335 175 191 149 74 101 55 234 217 265 307 1.000 13.62 -5.2 100 99 99 99 350 14.5 0.061 -0.084 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1142 Erythritol/Threitol 13.7089 1488.7 5.7 scans 79% TIC 4.0% 0.0349% 724 1.2 61 5357 2.44% 72927 72277 5094086 1-0 0.958 13.89 -11.4 89 89 83 90 320 0.0 0.000 -0.181 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1144 Contamination Parabanica acid 13.7415 1490.7 >3 scans 53% TIC 10% 0.0107% 728 1.2 41 2106 1.65% 22419 22419 3444771 0-0 0.870 13.81 -4.1 88 89 66 91 243 18.3 20.262 -0.064 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1028 Aspartic acid 14.0162 1508.4 2.5 scans 29% 232 m/z (73) 0.60% 0.122% 754 1.1 121 35813 255089 249979 1-1 20: 232 233 100 218 202 188 149 306 117 216 142 70 334 174 101 220 132 115 349 172 0.918 14.02 -0.1 94 95 92 98 258 5.8 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1140 Aspartic acid 14.0204 1508.7 3.0 scans 68% 73 m/z (156) 0.40% 0.326% 754 1.1 184 54064 681303 651403 1-1 20: 73 147 75 74 59 148 133 231 72 149 174 58 260 55 220 132 115 349 131 66 0.983 14.09 -4.4 93 93 93 97 349 9.8 0.282 -0.067 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0204 1508.7 3.0 scans 68% 73 m/z (232) 0.36% 0.325% 754 1.1 184 60001 678593 648811 1-1 20: 73 147 75 74 59 148 133 231 72 149 174 58 260 55 220 132 115 349 131 66 0.984 14.03 -0.6 95 96 96 98 258 33.3 3.269 -0.010 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0256 1509.1 2.9 scans 67% 156 m/z (232) 0.36% 0.235% 755 1.0 157 59996 490954 486696 0-1 14: 156 230 157 258 158 259 86 140 121 112 154 56 67 228 0.986 14.11 -5.6 94 94 96 99 273 7.5 0.229 -0.084 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1032 GABA 14.1824 1519.5 2.6 scans 88% 174 m/z 0.59% 0.181% 769 1.1 147 36287 0.201% 378307 377503 419636 0-1 16: 174 304 147 175 305 176 75 86 306 100 216 148 172 130 133 74 0.996 14.19 -0.3 99 98 96 98 304 46.4 9.919 -0.006 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3266 1529.0 2.8 scans 31% 239 m/z 9.1% 0.00894% 783 1.0 32 2358 18673 18673 0-0 5: 239 342 263 240 343 0.967 14.37 -3.2 84 85 47 87 342 15.0 21.343 -0.047 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3592 1531.2 >4 scans 76% TIC 5.8% 0.0288% 786 1.8 50 3703 0.337% 60261 60261 703568 0-0 0.941 14.62 -17.4 86 87 78 87 409 0.0 0.000 -0.262 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6085 1547.7 2.4 scans 97% 73 m/z 0.16% 0.784% 810 1.0 325 134528 1638477 1564536 1-1 20: 73 292 147 220 293 205 217 117 103 221 148 294 74 133 319 206 291 149 102 75 1.000 14.69 -5.5 100 99 98 99 409 24.6 0.574 -0.083 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7359 1556.2 2.7 scans 62% 174 m/z 0.49% 0.175% 822 1.0 145 43410 366913 346433 1-1 20: 174 86 175 176 250 100 59 130 65 117 251 162 87 116 131 85 158 144 102 172 0.945 14.16 37.9 91 95 90 99 250 28.1 3.744 0.571 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1036 Glutamic acic 15.5019 1607.3 2.5 scans 62% TIC 6.3% 0.00995% 895 1.1 39 3421 0.0650% 20784 20784 135703 0-0 0.911 15.50 -0.1 95 97 88 97 363 4.3 1.224 -0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1118 Phenylalanine 15.6018 1614.2 2.8 scans 75% 218 m/z (267) 2.4% 0.0580% 904 1.1 81 8950 121265 121265 0-1 6: 218 192 219 266 100 220 0.982 15.66 -4.0 93 93 92 97 294 5.6 0.479 -0.057 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1038 Xylose 15.8870 1634.0 2.9 scans 60% 103 m/z 7.0% 0.0171% 932 0.9 44 3062 0.151% 35765 33308 315249 0-1 3: 103 217 307 0.937 15.89 -0.2 90 91 86 92 307 13.4 9.470 -0.003 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1040 Xylose 16.0037 1642.1 2.6 scans 89% 73 m/z 1.2% 0.106% 943 1.1 117 17636 222935 222680 1-0 20: 73 103 307 217 147 160 308 189 204 309 277 133 205 104 74 89 75 201 129 219 0.993 16.00 0.0 98 98 96 98 307 33.1 8.074 -0.000 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1042 Ribose 16.1016 1648.9 3.1 scans 78% TIC 2.8% 0.0446% 952 0.6 73 7689 0.347% 93315 90950 724446 1-0 0.978 16.10 -0.1 94 93 91 95 307 20.0 7.634 -0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.2268 1657.6 2.8 scans 37% 290 m/z 2.9% 0.0186% 964 1.7 43 7463 39008 37657 1-1 4: 290 291 292 392 0.848 16.28 -3.5 91 94 63 93 392 8.4 3.857 -0.049 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1108 Ribose 16.3163 1663.8 3.3 scans 84% TIC 1.7% 0.0995% 972 0.5 93 12291 0.284% 207794 206390 592918 0-2 0.977 16.38 -4.1 92 92 90 93 467 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6130 1684.4 2.7 scans 89% TIC 1.2% 0.143% 1000 1.4 127 18028 0.207% 300458 278744 432162 1-0 0.994 16.68 -4.4 99 98 97 98 497 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1104 Rhamnose 16.8739 1702.7 2.5 scans 62% 117 m/z 3.2% 0.0332% 1025 1.1 65 6578 0.0955% 69480 66934 199379 2-0 6: 117 160 277 118 392 161 0.930 16.93 -4.2 80 82 80 84 392 9.3 2.060 -0.058 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9255 1706.5 4.8 scans 55% TIC 8.7% 0.0161% 1030 2.3 47 2472 0.366% 33786 33786 764113 0-0 0.944 16.99 -4.6 83 84 79 84 422 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9970 1711.7 2.8 scans 84% 73 m/z 1.5% 0.111% 1037 1.4 113 14081 0.445% 232583 227560 929044 1-1 19: 73 217 147 205 319 103 307 218 129 204 189 321 320 308 219 243 74 148 206 0.971 17.06 -4.8 92 91 90 91 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1096 Putrescine 17.1875 1725.6 2.5 scans 41% 174 m/z 4.7% 0.00885% 1055 1.0 34 4591 18493 18493 1-0 1: 174 0.992 17.25 -4.4 89 89 82 89 458 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3779 1739.5 2.7 scans 53% 292 m/z (345) 5.6% 0.0266% 1073 1.1 57 3841 0.0272% 55729 55729 56787 0-0 6: 292 333 307 217 334 293 0.964 17.44 -4.8 89 92 86 91 511 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5663 1753.2 2.7 scans 88% TIC 0.66% 0.136% 1091 1.5 130 32382 0.674% 284084 284084 1407137 0-0 0.988 17.63 -4.8 93 92 90 93 450 22.4 2.940 -0.066 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6915 1762.4 4.2 scans 88% 73 m/z (319) 0.46% 0.574% 1103 0.8 202 46554 0.949% 1200418 1071280 1981265 1-0 20: 73 147 133 217 206 74 59 148 101 131 72 218 287 286 177 142 230 127 212 132 0.991 17.70 -0.5 97 98 97 99 375 22.8 1.276 -0.008 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1046 Shikimic acid 18.1250 1794.0 2.9 scans 81% TIC 0.89% 0.0937% 1144 1.1 110 24187 0.390% 195700 190878 814219 1-0 0.970 18.13 0.0 94 94 90 94 372 14.0 1.611 -0.000 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1048 Citric acid 18.2470 1803.1 2.7 scans 69% 273 m/z 1.4% 0.125% 1156 1.0 119 14527 0.157% 261994 233163 327775 2-6 18: 273 147 375 347 363 274 465 275 211 148 348 364 183 221 349 67 257 377 0.993 18.24 0.3 98 97 95 99 465 19.0 2.557 0.003 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1076 Pregnane?? 18.7847 1844.1 2.5 scans 98% 345 m/z 0.028% 4.36% 1207 0.7 742 765000 9103115 9103115 0-0 20: 345 73 346 255 147 347 204 334 191 256 435 419 372 133 74 148 257 239 75 348 0.998 18.86 -5.6 100 99 99 100 537 58.6 0.628 -0.073 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN WTF2-N1018 Fructose 18.8931 1852.3 >3 scans 66% TIC 2.8% 0.0545% 1217 1.3 79 7695 5.04% 113976 113976 10522211 0-0 0.881 18.52 28.0 83 82 86 94 364 9.5 1.469 0.368 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1072 Fructose 18.9478 1856.5 2.6 scans 95% 73 m/z 0.12% 1.29% 1222 0.9 393 179584 1.32% 2713949 2488605 2755817 1-1 20: 73 103 307 217 147 308 218 133 277 309 364 117 74 205 189 104 148 89 219 75 1.000 19.03 -6.5 100 99 99 99 364 43.2 1.209 -0.085 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1070 Fructose 19.0415 1863.7 >2 scans 89% 73 m/z 0.24% 0.624% 1231 0.9 274 88599 2.69% 1304179 1252456 5616021 2-0 20: 73 307 103 217 147 205 308 189 133 218 277 191 117 74 262 231 334 72 105 319 0.998 19.19 -11.6 85 82 88 87 554 7.8 0.082 -0.153 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1050 Fructose 19.0415 1863.7 >2 scans 87% TIC 0.25% 0.615% 1231 0.9 271 86180 2.58% 1285866 1212394 5386370 2-0 0.998 18.98 4.7 85 83 89 86 364 14.0 0.266 0.061 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1052 Fructose 19.0667 1865.6 5.1 scans 90% 73 m/z 0.20% 0.848% 1234 1.1 304 106886 2.65% 1770737 1769756 5532512 0-1 20: 73 217 307 103 147 308 364 218 117 309 277 89 262 263 104 74 133 219 189 205 0.998 19.10 -2.8 97 96 97 97 364 35.0 1.324 -0.037 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1064 Mannose 19.2771 1881.6 2.6 scans 98% 319 m/z 0.052% 3.34% 1254 0.8 636 411191 6982554 6982554 0-0 20: 319 73 205 147 160 320 217 321 103 206 117 133 229 129 74 204 148 157 189 161 1.000 19.45 -13.6 100 98 99 99 319 240.0 14.255 -0.178 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1059 Glucose 19.5160 1899.8 2.7 scans 89% 73 m/z 0.24% 0.701% 1276 0.9 276 90249 1463672 1418576 3-0 20: 73 319 205 147 320 160 103 217 321 206 117 74 133 229 129 207 157 89 204 148 0.997 19.55 -2.9 99 97 98 98 376 10.5 0.144 -0.036 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1061 Lysine 19.5991 1906.5 2.6 scans 60% 174 m/z 11% 0.0118% 1284 1.3 38 1921 24682 22335 1-1 5: 174 317 156 128 318 0.951 19.61 -1.1 83 85 76 85 434 0.0 0.000 -0.014 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1056 Ascorbic acid 19.8895 1929.9 2.6 scans 89% 332 m/z 0.98% 0.135% 1312 0.9 130 22003 0.234% 283487 269570 488531 5-1 19: 332 73 147 333 205 117 374 334 359 361 133 148 331 345 74 449 206 375 215 0.994 19.99 -7.8 98 97 94 97 449 13.8 1.130 -0.096 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2904 1962.1 2.9 scans 71% 73 m/z 1.8% 0.0696% 1350 1.1 90 11709 145495 143011 1-0 17: 73 394 217 147 103 395 333 205 308 435 74 277 148 433 133 189 221 0.789 20.30 -0.4 86 88 83 87 433 8.9 0.991 -0.006 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1052 Gluconic acid 2 20.5093 1979.7 2.7 scans 72% 292 m/z (204) 7.1% 0.0249% 1371 0.8 53 3018 0.0535% 52058 52058 111694 0-0 4: 292 319 333 103 0.965 20.60 -7.0 82 84 78 84 613 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6762 2076.8 2.9 scans 97% 305 m/z 0.015% 15.6% 1482 0.4 1288 1364410 32606775 30772888 1-1 20: 305 217 318 73 147 191 306 319 265 204 307 218 432 320 433 367 133 129 291 192 1.000 21.75 -6.1 100 100 100 100 507 106.0 0.679 -0.073 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8656 2092.7 3.4 scans 95% 319 m/z 0.25% 0.900% 1500 1.1 283 84709 1881001 1696230 2-2 20: 319 73 205 147 320 217 262 321 206 117 74 204 229 157 89 148 129 263 291 191 1.000 21.93 -5.4 97 95 97 99 656 6.3 0.050 -0.064 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1823 2120.1 2.8 scans 93% TIC 0.34% 0.432% 1530 1.2 220 62517 0.460% 902928 875708 960360 0-2 0.987 22.19 -0.4 98 97 93 97 396 99.6 20.511 -0.004 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6757 2163.2 3.1 scans 89% 204 m/z 1.7% 0.0633% 1577 1.2 81 12455 0.0719% 132287 128596 150109 1-0 13: 204 73 205 147 217 361 145 206 249 117 191 218 129 0.995 22.71 -3.3 95 94 94 96 518 0.0 0.000 -0.038 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN BRA4_R~4-N1012 Spermidine 22.8967 2182.5 4.2 scans 61% 174 m/z 20% 0.0105% 1598 2.0 29 1050 21942 21942 0-0 3: 174 200 201 0.966 22.90 -0.3 86 88 79 92 418 5.4 3.536 -0.003 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN WTF2-N1036 C18:0 23.4081 2228.4 3.4 scans 80% 341 m/z 10% 0.0183% 1646 1.9 41 2147 0.0234% 38366 36902 48853 1-0 6: 341 117 145 342 129 132 1.000 22.89 46.6 81 89 74 89 356 5.9 2.072 0.519 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN BRA4_R~2-N1006 Spermidine 23.5154 2238.2 2.8 scans 79% TIC 10% 0.0235% 1656 1.2 47 2014 0.0401% 49113 39781 83718 3-3 0.977 23.51 0.5 90 91 90 91 490 3.4 0.536 0.006 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1320 2294.6 2.6 scans 86% 204 m/z 2.9% 0.0344% 1715 1.2 64 7263 0.0367% 72010 64628 76620 2-2 11: 204 73 337 205 217 147 129 103 206 218 338 1.000 24.01 11.1 90 88 89 91 490 0.0 0.000 0.122 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6570 2344.3 3.2 scans 95% 73 m/z 0.80% 0.312% 1765 0.6 162 26785 651821 640081 1-1 20: 73 331 191 147 217 307 205 421 262 319 103 305 332 333 218 422 204 259 263 291 0.999 24.65 0.7 97 97 96 97 466 10.4 0.408 0.007 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4479 2520.1 2.7 scans 85% 73 m/z 5.8% 0.0242% 1935 0.9 52 3695 0.0717% 50663 43895 149691 4-1 10: 73 204 217 740 129 218 147 219 305 205 0.990 26.52 -7.5 81 82 76 82 740 7.8 2.264 -0.073 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5342 2529.0 3.2 scans 86% TIC 2.5% 0.0971% 1943 1.5 97 8549 202811 202194 0-2 0.954 26.57 -4.1 96 95 88 95 512 35.6 13.444 -0.039 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN WTF2-N1032 Sucrose 26.6541 2541.4 2.6 scans 84% 361 m/z 9.4% 0.0172% 1955 0.9 45 2295 35951 35895 0-1 6: 361 73 437 217 273 362 0.979 26.87 -22.3 81 82 75 83 451 5.3 1.349 -0.216 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1010 Sucrose 27.4085 2620.0 6.5 scans 100% 437 m/z 0.0068% 42.3% 2026 0.8 1478 3148699 88503821 87667148 1-0 16: 437 451 438 439 452 453 440 435 193 481 179 256 316 162 468 238 0.998 27.58 -18.2 100 99 98 99 437 293.7 3.976 -0.170 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1020 Sucrose 27.4085 2620.0 6.5 scans 10% 437 m/z (361) 0.039% 4.47% 2026 0.8 474 545098 9337243 9248973 1-0 16: 437 451 438 439 452 453 440 435 193 481 179 256 316 162 468 238 0.801 27.46 -5.6 93 96 92 99 437 294.1 38.618 -0.052 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1018 Sucrose 27.4190 2621.1 6.4 scans 50% 331 m/z (73) 0.0067% 21.9% 2027 0.2 1060 3200434 45777813 45082501 1-0 16: 331 305 321 333 307 373 97 172 335 374 465 194 278 336 186 380 0.907 27.47 -5.4 89 92 55 91 437 295.1 7.829 -0.051 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN TAB_REP6-N1070 Sucrose 27.4233 2621.6 6.4 scans 78% 361 m/z (362) 0.0070% 34.6% 2028 0.2 1333 3069787 72378640 71935391 1-0 20: 361 332 220 317 435 322 349 54 70 208 235 176 77 323 60 465 295 456 395 266 0.992 27.41 1.5 87 89 69 91 451 0.0 0.000 0.013 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1008 Sucrose 27.4306 2622.4 6.2 scans 100% 73 m/z 0.0067% 41.4% 2029 0.2 1514 3200434 86548106 84495471 1-1 20: 73 217 147 271 103 169 129 218 243 319 191 219 74 272 189 205 204 133 230 148 0.999 27.59 -17.1 100 99 98 99 437 286.2 3.600 -0.160 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1016 Sucrose 27.4306 2622.4 6.2 scans 48% 73 m/z (361) 0.014% 20.4% 2029 0.2 1054 1458277 42734837 41721308 1-1 20: 73 217 147 271 103 169 129 218 243 319 191 219 74 272 189 205 204 133 230 148 0.976 27.48 -4.9 90 92 95 95 437 16.7 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\B WA_REP2.FIN LQC1-N1006 Trehalose 28.3723 2724.1 3.1 scans 62% TIC 14% 0.00567% 2118 0.9 31 1453 0.0159% 11851 11851 33195 0-0 0.961 28.47 -10.8 80 80 61 87 565 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN EXBLK5S-N1006 Contamination 6.5984 1061.7 3.0 scans 47% 207 m/z 1.6% 0.0411% 49 1.4 79 15983 0.0722% 302940 129629 531954 5-24 9: 207 295 208 209 296 191 297 193 189 0.959 6.63 -1.6 97 97 90 97 295 24.3 9.397 -0.027 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.8151 1074.6 12.4 scans 28% 117 m/z 9.8% 0.00727% 69 0.4 35 2735 0.0127% 53587 51144 93571 0-3 2: 117 147 0.846 6.82 -0.3 92 97 86 96 295 2.6 0.000 -0.006 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1194 Alanine 7.4001 1109.3 9.7 scans 81% 116 m/z 0.83% 0.103% 125 0.7 108 32421 0.119% 763440 755357 876766 0-1 2: 116 117 0.984 7.40 -0.2 97 96 95 97 283 0.0 0.000 -0.004 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN A-KETO~2-N1006 Contamination?? 7.9168 1139.9 2.7 scans 72% 156 m/z 2.5% 0.0140% 174 1.0 72 10751 0.0212% 103804 91434 156197 8-3 6: 156 75 55 157 54 76 0.964 7.96 -2.3 98 98 94 98 156 39.5 29.957 -0.040 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1192 Contamination 7.9999 1144.8 2.8 scans 67% 73 m/z 4.0% 0.0120% 182 1.3 70 6691 0.0293% 88944 88944 215876 0-0 12: 73 147 133 235 220 146 167 100 59 72 103 86 0.961 7.99 0.6 92 93 87 92 235 13.9 3.979 0.011 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1188 Contamination 8.3776 1167.2 5.1 scans 81% TIC 2.7% 0.0237% 218 2.0 75 9949 0.0560% 174878 174407 412596 1-0 0.988 8.41 -2.2 98 97 83 99 369 21.4 8.052 -0.037 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1190 Contamination 8.4776 1173.1 2.9 scans 64% 73 m/z 4.1% 0.00819% 227 1.2 56 6536 0.0196% 60339 58966 144409 1-0 9: 73 140 211 198 77 70 186 126 215 0.979 8.48 -0.4 94 94 89 94 309 5.3 0.870 -0.006 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1186 Phosphate 8.5512 1177.5 2.4 scans 62% 241 m/z 2.5% 0.00948% 234 1.1 63 10739 69903 64498 1-2 9: 241 242 211 163 243 256 133 135 195 0.877 8.56 -0.5 92 91 82 96 299 0.0 0.000 -0.010 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1184 Valine 9.1731 1214.2 3.8 scans 88% 144 m/z 0.63% 0.0643% 293 0.6 128 42477 0.0683% 474374 423966 503220 5-4 14: 144 73 218 145 147 219 146 100 74 59 132 220 148 203 0.997 9.19 -0.8 99 98 97 99 218 37.4 8.602 -0.015 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1180 Benzoic acid 9.7392 1247.3 3.1 scans 68% 179 m/z 4.7% 0.0121% 347 1.0 60 5671 89310 74731 2-4 7: 179 105 135 77 180 136 194 0.905 9.76 -1.2 86 82 80 95 194 8.5 2.024 -0.020 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1178 Ethanolamine 9.9980 1262.4 4.3 scans 92% TIC 0.26% 0.169% 372 1.0 201 102761 3.43% 1249565 1134081 25271504 2-0 0.995 10.03 -2.1 100 99 98 99 262 21.2 1.113 -0.036 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN VEN77_S6-N1002 Glycerol 10.1011 1268.5 4.2 scans 100% 73 m/z (147) 0.012% 3.41% 382 0.6 923 2122235 3.61% 25171625 24179810 26597706 1-2 18: 73 133 74 75 131 59 119 134 72 163 58 66 178 55 60 76 164 90 0.984 10.09 0.5 98 99 98 100 299 555.0 36.394 0.007 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LACTIC~1-N1034 Glycerol 10.1074 1268.8 3.0 scans 33% 147 m/z (299) 0.074% 0.909% 382 0.6 531 365207 0.928% 6698439 6162569 6837305 4-2 20: 147 205 117 103 218 206 148 204 149 129 175 203 219 101 217 177 293 118 89 104 0.942 10.11 -0.2 93 96 93 98 293 38.5 0.527 -0.003 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2411 1276.7 2.6 scans 82% 73 m/z 1.2% 0.0226% 395 1.0 96 21737 166888 158190 1-1 15: 73 198 77 211 70 199 74 239 289 381 212 170 72 63 143 0.973 10.24 0.1 97 96 94 97 381 10.7 1.248 0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1176 Isoleucine 10.4336 1287.9 3.4 scans 87% TIC 0.71% 0.0488% 413 1.4 124 37703 0.912% 359643 359086 6719420 1-0 0.994 10.46 -1.5 98 96 94 99 260 8.8 0.504 -0.025 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1012 Proline 10.5230 1293.2 2.9 scans 95% TIC 0.045% 0.526% 422 0.7 425 597105 2.24% 3876829 3876829 16503840 0-0 0.996 10.53 -0.6 100 98 99 100 216 79.0 3.461 -0.010 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1014 Maleic acid 10.5978 1297.5 2.6 scans 92% 147 m/z 0.10% 0.256% 429 0.8 322 252380 1.53% 1890195 1890195 11272712 0-0 20: 147 73 245 148 75 83 149 133 74 246 143 115 170 126 84 59 242 247 58 215 0.984 10.60 -0.3 99 98 98 99 245 73.4 5.210 -0.004 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1170 Glycine 10.6556 1300.9 3.7 scans 67% TIC 0.89% 0.0240% 434 0.9 115 30378 1.62% 177411 177411 11935813 0-0 0.972 10.69 -1.9 97 97 89 97 276 18.6 2.649 -0.031 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7451 1306.3 2.8 scans 96% TIC 0.026% 1.26% 443 0.8 643 1036393 9287718 8963101 0-2 0.994 10.76 -0.8 99 97 96 99 251 152.1 5.618 -0.013 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1168 Glyceric acid 11.0176 1322.7 2.6 scans 97% TIC 0.16% 0.300% 469 1.0 339 161928 0.315% 2212166 2182653 2320852 1-1 0.997 11.05 -2.2 100 99 99 100 292 102.7 9.152 -0.036 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0765 1326.3 >3 scans 64% TIC 9.4% 0.00533% 474 1.5 50 2868 0.233% 39326 39326 1716694 0-0 0.954 11.06 0.8 93 93 87 96 285 15.3 9.299 0.014 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1018 Uracil 11.1365 1329.9 2.6 scans 67% 241 m/z 4.8% 0.00822% 480 1.5 56 5586 60565 59883 0-3 10: 241 255 99 256 242 257 113 100 243 183 0.911 11.15 -0.7 95 93 89 99 256 17.7 10.006 -0.012 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1162 Fumaric acid 11.3596 1343.3 2.4 scans 96% 245 m/z 0.13% 0.218% 501 1.1 302 197290 1606936 1514021 2-2 20: 245 147 73 246 75 143 247 83 148 133 149 115 84 74 155 53 61 59 157 58 0.999 11.39 -2.0 100 99 99 100 245 169.2 31.418 -0.033 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4553 1349.1 3.1 scans 55% 57 m/z 1.4% 0.0283% 510 1.1 97 18989 0.0528% 208987 207264 389019 1-0 14: 57 97 145 115 127 69 56 129 59 111 71 128 72 98 0.951 11.45 0.6 86 81 93 97 145 27.5 8.111 0.009 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4679 1349.8 3.3 scans 47% 84 m/z 1.0% 0.0332% 511 1.3 102 26834 0.0406% 244929 236973 299132 1-0 20: 84 133 161 162 92 65 82 119 51 63 91 118 130 134 64 104 81 93 52 80 0.703 10.96 30.8 89 91 90 93 161 26.1 6.540 0.512 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1160 Serine 11.5069 1352.2 2.7 scans 95% TIC 0.17% 0.289% 515 0.9 322 156404 0.331% 2133082 2077357 2438737 0-1 0.995 11.56 -3.0 100 99 98 99 306 32.7 1.036 -0.050 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN BRA4_R~2-N1008 Thymine 11.5921 1357.3 3.0 scans 56% 255 m/z 8.1% 0.00420% 523 1.1 38 3338 30996 30996 0-1 4: 255 144 270 256 0.880 11.58 0.5 90 88 72 99 270 11.0 8.505 0.008 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1024 Threonine 11.9162 1376.8 2.6 scans 96% 73 m/z 0.29% 0.168% 554 1.1 262 90370 1242381 1202480 1-2 20: 73 218 219 117 291 292 147 101 220 57 75 100 74 203 128 133 293 132 221 129 0.998 11.92 -0.3 100 99 99 100 320 23.1 0.779 -0.005 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2819 1461.8 2.7 scans 10% 247 m/z (155) 3.4% 0.00975% 684 1.0 60 7961 0.0113% 71852 68433 83256 1-1 13: 247 259 248 115 189 321 203 349 233 69 185 249 163 0.566 13.31 -1.5 85 93 36 88 349 10.8 3.200 -0.024 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1148 Glutamine?? 13.2977 1462.8 3.0 scans 92% TIC 0.23% 0.155% 685 0.8 229 116463 0.227% 1145275 1145275 1672487 0-0 0.983 13.35 -3.1 99 98 98 99 257 17.4 0.577 -0.049 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1146 Malic acid 13.5744 1480.2 3.5 scans 98% 73 m/z 0.014% 4.71% 712 0.3 1158 1927955 34771253 33977737 1-0 20: 73 147 233 245 189 133 335 190 148 191 175 75 234 149 217 101 265 307 74 55 0.999 13.62 -2.6 100 100 99 100 350 31.2 0.073 -0.043 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1142 Erythritol/Threitol 13.7133 1488.9 2.7 scans 71% 73 m/z 2.5% 0.0159% 725 1.4 84 10545 2.78% 117545 117545 20482444 0-0 16: 73 217 147 205 103 204 307 189 218 117 191 133 148 318 293 320 0.936 13.89 -11.2 89 87 87 95 320 8.3 0.969 -0.177 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1144 Contamination Parabanica acid 13.7554 1491.6 3.3 scans 70% TIC 4.0% 0.0102% 729 1.0 77 6610 3.50% 75422 75422 25787249 0-0 0.976 13.81 -3.2 93 92 89 93 243 30.8 15.922 -0.051 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN METHIO~1-N1066 Methionine 3TMS STD 14.0100 1508.0 2.8 scans 22% 176 m/z (232) 1.0% 0.0266% 753 1.1 98 26896 196348 183195 1-2 9: 176 128 177 178 293 250 160 294 295 0.911 14.06 -3.4 81 85 59 84 293 19.8 4.077 -0.050 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0237 1508.9 2.6 scans 43% 232 m/z (73) 0.28% 0.102% 754 1.1 196 95125 756817 747234 1-0 20: 232 233 218 100 234 202 188 216 130 292 101 204 203 334 220 235 132 349 189 174 0.849 14.02 0.4 91 92 85 98 258 5.1 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0290 1509.3 3.5 scans 69% 73 m/z (232) 0.19% 0.249% 755 1.2 266 135593 1835659 1726258 1-1 20: 73 75 74 133 117 306 148 149 59 131 142 70 172 115 134 99 244 71 98 76 0.981 14.11 -5.4 95 96 94 98 273 9.5 0.126 -0.081 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1140 Aspartic acid 14.0290 1509.3 3.5 scans 73% 73 m/z (156) 0.22% 0.265% 755 1.2 275 120161 1959070 1842314 1-1 20: 73 75 74 133 117 306 148 149 59 131 142 70 172 115 134 99 244 71 98 76 0.940 14.09 -3.8 95 97 96 98 349 13.8 0.252 -0.058 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1032 GABA 14.1973 1520.4 2.6 scans 97% 174 m/z 0.048% 0.772% 771 0.8 557 554269 5689279 5596484 1-1 20: 174 73 304 147 175 305 75 86 176 216 59 143 306 246 100 133 172 148 74 130 1.000 14.19 0.6 100 99 99 99 304 172.4 9.602 0.009 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3636 1531.5 2.7 scans 52% 292 m/z 5.2% 0.00998% 787 1.1 59 5177 0.0251% 73529 68793 184931 0-1 5: 292 220 245 293 205 0.942 14.69 -21.7 83 82 76 88 409 3.6 0.381 -0.328 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6108 1547.9 2.6 scans 94% 73 m/z 0.31% 0.139% 810 1.2 238 85319 1025832 1025265 1-0 20: 73 292 147 205 220 293 217 117 103 221 294 148 133 74 319 291 206 102 149 75 0.977 14.62 -0.7 100 99 98 99 409 17.8 0.558 -0.010 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7403 1556.4 2.9 scans 70% 174 m/z 0.38% 0.102% 822 1.0 184 69668 752317 728745 1-1 20: 174 73 175 86 176 250 91 100 59 130 65 162 251 117 121 87 131 144 116 160 0.966 14.16 38.1 89 90 88 99 250 33.4 3.302 0.575 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1126 Pyrazine 15.0728 1578.5 2.8 scans 76% TIC 2.5% 0.0196% 854 1.2 88 10545 144758 141354 1-0 0.926 15.13 -3.9 95 94 89 96 344 27.0 9.492 -0.059 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3810 1598.9 2.9 scans 73% 73 m/z 1.2% 0.0213% 883 1.1 101 22247 0.104% 157103 157103 766250 0-0 13: 73 218 147 219 103 129 215 133 74 75 230 148 89 0.937 15.44 -4.1 92 92 90 93 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1036 Glutamic acic 15.5042 1607.4 2.5 scans 25% 246 m/z 13% 0.00109% 895 1.0 21 1956 8085 8085 0-0 1: 246 0.736 15.50 0.0 88 93 54 91 363 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1118 Phenylalanine 15.6073 1614.6 3.1 scans 90% TIC 0.49% 0.127% 905 1.6 196 54254 0.141% 937953 907885 1038858 1-2 0.989 15.66 -3.6 94 93 92 95 294 14.0 0.515 -0.052 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1038 Xylose 15.8914 1634.3 >3 scans 77% TIC 2.3% 0.0201% 932 0.9 89 11481 0.120% 148804 138233 884134 1-0 0.973 15.89 0.1 86 82 85 97 307 22.9 6.643 0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1040 Xylose 16.0071 1642.4 2.7 scans 89% 73 m/z 0.56% 0.0868% 943 1.1 186 48151 0.128% 639772 579780 943077 2-2 20: 73 103 217 307 147 308 189 160 218 277 133 205 309 74 204 104 75 117 89 219 0.993 16.00 0.3 97 95 97 99 307 51.9 7.769 0.003 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1108 Ribose 16.3217 1664.2 2.7 scans 94% TIC 0.19% 0.284% 973 0.8 319 141018 2094285 1964474 2-1 0.994 16.38 -3.7 95 92 94 98 467 9.1 0.081 -0.053 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6163 1684.7 2.8 scans 86% 73 m/z 1.2% 0.0464% 1001 1.2 130 21577 0.0572% 342016 317753 421437 1-0 20: 73 319 307 147 217 103 308 320 205 306 309 129 218 321 277 229 133 117 189 74 0.995 16.68 -4.1 99 98 96 99 497 3.8 0.087 -0.060 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1104 Rhamnose 16.8752 1702.8 3.2 scans 64% TIC 3.0% 0.0110% 1025 1.1 69 8783 0.136% 81616 81616 1002019 0-0 0.913 16.93 -4.1 85 86 83 87 392 9.9 2.034 -0.057 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9288 1706.7 2.9 scans 43% 217 m/z 6.0% 0.00980% 1030 1.4 59 4467 0.0669% 72226 72226 492905 0-0 7: 217 103 205 307 319 218 204 0.701 16.99 -4.4 85 86 59 88 422 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9993 1711.8 3.3 scans 84% TIC 0.99% 0.0643% 1037 1.4 142 27295 0.248% 473931 473931 1827211 0-0 0.969 17.06 -4.7 97 96 93 96 510 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1044 Putrescine 17.1887 1725.7 2.8 scans 68% 174 m/z (73) 1.1% 0.0234% 1055 1.3 92 24518 0.0235% 173029 170500 173143 0-1 15: 174 175 214 176 86 172 200 130 146 100 361 215 173 142 241 0.977 17.19 0.1 93 93 93 98 376 7.4 0.651 0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1096 Putrescine 17.1887 1725.7 2.8 scans 59% 174 m/z 1.1% 0.0200% 1055 1.3 86 24515 0.0201% 147917 145755 148092 0-1 15: 174 175 214 176 86 172 200 130 146 100 361 215 173 142 241 0.984 17.25 -4.3 96 95 94 98 458 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3876 1740.2 >4 scans 54% TIC 5.2% 0.00973% 1074 0.9 59 5168 0.0670% 71758 71758 493642 0-0 0.945 17.44 -4.1 91 91 85 91 511 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5675 1753.3 2.8 scans 93% 217 m/z 0.13% 0.262% 1091 1.1 309 199591 0.311% 1931794 1769729 2291381 6-1 20: 217 73 218 147 219 75 230 215 74 129 189 103 244 133 231 148 220 130 149 191 0.997 17.63 -4.7 94 92 94 95 450 28.2 0.831 -0.064 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1088 Glutamine?? 17.6538 1759.6 >3 scans 67% TIC 1.5% 0.0409% 1099 1.4 121 17039 0.517% 301750 301750 3809145 0-0 0.964 17.73 -5.3 88 89 86 89 511 2.3 0.000 -0.072 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7001 1763.0 7.8 scans 54% TIC 1.7% 0.0250% 1104 0.6 120 15555 0.193% 184676 184676 1421983 0-0 0.980 17.70 0.1 94 94 91 95 375 16.3 1.822 0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1046 Shikimic acid 18.1357 1794.8 3.7 scans 75% TIC 0.59% 0.0868% 1145 1.3 168 45882 0.272% 639938 631545 2004038 0-2 0.898 18.13 0.8 96 96 93 99 372 17.8 1.121 0.011 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1082 Citric acid 18.2504 1803.3 2.9 scans 80% 273 m/z 0.65% 0.0956% 1156 1.2 187 41516 0.120% 704567 664563 884134 4-1 17: 273 147 347 363 274 375 465 275 211 376 364 149 348 148 305 349 183 0.985 18.32 -5.4 97 96 93 97 465 29.5 2.490 -0.071 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1048 Citric acid 18.2525 1803.5 3.8 scans 79% TIC 0.61% 0.109% 1156 1.6 186 44195 0.284% 806311 787355 2092451 1-1 0.971 18.24 0.7 97 95 93 100 465 27.9 2.259 0.008 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN ME-ADG~1-N1046 Methyl-a-glycopuranose 18.6934 1837.1 3.1 scans 65% 204 m/z 1.2% 0.0323% 1198 1.1 111 21897 0.241% 238350 235648 1775636 0-1 6: 204 205 217 133 206 129 0.931 19.12 -32.6 84 86 86 89 467 0.0 0.000 -0.428 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1076 Pregnane?? 18.7923 1844.6 4.2 scans 97% 345 m/z 0.041% 1.88% 1208 1.3 668 656164 13909592 13600501 1-1 20: 345 73 346 255 147 347 334 204 256 191 435 419 372 133 74 148 257 239 348 75 0.999 18.86 -5.1 100 100 99 100 537 51.1 0.587 -0.066 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1074 Adenine 18.8828 1851.5 3.1 scans 67% 264 m/z 0.46% 0.0552% 1216 1.3 138 58754 0.602% 407027 387027 4435407 1-0 18: 264 279 265 266 192 280 84 278 165 99 111 206 237 85 281 124 248 176 0.994 18.94 -4.4 96 95 91 97 415 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1072 Fructose 18.9943 1860.1 8.9 scans 96% 73 m/z 0.014% 9.32% 1227 0.7 1304 1859153 23.7% 68691187 67014653 174616518 1-0 20: 73 307 103 217 147 308 277 309 133 364 189 205 74 104 117 219 148 89 191 75 1.000 19.03 -2.9 100 99 99 100 364 151.9 1.363 -0.039 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1050 Fructose 19.0353 1863.2 >3 scans 93% 73 m/z 0.016% 5.00% 1231 1.0 1246 1637042 22.2% 36900693 36900693 163564839 0-0 20: 73 307 217 103 147 308 277 218 133 309 364 205 189 74 117 219 104 75 148 89 1.000 18.98 4.2 100 99 99 99 364 148.7 1.429 0.055 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1052 Fructose 19.1616 1872.8 7.5 scans 96% 73 m/z 0.016% 10.0% 1243 0.3 1264 1674845 37.3% 73684242 73684242 274818401 0-0 20: 73 307 217 103 147 308 218 277 364 309 205 74 133 262 219 117 189 89 104 148 0.998 19.10 4.4 100 99 99 100 364 152.1 1.451 0.058 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1056 Glucose 19.3741 1889.0 10.7 scans 76% 320 m/z 0.012% 15.3% 1263 0.6 1310 2223456 17.2% 112754370 102891439 126725912 6-0 11: 320 277 262 292 203 466 193 324 220 288 223 0.999 19.33 3.2 100 99 98 99 364 95.6 0.534 0.042 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1064 Mannose 19.3846 1889.8 >8 scans 86% TIC 0.011% 15.7% 1264 0.2 1403 2336431 19.7% 115965649 104633899 145145376 6-0 1.000 19.45 -5.4 100 99 98 99 319 582.3 17.292 -0.070 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1066 Glucose 19.4130 1892.0 10.7 scans 58% 319 m/z 0.011% 2.01% 1267 1.8 1042 2316313 11.0% 14824077 13973733 81045641 0-1 20: 319 320 307 291 364 277 305 274 262 365 300 308 374 343 293 366 275 331 304 390 0.999 19.40 1.1 94 92 83 96 319 579.8 31.257 0.014 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1062 Glucose 19.6035 1906.9 3.5 scans 80% 319 m/z (336) 0.014% 5.87% 1285 0.3 1243 1913784 43253700 40589471 2-1 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 129 157 74 148 204 189 89 0.978 19.66 -4.2 91 94 92 93 319 436.4 12.370 -0.052 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1059 Glucose 19.6035 1906.9 3.5 scans 95% 319 m/z 0.013% 6.78% 1285 0.3 1354 2027888 49969330 46891450 2-1 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 129 157 74 148 204 189 89 0.998 19.55 4.2 100 99 99 99 376 56.8 0.176 0.052 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1060 Lysine 19.6414 1909.9 3.7 scans 54% 174 m/z (319) 0.82% 0.0965% 1288 1.2 167 32815 0.202% 711133 681886 1488293 0-1 16: 174 317 156 318 128 434 175 86 200 228 176 329 435 154 155 419 0.920 19.69 -4.2 89 89 88 95 479 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN N406_R~2-N1016 Galacturonic acid 19.7908 1921.9 2.5 scans 13% 333 m/z 9.0% 0.00255% 1302 1.2 31 2976 0.0114% 18846 17383 83993 1-0 3: 333 393 334 0.923 19.79 -0.2 82 85 77 85 423 3.6 1.345 -0.002 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1064 Tyrosine 19.8287 1925.0 3.0 scans 76% 218 m/z 0.49% 0.0914% 1306 1.0 173 54495 674018 595008 1-8 13: 218 219 280 179 354 220 100 289 281 382 355 180 282 0.981 19.81 1.7 81 76 80 94 382 15.1 0.759 0.021 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1056 Ascorbic acid 19.9234 1932.6 3.2 scans 81% TIC 0.69% 0.0787% 1315 0.7 172 39204 0.224% 579925 579925 1650384 0-0 0.982 19.99 -5.1 91 89 88 93 449 16.1 0.876 -0.063 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2917 1962.2 2.5 scans 76% 204 m/z 1.2% 0.0321% 1350 1.3 114 21301 237096 225995 0-2 8: 204 191 205 192 206 189 129 291 0.947 20.41 -9.8 90 90 89 91 217 27.2 5.749 -0.122 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN INOSIT~1-N1022 myo-Inositol 21.7142 2080.0 8.1 scans 8.3% 433 m/z (305) 0.12% 1.44% 1485 0.6 440 220638 10647008 10620882 1-0 14: 433 368 507 394 419 395 417 420 436 396 159 269 409 210 0.434 21.74 -2.3 86 97 68 95 507 115.1 6.841 -0.027 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.7142 2080.0 8.1 scans 100% 433 m/z 0.012% 17.2% 1485 0.6 1525 2092170 127452442 127139692 1-0 14: 433 368 507 394 419 395 417 420 436 396 159 269 409 210 0.999 21.75 -2.9 100 99 99 99 507 115.1 0.572 -0.035 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1044 myo-Inositol 21.7247 2080.9 7.9 scans 31% 319 m/z (305) 0.021% 5.44% 1486 0.2 865 1246172 40139939 40001248 1-0 20: 319 307 320 367 393 308 309 407 295 380 209 421 54 418 57 228 327 405 597 524 0.949 21.77 -3.5 96 97 96 99 612 41.3 0.229 -0.042 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1042 myo-Inositol 21.7247 2080.9 7.9 scans 94% 319 m/z (433) 0.012% 16.5% 1486 0.2 1509 2107097 122253337 121830929 1-0 20: 319 307 320 367 393 308 309 407 295 380 209 421 54 418 57 228 327 405 597 524 0.991 21.77 -4.2 95 95 97 99 318 414.9 7.583 -0.049 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1040 myo-Inositol 21.7384 2082.1 7.7 scans 59% 305 m/z (319) 0.013% 10.4% 1488 0.2 1233 1979226 76643651 76058642 1-0 20: 305 217 73 147 318 191 306 265 204 218 133 129 291 148 219 192 221 74 103 149 0.854 21.78 -3.5 92 94 96 95 378 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8699 2093.1 3.1 scans 96% 319 m/z 0.14% 0.514% 1500 1.1 405 189001 10.2% 3789308 3634741 75151413 3-2 20: 319 73 205 147 320 217 103 321 262 206 117 204 74 229 133 89 148 157 291 129 0.999 21.93 -5.0 96 93 97 99 656 9.2 0.052 -0.060 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN GUANINE-N1026 Guanine 3TMS STD 22.0183 2105.8 2.7 scans 23% 352 m/z 11% 0.00191% 1514 1.3 27 2321 14107 14107 1-0 3: 352 367 353 1.000 22.05 -2.6 88 89 58 92 367 10.7 16.132 -0.031 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1032 trans-Caffeic acid 22.1961 2121.3 2.5 scans 94% 396 m/z 0.26% 0.242% 1531 1.1 326 103067 0.360% 1784724 1784724 2652403 0-0 20: 396 73 219 319 397 381 205 147 320 398 191 103 220 307 217 249 74 75 382 321 1.000 22.25 -4.7 94 92 89 97 396 114.2 12.280 -0.054 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6622 2162.0 3.2 scans 86% 204 m/z 1.2% 0.0339% 1575 1.5 105 21608 0.0557% 250159 241616 410386 1-0 17: 204 73 205 249 217 147 361 206 117 191 218 129 74 103 362 189 148 0.990 22.71 -4.5 97 97 96 98 518 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN BRA4_R~4-N1012 Spermidine 22.9011 2182.9 3.5 scans 42% 174 m/z 28% 0.00253% 1598 2.1 26 966 0.00334% 18655 18655 24608 0-0 3: 174 200 201 0.904 22.90 0.1 80 92 79 90 418 3.6 0.000 0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN WTF2-N1036 C18:0 23.3946 2227.2 2.8 scans 86% 341 m/z 3.5% 0.0197% 1645 1.6 83 7641 0.0219% 145665 133704 161355 1-4 13: 341 117 342 132 75 145 129 55 57 356 69 343 118 0.998 22.89 45.4 88 94 89 94 356 10.7 1.671 0.506 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN BRA4_R~2-N1006 Spermidine 23.5082 2237.6 2.7 scans 82% 144 m/z 3.4% 0.0225% 1656 1.0 94 7909 0.0232% 166064 158414 170933 2-3 20: 144 73 174 116 156 160 86 172 170 142 145 157 100 130 201 214 146 59 154 186 0.986 23.51 -0.1 85 78 86 99 490 8.0 0.737 -0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1227 2293.8 2.8 scans 96% 204 m/z 0.045% 0.922% 1714 0.9 587 601572 6795470 6350474 1-1 20: 204 73 217 147 205 337 103 129 206 218 219 338 361 191 133 74 131 75 148 101 1.000 24.18 -5.3 98 97 99 99 581 12.0 0.042 -0.059 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6478 2343.4 3.3 scans 95% 73 m/z 0.48% 0.189% 1764 0.5 225 56200 1393987 1383497 3-0 20: 73 331 147 191 217 307 262 103 421 319 205 422 332 204 305 192 259 333 320 117 0.995 24.65 -0.2 99 98 98 99 466 12.8 0.324 -0.002 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7456 2352.7 2.7 scans 85% 73 m/z 3.2% 0.0182% 1773 1.1 83 8436 134283 127668 0-1 16: 73 217 204 292 147 375 305 103 219 218 451 205 376 129 74 191 0.990 24.81 -5.7 89 89 87 89 451 10.4 1.541 -0.059 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5301 2528.6 3.5 scans 79% TIC 1.9% 0.0437% 1943 1.7 112 13644 322150 289336 1-8 0.908 26.57 -4.5 97 96 87 96 512 38.6 11.795 -0.043 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9026 2567.1 3.4 scans 70% 371 m/z 5.6% 0.00940% 1978 1.4 51 4781 69265 63663 1-4 6: 371 372 239 57 373 459 0.975 26.39 52.5 83 92 76 92 459 8.1 2.549 0.509 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1014 Sucrose 27.3666 2615.5 2.9 scans 97% TIC 0.10% 0.549% 2022 0.9 428 263569 4051525 3903265 2-1 0.999 27.49 -13.2 100 99 98 100 437 82.2 3.704 -0.123 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN LQC1-N1006 Trehalose 28.3136 2717.5 3.1 scans 92% 361 m/z 1.3% 0.0590% 2112 1.3 133 19912 0.0681% 435074 385365 501746 0-2 20: 361 73 362 204 217 147 363 205 103 271 189 117 243 129 231 218 206 320 74 191 0.999 28.47 -17.4 83 77 74 93 565 0.0 0.000 -0.154 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN GUA35_L1-N1020 Galactinol 30.6221 2981.5 3.1 scans 81% 204 m/z 3.7% 0.00926% 2332 1.0 59 7196 0.0211% 68295 67356 155460 1-0 7: 204 73 191 217 205 361 129 0.975 30.55 9.1 80 80 83 80 641 0.0 0.000 0.077 G:\GCMS data\Nicotiana Panel polar\B WA_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6785 3107.0 7.0 scans 93% 204 m/z 1.4% 0.0851% 2432 4.1 104 18211 627547 590748 1-9 18: 204 217 205 73 129 361 597 103 206 337 191 599 218 243 219 131 271 305 0.995 31.68 0.4 95 94 91 94 597 18.9 3.332 0.004 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN EXBLK5S-N1006 Contamination 6.3657 1047.9 4.1 scans 71% TIC 0.96% 0.0454% 27 1.4 113 28190 0.0644% 285951 240200 404742 6-0 0.964 6.63 -15.4 98 98 94 98 295 35.2 9.656 -0.259 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8391 1076.0 >9 scans 36% 117 m/z 7.7% 0.0136% 72 0.3 43 3546 0.0406% 85725 73048 255164 0-5 4: 117 147 191 73 0.892 6.82 1.1 93 96 91 98 295 2.9 0.000 0.018 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1194 Alanine 7.4368 1111.4 10.6 scans 69% TIC 1.4% 0.0582% 128 0.4 86 18376 0.135% 366115 366115 848451 0-0 0.983 7.40 1.9 95 94 93 96 283 0.0 0.000 0.033 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9313 1140.7 2.7 scans 70% 156 m/z 2.7% 0.0151% 175 1.1 72 9892 0.0182% 95053 90285 114384 1-3 6: 156 75 55 157 61 54 0.970 7.96 -1.5 98 98 94 98 156 39.1 29.510 -0.026 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1192 Contamination 8.0134 1145.6 2.7 scans 72% 73 m/z 3.5% 0.0154% 183 1.2 77 7604 0.0311% 97272 97216 195458 1-0 15: 73 147 133 220 235 72 59 146 86 89 103 148 100 160 74 0.960 7.99 1.4 92 92 91 94 235 14.7 3.663 0.024 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN WTF2-N1026 Cadaverine NC 8.1975 1156.5 3.1 scans 48% 174 m/z 8.1% 0.00537% 201 1.2 40 3333 0.0103% 33799 29609 64734 0-2 6: 174 168 175 142 86 216 0.882 7.74 27.3 85 86 74 96 216 9.2 5.391 0.462 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1188 Contamination 8.3817 1167.4 4.8 scans 73% 281 m/z 4.4% 0.0175% 218 1.8 63 6184 0.0380% 110238 109448 238823 1-0 9: 281 369 147 282 73 283 370 265 249 0.993 8.41 -2.0 97 97 80 98 369 18.3 8.486 -0.033 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1190 Contamination 8.4679 1172.6 2.8 scans 66% 73 m/z 2.9% 0.0139% 226 1.2 69 9127 0.0293% 87508 84209 184145 2-2 13: 73 140 198 77 211 70 126 69 186 74 215 170 113 0.963 8.48 -0.9 93 93 89 94 309 5.7 0.689 -0.016 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1184 Valine 9.1813 1214.6 3.7 scans 71% 144 m/z (156) 2.3% 0.0182% 294 0.6 65 11510 0.0189% 114586 107833 118783 0-3 6: 144 218 145 219 146 59 0.964 9.19 -0.4 95 97 91 97 218 19.5 9.028 -0.007 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1180 Benzoic acid 9.7485 1247.8 3.0 scans 68% 179 m/z 3.6% 0.0140% 348 0.9 64 7495 88416 82412 2-3 8: 179 105 135 77 180 136 181 106 0.870 9.76 -0.7 95 95 91 97 194 8.7 1.860 -0.011 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1178 Ethanolamine 10.0010 1262.6 4.3 scans 66% 174 m/z 2.5% 0.0142% 372 1.3 64 10568 0.200% 89476 89476 1256964 0-0 8: 174 73 175 100 176 147 86 130 0.954 10.03 -1.9 97 97 92 97 262 6.9 1.158 -0.033 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN VEN77_S6-N1002 Glycerol 10.0946 1268.1 3.3 scans 93% 147 m/z 0.026% 1.60% 381 0.9 662 1017722 1.64% 10100134 9393441 10307104 4-2 17: 147 103 179 148 177 149 89 104 178 150 223 101 118 176 113 152 88 0.983 10.09 0.1 99 98 92 100 299 396.4 36.014 0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LACTIC~1-N1034 Glycerol 10.0946 1268.1 3.3 scans 5.6% 147 m/z (299) 0.51% 0.100% 381 0.9 163 52618 0.102% 632207 587972 641052 4-2 17: 147 103 179 148 177 149 89 104 178 150 223 101 118 176 113 152 88 0.489 10.11 -0.9 87 96 59 93 293 11.2 0.471 -0.015 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2451 1276.9 2.5 scans 85% 73 m/z 1.1% 0.0294% 395 1.3 104 23850 185070 181281 0-3 16: 73 198 77 211 70 199 74 239 381 289 212 72 143 170 200 92 0.991 10.24 0.3 97 96 95 97 381 10.6 1.053 0.005 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1176 Isoleucine 10.4345 1288.0 3.8 scans 73% TIC 2.4% 0.0136% 413 1.5 68 10925 0.0144% 85718 83948 90501 2-0 0.974 10.46 -1.4 95 94 91 97 260 0.0 0.000 -0.024 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1012 Proline 10.5197 1293.0 3.1 scans 79% 142 m/z (180) 0.44% 0.0688% 421 0.9 135 61116 0.0975% 432640 382168 612770 5-1 9: 142 143 144 72 66 68 244 100 140 0.997 10.53 -0.8 95 96 96 97 216 26.7 3.930 -0.013 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1014 Maleic acid 10.6060 1298.0 2.7 scans 97% 147 m/z 0.061% 0.577% 430 0.8 438 444865 1.66% 3632614 3605827 10432800 3-0 20: 147 73 245 148 75 149 83 133 74 143 115 246 59 84 58 170 126 66 215 72 0.998 10.60 0.2 99 98 98 99 245 102.3 5.470 0.004 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1170 Glycine 10.6618 1301.3 >2 scans 47% TIC 2.4% 0.00457% 435 1.0 70 11211 1.04% 28743 28743 6536212 0-0 0.969 10.69 -1.5 91 91 84 92 276 9.8 1.965 -0.025 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7470 1306.4 3.0 scans 93% TIC 0.030% 1.29% 443 1.0 613 891717 8141745 7834937 2-1 0.963 10.76 -0.7 99 97 97 100 251 141.2 5.327 -0.011 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1168 Glyceric acid 11.0206 1322.9 2.4 scans 96% 73 m/z 0.16% 0.309% 469 1.0 351 163733 1946549 1884491 1-1 20: 73 147 189 292 133 103 205 293 102 117 190 148 307 74 75 294 149 59 101 191 0.998 11.05 -2.0 100 99 99 100 292 104.2 8.823 -0.033 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0826 1326.6 2.6 scans 53% 184 m/z 8.9% 0.00618% 475 1.0 48 3040 0.0101% 38844 37021 63477 0-1 7: 184 134 285 174 86 77 110 0.899 11.06 1.1 87 87 70 94 285 16.1 11.487 0.020 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1018 Uracil 11.1384 1330.0 2.5 scans 64% 241 m/z 7.7% 0.00655% 480 1.4 48 3520 41176 40664 0-2 6: 241 255 256 99 242 113 0.947 11.15 -0.6 96 95 92 99 256 16.7 12.145 -0.010 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1164 Itaconic acid 11.2194 1334.9 2.7 scans 75% 147 m/z 2.7% 0.0145% 488 0.8 70 10069 0.0159% 91719 81320 99929 1-2 9: 147 73 259 148 215 184 149 97 141 0.970 11.25 -2.0 87 85 85 90 259 14.2 4.107 -0.033 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1162 Fumaric acid 11.3710 1344.0 2.6 scans 97% 245 m/z 0.050% 0.732% 502 0.8 507 539353 4602036 4426340 2-1 20: 245 147 73 246 75 143 247 83 148 133 149 115 155 74 84 61 53 157 58 59 0.999 11.39 -1.3 100 99 98 99 245 288.6 32.427 -0.022 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4614 1349.5 3.3 scans 41% 57 m/z (84 204) 1.3% 0.0380% 511 1.2 99 19680 0.0620% 238964 219161 389659 2-2 12: 57 97 145 127 55 129 56 69 111 109 128 71 0.978 11.45 1.0 90 93 95 98 145 27.0 7.419 0.015 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4730 1350.2 2.9 scans 51% 84 m/z 0.86% 0.0430% 512 1.4 115 31599 0.0667% 270853 254942 419197 4-1 16: 84 161 162 119 92 82 51 65 85 63 91 78 54 120 64 62 0.806 10.96 31.2 82 84 89 94 161 29.5 6.569 0.517 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1160 Serine 11.5077 1352.2 2.9 scans 91% TIC 0.29% 0.203% 515 1.1 255 93327 0.957% 1279650 1254404 6014572 0-1 0.998 11.56 -3.0 100 99 97 99 306 25.7 1.009 -0.049 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1020 Serine 11.5077 1352.2 2.6 scans 86% 204 m/z 0.29% 0.177% 515 1.0 249 92773 1116214 1091161 3-0 18: 204 73 218 205 147 100 219 206 278 75 220 74 306 116 148 279 132 103 0.991 11.51 -0.4 100 99 98 99 306 25.5 1.048 -0.005 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1022 Thymine 11.5951 1357.5 2.8 scans 80% 255 m/z 1.9% 0.0154% 523 1.1 72 13917 0.0562% 97132 96158 353207 1-1 9: 255 270 256 73 257 271 120 269 272 0.966 11.60 -0.3 99 98 93 100 270 24.1 11.371 -0.004 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1024 Threonine 11.9170 1376.9 2.6 scans 92% 73 m/z 0.66% 0.0961% 554 1.1 180 41029 603969 529815 1-12 20: 73 218 219 117 291 292 147 101 220 57 100 293 75 221 320 203 74 128 132 133 0.992 11.92 -0.2 100 99 99 100 320 17.5 0.947 -0.004 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2796 1461.6 2.7 scans 9.2% 247 m/z (155) 4.4% 0.00889% 684 1.1 55 6203 55929 54112 1-1 10: 247 248 115 259 349 321 203 233 69 249 0.567 13.31 -1.7 83 92 36 87 349 10.4 3.520 -0.026 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1148 Glutamine?? 13.2933 1462.5 2.8 scans 90% 155 m/z 0.35% 0.112% 685 0.9 196 77379 0.129% 707450 661007 810742 1-1 19: 155 73 147 156 229 139 59 100 74 157 148 84 257 131 72 103 56 132 140 0.962 13.35 -3.4 98 97 97 99 257 14.0 0.513 -0.054 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1146 Malic acid 13.5648 1479.6 3.1 scans 98% 73 m/z 0.017% 4.01% 711 0.4 1078 1570315 25214491 24132584 1-1 20: 73 147 233 245 133 189 190 335 148 175 75 191 101 234 149 74 217 55 265 307 1.000 13.62 -3.2 100 100 99 100 350 28.4 0.069 -0.052 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1142 Erythritol/Threitol 13.7089 1488.7 2.7 scans 78% TIC 1.7% 0.0270% 724 1.4 107 15677 3.39% 170212 170212 21305538 0-0 0.949 13.89 -11.4 92 89 93 97 320 8.4 0.619 -0.181 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7489 1491.2 2.7 scans 49% 243 m/z (73) 13% 0.00454% 728 1.0 39 1995 0.00627% 28581 28581 39406 0-0 4: 243 115 100 128 0.869 13.81 -3.6 85 90 72 91 243 17.1 19.350 -0.057 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0204 1508.7 2.5 scans 34% 232 m/z (73) 0.43% 0.0653% 754 1.1 155 63209 410689 394121 1-2 19: 232 233 218 100 234 202 188 216 117 219 306 334 292 101 204 221 174 189 220 0.940 14.02 0.2 93 94 91 99 258 5.8 0.000 0.003 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1140 Aspartic acid 14.0288 1509.3 3.5 scans 64% 73 m/z (156) 0.27% 0.207% 755 1.1 234 98339 1304014 1266951 1-1 16: 73 147 75 74 59 133 148 149 131 70 61 60 98 134 87 150 0.978 14.09 -3.8 95 96 96 98 349 10.7 0.210 -0.058 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0288 1509.3 3.5 scans 79% 73 m/z 0.21% 0.247% 755 1.1 259 125816 1552479 1508353 1-1 16: 73 147 75 74 59 133 148 149 131 70 61 60 98 134 87 150 0.829 14.03 -0.0 97 94 97 99 258 46.9 3.273 -0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0288 1509.3 3.5 scans 79% 73 m/z (232) 0.20% 0.255% 755 1.1 260 136358 1608767 1563042 1-1 16: 73 147 75 74 59 133 148 149 131 70 61 60 98 134 87 150 0.983 14.11 -5.4 96 96 96 99 273 9.6 0.138 -0.081 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1032 GABA 14.1877 1519.8 2.6 scans 81% 174 m/z 0.41% 0.100% 770 1.2 188 65877 0.109% 633334 563472 685045 4-0 16: 174 304 147 175 305 86 176 246 100 216 130 306 172 133 148 131 0.991 14.19 0.0 99 98 95 98 304 61.6 10.737 -0.000 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3308 1529.3 2.9 scans 36% 239 m/z (292) 8.9% 0.00559% 784 1.0 42 3041 35169 35169 0-0 5: 239 342 174 263 343 0.873 14.37 -2.9 81 84 63 89 342 16.3 14.680 -0.043 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3592 1531.2 6.1 scans 82% TIC 2.4% 0.0285% 786 1.4 88 11269 0.437% 179506 161268 2746466 0-4 0.970 14.62 -17.4 92 92 87 93 409 6.3 0.515 -0.262 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6096 1547.8 2.5 scans 95% 73 m/z 0.30% 0.164% 810 1.2 251 88310 1032804 995548 1-1 20: 73 292 147 205 220 293 217 117 103 294 221 148 74 133 319 102 291 149 75 206 0.999 14.69 -5.4 100 99 98 99 409 18.7 0.553 -0.082 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7411 1556.5 2.9 scans 88% 174 m/z 0.28% 0.148% 823 1.0 214 94763 931233 917628 1-0 20: 174 86 175 176 250 91 100 59 130 65 117 251 158 162 144 87 131 116 101 160 0.958 14.16 38.2 91 93 90 99 250 40.8 3.629 0.576 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3809 1598.9 2.7 scans 74% 217 m/z 1.2% 0.0230% 883 1.3 99 22168 0.0369% 144681 144681 231910 0-0 9: 217 73 218 147 219 103 284 189 74 0.968 15.44 -4.1 95 94 93 95 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1036 Glutamic acic 15.5029 1607.4 2.5 scans 61% 246 m/z 6.4% 0.00537% 895 1.0 45 4265 33804 33804 0-0 3: 246 247 128 0.944 15.50 -0.0 91 91 90 98 363 4.3 0.914 -0.000 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1118 Phenylalanine 15.6018 1614.2 >3 scans 88% TIC 1.8% 0.0379% 904 1.5 107 15048 0.0871% 238556 216436 547408 3-0 0.991 15.66 -4.0 92 90 90 95 294 7.7 0.514 -0.057 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1038 Xylose 15.8912 1634.3 >3 scans 80% TIC 1.9% 0.0244% 932 0.9 95 13746 0.0540% 153632 153632 339380 0-0 0.980 15.89 0.1 80 73 83 97 307 24.4 6.617 0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1040 Xylose 16.0069 1642.4 2.6 scans 92% 73 m/z 0.52% 0.104% 943 1.1 198 51720 658793 632249 1-1 20: 73 103 307 217 147 189 308 160 218 277 117 133 74 309 104 204 205 234 75 105 0.996 16.00 0.3 97 95 97 99 307 55.6 7.890 0.003 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1042 Ribose 16.1037 1649.1 2.9 scans 87% TIC 1.1% 0.0494% 952 1.1 126 22835 0.316% 310835 288967 1986003 2-0 0.991 16.10 0.1 97 95 95 99 307 36.1 8.165 0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.2268 1657.6 2.8 scans 19% 290 m/z 3.6% 0.00652% 964 1.6 43 7535 41013 38532 1-3 4: 290 291 292 392 0.728 16.28 -3.5 90 92 57 94 392 9.0 4.437 -0.049 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6151 1684.6 2.7 scans 89% 73 m/z 1.0% 0.0639% 1001 1.2 148 25986 0.0825% 401707 369106 518498 1-0 20: 73 319 307 103 147 217 308 320 205 306 129 218 277 321 148 133 74 117 229 189 0.999 16.68 -4.2 100 99 98 99 497 3.9 0.068 -0.061 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1104 Rhamnose 16.8750 1702.8 2.7 scans 60% 117 m/z 3.6% 0.0131% 1025 1.1 67 7583 0.0446% 82340 80656 280303 2-0 5: 117 160 277 118 161 0.969 16.93 -4.1 81 81 83 83 392 6.0 0.808 -0.057 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9276 1706.6 3.8 scans 70% TIC 3.2% 0.0186% 1030 1.9 87 8524 0.246% 117124 117124 1546066 0-0 0.976 16.99 -4.5 93 93 90 93 422 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9970 1711.7 2.9 scans 88% 73 m/z 0.77% 0.0949% 1037 1.0 175 35337 0.243% 596797 559885 1527211 0-8 20: 73 217 147 319 305 103 205 307 218 189 204 129 306 320 277 206 308 74 133 332 0.991 17.06 -4.8 98 97 96 97 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1044 Putrescine 17.1896 1725.7 2.7 scans 75% 174 m/z (73) 0.94% 0.0316% 1055 1.1 103 28958 198948 198948 0-0 12: 174 175 214 176 86 172 200 100 142 130 99 187 0.988 17.19 0.1 96 97 95 99 376 7.1 0.470 0.002 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1096 Putrescine 17.1896 1725.7 2.7 scans 64% 174 m/z 0.93% 0.0267% 1055 1.1 95 29172 168359 168359 0-0 12: 174 175 214 176 86 172 200 100 142 130 99 187 0.991 17.25 -4.3 99 98 97 99 458 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3790 1739.6 2.8 scans 58% 333 m/z (345) 5.5% 0.0122% 1073 1.0 62 4934 77005 71379 3-0 6: 333 292 307 103 334 293 0.961 17.44 -4.7 89 92 86 92 511 5.6 0.839 -0.064 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5663 1753.2 2.6 scans 92% 217 m/z 0.17% 0.235% 1091 1.0 287 158054 0.285% 1480508 1318015 1791174 5-2 20: 217 73 218 147 219 450 74 75 191 232 133 451 129 148 149 189 230 257 103 169 0.997 17.63 -4.8 97 96 96 98 450 38.5 1.798 -0.066 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6999 1763.0 3.1 scans 73% TIC 1.1% 0.0482% 1104 0.8 154 24247 0.188% 303302 303302 1181546 0-0 0.996 17.70 0.1 98 97 95 98 375 20.2 1.707 0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1046 Shikimic acid 18.1313 1794.5 2.8 scans 75% 204 m/z 0.44% 0.121% 1145 1.0 191 61959 0.130% 762732 688351 817027 6-6 13: 204 205 206 357 255 254 372 462 282 359 331 373 256 0.939 18.13 0.5 96 95 93 99 372 21.8 1.309 0.006 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1048 Citric acid 18.2481 1803.1 2.7 scans 62% 273 m/z 1.8% 0.0399% 1156 1.1 118 14759 0.0410% 251133 240784 257678 1-1 14: 273 363 347 375 274 465 275 211 348 364 376 466 349 377 0.963 18.24 0.3 98 98 92 99 465 18.5 2.467 0.004 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1076 Pregnane?? 18.7900 1844.5 3.4 scans 98% 345 m/z 0.032% 2.35% 1207 1.1 777 850041 14824129 14473731 1-1 20: 345 73 346 255 147 347 334 204 256 191 435 419 133 372 257 74 148 239 348 75 1.000 18.86 -5.2 100 100 99 100 537 60.2 0.604 -0.068 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1074 Adenine 18.8815 1851.5 3.1 scans 28% 264 m/z 6.5% 0.00342% 1216 1.3 33 4187 0.160% 21520 21520 1005571 0-0 3: 264 279 265 0.987 18.94 -4.4 91 92 78 92 415 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1072 Fructose 18.9994 1860.4 8.0 scans 97% 307 m/z 0.014% 11.4% 1227 0.6 1373 1938172 26.3% 71684912 69773945 165290749 1-0 20: 307 73 217 103 147 308 309 277 218 364 133 219 189 205 74 104 117 204 335 129 1.000 19.03 -2.6 100 98 99 99 364 161.5 1.389 -0.034 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1050 Fructose 19.0341 1863.1 >2 scans 56% 270 m/z 0.035% 1.41% 1231 2.1 918 774225 18.5% 8904837 8904837 116269158 0-0 16: 270 390 344 432 274 243 170 287 379 420 389 362 522 342 96 153 0.999 18.98 4.1 99 98 98 99 364 126.2 1.896 0.054 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1052 Fructose 19.1435 1871.4 6.7 scans 99% 554 m/z 0.015% 11.8% 1241 0.5 1326 1717270 20.6% 74586968 74586968 129467279 0-0 20: 554 466 302 465 432 448 161 345 168 223 525 243 420 317 304 571 199 242 271 314 0.997 19.10 3.0 100 99 99 100 364 158.9 1.440 0.040 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1066 Glucose 19.3677 1888.5 7.5 scans 46% 320 m/z (73) 0.011% 8.21% 1262 0.2 1034 2332608 51625979 51571106 1-0 20: 320 321 218 219 230 233 158 234 300 374 82 264 198 98 324 266 182 480 523 346 0.874 19.40 -2.4 91 94 65 96 319 600.1 33.972 -0.031 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1064 Mannose 19.3761 1889.2 7.6 scans 100% 73 m/z 0.011% 17.3% 1263 0.2 1547 2392093 17.4% 109210268 109111338 109355857 1-0 20: 73 103 74 161 75 89 149 105 59 162 130 114 101 104 100 278 118 102 128 135 0.999 19.45 -6.0 100 99 99 100 319 607.7 15.485 -0.079 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1056 Glucose 19.3813 1889.6 7.4 scans 64% 319 m/z (73) 0.011% 11.3% 1264 0.2 1236 2392093 71575013 71516427 1-0 20: 319 205 147 320 160 217 206 229 117 133 157 129 189 204 207 148 218 291 307 231 0.960 19.33 3.8 94 96 70 96 364 97.4 0.623 0.049 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN BRA4_R~2-N1004 Galactose 19.3813 1889.6 7.4 scans 48% 319 m/z (73 321) 0.018% 8.53% 1264 0.2 1070 1456720 53651301 53607386 1-0 20: 319 205 147 320 160 217 206 229 117 133 157 129 189 204 207 148 218 291 307 231 0.925 19.36 1.5 80 86 61 84 364 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1059 Glucose 19.5833 1905.3 2.9 scans 95% 319 m/z 0.018% 4.88% 1283 0.5 1204 1476388 30731115 28165916 1-1 20: 319 73 205 147 320 160 217 103 321 206 133 229 117 129 157 74 189 204 148 207 0.998 19.55 2.6 100 99 99 99 376 51.8 0.186 0.031 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7307 1917.1 3.1 scans 70% TIC 1.7% 0.0258% 1297 1.0 108 15663 0.169% 162352 159376 1062134 1-0 0.976 19.79 -4.8 92 91 90 93 434 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1056 Ascorbic acid 19.9137 1931.8 3.3 scans 77% 73 m/z 1.2% 0.0545% 1314 0.8 128 22130 0.0985% 342610 342610 619055 0-0 13: 73 332 333 334 374 133 359 345 449 331 303 375 131 0.930 19.99 -5.9 89 87 87 91 449 12.0 0.880 -0.072 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2915 1962.2 2.7 scans 78% 204 m/z 1.1% 0.0485% 1350 1.2 132 23528 305006 295758 1-1 8: 204 191 205 206 129 131 193 291 0.896 20.41 -9.8 90 91 89 92 217 35.5 7.244 -0.123 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1052 Gluconic acid 2 20.5103 1979.8 >3 scans 49% TIC 8.1% 0.00464% 1371 1.7 60 3354 0.0555% 29197 29197 348807 0-0 0.931 20.60 -6.9 82 84 72 82 613 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN WTF2-N1038 C16:0 21.1448 2032.2 2.9 scans 85% 313 m/z 3.4% 0.0261% 1431 1.6 88 7806 164266 159374 0-7 13: 313 117 129 132 314 145 55 57 328 315 118 74 69 0.975 20.62 43.9 83 86 87 95 328 9.8 1.233 0.528 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6972 2078.6 4.3 scans 97% 305 m/z 0.013% 10.4% 1484 0.3 1530 1979419 65881755 63515122 1-1 20: 305 217 73 147 318 191 306 265 319 204 218 307 133 129 432 320 433 219 192 148 0.996 21.75 -4.3 100 100 99 100 507 116.5 0.582 -0.052 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8645 2092.6 3.1 scans 94% 319 m/z 0.11% 0.817% 1500 0.9 476 238975 5137176 4593387 1-3 20: 319 73 205 147 320 217 103 262 321 206 117 133 74 204 229 89 157 148 129 263 1.000 21.93 -5.5 95 92 96 99 656 10.5 0.049 -0.065 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1032 trans-Caffeic acid 22.1938 2121.1 2.5 scans 94% TIC 0.20% 0.354% 1531 1.1 371 134863 0.554% 2230596 2156385 3481790 1-0 0.999 22.25 -4.9 95 92 90 100 396 106.1 8.159 -0.056 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6684 2162.6 3.0 scans 91% 204 m/z 0.56% 0.0872% 1576 1.1 165 48418 0.149% 548615 497886 936438 2-0 20: 204 73 205 147 217 145 206 361 117 191 74 131 75 263 362 218 129 219 103 271 0.997 22.71 -3.9 94 91 94 98 518 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN BRA4_R~4-N1012 Spermidine 22.8925 2182.1 3.1 scans 58% 174 m/z 25% 0.00321% 1597 2.3 30 1079 20207 20207 0-0 3: 174 200 201 0.926 22.90 -0.7 89 96 87 95 418 4.0 1.748 -0.007 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN WTF2-N1036 C18:0 23.4060 2228.2 3.7 scans 76% 341 m/z 8.1% 0.0126% 1646 1.8 53 3350 0.0142% 79676 72935 89244 6-2 8: 341 117 132 342 145 129 75 55 0.968 22.89 46.4 85 92 81 92 356 7.9 2.191 0.517 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1278 2294.2 2.7 scans 68% 204 m/z 8.6% 0.00520% 1715 1.3 40 3155 0.0118% 32732 24535 74161 0-2 3: 204 337 147 0.973 24.01 10.7 85 85 81 88 490 0.0 0.000 0.118 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6528 2343.9 3.5 scans 97% 73 m/z 0.43% 0.271% 1765 0.6 248 62937 1706942 1696844 0-1 20: 73 331 147 191 217 421 262 307 205 319 103 305 259 204 74 192 117 218 308 333 0.996 24.65 0.3 100 99 99 100 466 14.0 0.319 0.003 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5321 2528.8 2.8 scans 74% 512 m/z 2.7% 0.0313% 1943 1.1 103 9786 196877 195672 0-1 17: 512 455 513 456 247 483 514 57 457 263 349 189 248 497 484 207 423 0.955 26.57 -4.3 96 96 86 96 512 38.9 14.212 -0.041 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN WTF2-N1032 Sucrose 26.6510 2541.1 2.8 scans 78% 361 m/z 11% 0.00735% 1954 1.0 49 2426 0.0321% 46243 44552 201743 2-0 8: 361 437 73 273 217 438 362 129 0.976 26.87 -22.6 82 84 79 85 451 5.4 1.216 -0.219 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1010 Sucrose 27.4043 2619.6 7.0 scans 100% 437 m/z 0.0085% 15.3% 2026 1.0 1483 3204585 96204504 95522970 1-0 17: 437 451 438 439 452 150 464 173 373 164 263 308 315 422 481 406 469 0.997 27.58 -18.6 100 99 98 99 437 291.6 3.893 -0.175 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1020 Sucrose 27.4043 2619.6 7.0 scans 10% 437 m/z (361) 0.050% 1.55% 2026 1.0 467 538959 9790791 9721431 1-0 17: 437 451 438 439 452 150 464 173 373 164 263 308 315 422 481 406 469 0.778 27.46 -6.0 94 97 94 99 437 288.4 38.268 -0.057 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1018 Sucrose 27.4138 2620.6 6.9 scans 49% 361 m/z (73) 0.0085% 7.71% 2027 0.2 1042 3204585 48502477 48178092 1-0 20: 361 362 319 364 320 245 291 321 332 247 333 171 317 109 322 307 142 346 275 294 0.905 27.47 -5.9 89 93 55 91 437 293.7 8.023 -0.056 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1014 Sucrose 27.4191 2621.1 >5 scans 93% 271 m/z 0.0085% 11.6% 2027 0.3 1441 3204585 14.4% 73467850 70947408 90501399 1-0 20: 271 218 331 219 189 230 204 273 229 365 244 306 221 220 293 259 345 158 348 187 1.000 27.49 -7.6 100 100 99 100 437 292.1 4.142 -0.071 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1016 Sucrose 27.4306 2622.4 6.5 scans 49% 73 m/z (361) 0.017% 7.38% 2029 0.2 1053 1581833 46383659 44596322 1-1 20: 73 217 147 103 271 169 129 243 218 319 191 74 133 219 117 205 148 272 75 230 0.973 27.48 -4.9 88 91 94 93 437 16.6 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\B WA_REP4.FIN LQC1-N1008 Sucrose 27.4306 2622.4 6.5 scans 100% 73 m/z 0.0086% 14.6% 2029 0.2 1501 3144801 92096664 88547834 1-1 20: 73 217 147 103 271 169 129 243 218 319 191 74 133 219 117 205 148 272 75 230 1.000 27.59 -17.1 100 99 98 99 437 282.2 3.561 -0.160 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN EXBLK5S-N1006 Contamination 6.3712 1048.3 4.1 scans 62% 207 m/z 1.2% 0.0744% 27 1.6 100 22131 421903 282500 10-4 14: 207 73 295 208 209 191 296 297 279 193 247 119 133 189 0.977 6.63 -15.0 97 97 90 97 295 32.7 10.719 -0.254 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1194 Alanine 7.4191 1110.4 12.6 scans 62% TIC 2.3% 0.0471% 127 1.8 74 11787 0.100% 267555 267555 566870 0-0 0.921 7.40 0.9 94 94 90 95 283 5.3 0.513 0.015 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN A-KETO~2-N1006 Contamination?? 7.9663 1142.8 2.6 scans 76% 156 m/z 2.4% 0.0188% 179 1.1 79 11119 0.0257% 106620 104271 145686 2-4 8: 156 75 55 157 54 61 74 76 0.989 7.96 0.6 97 97 95 98 156 42.1 28.564 0.009 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1192 Contamination 8.0484 1147.7 3.0 scans 51% TIC 7.9% 0.00629% 186 1.8 50 3433 0.0284% 35657 34614 160991 1-0 0.833 7.99 3.5 85 89 82 88 235 9.2 3.327 0.059 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1188 Contamination 8.3840 1167.6 5.5 scans 71% 281 m/z 2.6% 0.0268% 218 2.2 78 10332 0.0512% 152157 152157 290238 0-0 10: 281 369 73 282 147 283 370 265 249 371 0.984 8.41 -1.8 98 98 82 99 369 23.7 9.238 -0.031 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1184 Valine 9.2026 1215.9 4.5 scans 61% 144 m/z 3.8% 0.0121% 296 0.5 50 7029 0.0155% 68771 65196 87865 4-0 4: 144 73 145 218 0.965 9.19 0.9 94 94 84 94 218 15.6 9.675 0.015 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1180 Benzoic acid 9.7676 1249.0 3.1 scans 66% 179 m/z (217) 6.0% 0.0106% 350 0.7 51 4511 60310 56376 2-1 5: 179 105 135 77 180 0.910 9.76 0.5 90 91 85 97 194 7.5 2.126 0.009 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1178 Ethanolamine 10.0033 1262.7 4.8 scans 51% TIC 4.9% 0.00522% 372 1.0 45 5487 0.399% 29620 29620 2261813 0-0 0.934 10.03 -1.8 87 87 75 92 262 6.1 1.833 -0.031 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN VEN77_S6-N1002 Glycerol 10.0928 1268.0 2.5 scans 94% TIC 0.056% 0.681% 381 1.0 471 486102 3865859 3818931 0-2 0.990 10.09 -0.0 100 99 97 100 299 278.7 35.163 -0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2538 1277.4 2.9 scans 70% 73 m/z 3.7% 0.00956% 396 1.1 56 7230 54233 51103 1-1 6: 73 198 211 77 199 70 0.965 10.24 0.8 90 89 85 90 381 5.0 0.795 0.014 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1176 Isoleucine 10.4442 1288.5 3.1 scans 55% 158 m/z 4.4% 0.00831% 414 0.9 47 6202 47125 46198 4-0 3: 158 218 159 0.933 10.46 -0.9 94 94 83 94 260 0.0 0.000 -0.015 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1012 Proline 10.5326 1293.7 3.2 scans 77% 142 m/z (180) 0.86% 0.0422% 423 0.7 99 31628 0.0541% 239751 216901 306677 4-1 6: 142 143 216 144 72 66 0.993 10.53 -0.1 95 96 95 97 216 19.2 3.761 -0.000 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6104 1298.3 2.5 scans 95% 147 m/z 0.13% 0.268% 430 0.9 311 208279 0.942% 1521287 1463884 5339918 3-1 20: 147 73 245 148 75 149 83 133 74 115 246 143 59 84 126 170 58 215 66 53 0.996 10.60 0.5 99 98 98 99 245 70.4 5.108 0.008 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1170 Glycine 10.6715 1301.9 >5 scans 58% TIC 1.9% 0.0102% 436 0.8 78 13843 0.751% 58374 58374 4257196 0-0 0.986 10.69 -0.9 92 92 86 92 276 12.2 2.479 -0.016 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7493 1306.6 2.7 scans 93% 147 m/z 0.056% 0.739% 443 1.2 470 487323 0.953% 4192125 4012927 5402274 2-1 20: 147 73 76 251 148 149 132 58 74 252 177 133 150 118 59 176 62 72 253 134 0.968 10.76 -0.5 100 99 98 100 251 107.4 5.243 -0.009 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1168 Glyceric acid 11.0282 1323.4 2.5 scans 97% 73 m/z 0.21% 0.288% 470 1.0 312 127771 1634997 1628061 2-0 20: 73 147 292 189 133 103 205 293 190 117 102 148 307 75 74 59 101 149 191 175 0.997 11.05 -1.5 100 99 99 100 292 91.2 8.550 -0.026 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0892 1327.0 2.5 scans 59% 285 m/z 11% 0.00582% 475 1.2 45 2329 33016 33016 1-0 4: 285 184 174 86 0.982 11.06 1.5 85 84 79 92 285 15.0 11.220 0.026 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1018 Uracil 11.1481 1330.6 2.5 scans 54% 241 m/z 10% 0.00479% 481 1.0 40 2558 27199 26446 0-3 6: 241 99 256 255 242 183 0.961 11.15 -0.0 96 97 97 99 256 14.4 12.809 0.000 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1162 Fumaric acid 11.3701 1344.0 2.5 scans 96% 245 m/z 0.13% 0.309% 502 0.9 330 208238 1755543 1674611 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 155 74 84 53 59 61 157 58 1.000 11.39 -1.3 100 99 99 100 245 182.4 30.546 -0.023 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4659 1349.7 3.5 scans 54% 57 m/z 1.7% 0.0313% 511 1.0 88 15464 0.0334% 177936 167234 189335 2-0 13: 57 97 145 115 56 127 69 129 111 109 128 83 98 0.916 11.45 1.2 88 86 87 95 145 25.7 8.572 0.020 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1020 Serine 11.5143 1352.6 2.9 scans 91% TIC 0.45% 0.179% 516 0.6 211 60198 0.501% 1019227 964314 2840020 0-2 0.990 11.51 0.0 99 98 97 99 306 21.4 1.028 0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1160 Serine 11.5143 1352.6 2.6 scans 86% 204 m/z 0.46% 0.126% 516 0.9 206 59548 719371 675386 3-1 19: 204 73 218 205 100 147 219 278 206 74 306 116 220 279 280 307 216 101 189 0.990 11.56 -2.6 99 98 95 98 306 21.1 1.054 -0.043 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1022 Thymine 11.5995 1357.8 2.8 scans 69% 255 m/z 3.0% 0.00980% 524 0.9 55 8863 55599 54362 0-1 7: 255 270 256 271 120 269 257 0.959 11.60 -0.0 99 99 89 99 270 19.1 12.026 0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1024 Threonine 11.9215 1377.2 2.6 scans 92% TIC 0.92% 0.0776% 555 0.8 151 29683 0.0918% 440068 397206 520387 4-0 0.988 11.92 0.1 100 99 98 99 320 13.5 0.800 0.000 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1148 Glutamine?? 13.2893 1462.2 2.8 scans 90% 155 m/z 0.68% 0.0738% 685 1.0 146 39913 0.0978% 418392 393481 554399 0-2 18: 155 73 147 156 139 229 59 74 100 157 148 84 72 131 103 56 70 57 0.967 13.35 -3.7 92 89 94 97 257 9.7 0.442 -0.058 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1146 Malic acid 13.5534 1478.9 2.7 scans 98% 73 m/z 0.024% 2.67% 710 0.5 894 1120163 15147926 14584467 1-1 20: 73 147 233 245 133 189 335 190 75 148 175 191 74 149 101 55 234 217 307 265 0.999 13.62 -3.9 100 99 99 99 350 23.0 0.067 -0.064 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1026 Malic acid 13.5534 1478.9 2.7 scans 92% 73 m/z (145) 0.024% 2.54% 710 0.5 866 1122548 14438171 13901113 1-1 20: 73 147 233 245 133 189 335 190 75 148 175 191 74 149 101 55 234 217 307 265 0.990 13.53 1.3 96 98 97 97 335 79.2 0.000 0.020 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1142 Erythritol/Threitol 13.7081 1488.6 2.9 scans 73% 73 m/z 1.9% 0.0303% 724 1.0 100 14144 1.89% 171788 170397 10713849 0-1 15: 73 217 147 103 205 191 218 133 74 148 320 149 219 206 308 0.919 13.89 -11.5 94 92 92 96 320 9.5 0.912 -0.182 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.7481 1491.1 2.9 scans 41% 115 m/z (73) 20% 0.00350% 728 0.8 32 1321 0.00394% 19881 19881 22335 0-0 4: 115 243 100 128 0.805 13.81 -3.7 82 87 67 89 243 13.9 18.585 -0.058 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0185 1508.6 2.5 scans 25% 232 m/z (73) 1.1% 0.0298% 754 1.1 101 23647 168995 160532 1-1 12: 232 233 100 218 234 188 202 216 221 101 334 174 0.906 14.02 0.1 91 91 91 98 258 5.2 0.000 0.002 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1140 Aspartic acid 14.0269 1509.1 3.4 scans 63% 73 m/z (156) 0.58% 0.103% 755 1.2 160 46649 589307 567918 1-1 16: 73 147 75 74 72 231 59 259 148 149 66 70 114 71 76 99 0.971 14.09 -4.0 91 91 94 95 349 6.3 0.154 -0.060 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0269 1509.1 3.4 scans 82% 73 m/z (232) 0.41% 0.135% 755 1.2 183 65966 770149 742196 1-1 16: 73 147 75 74 72 231 59 259 148 149 66 70 114 71 76 99 0.993 14.03 -0.2 96 97 97 98 258 34.5 3.537 -0.003 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0311 1509.4 2.9 scans 70% 156 m/z (232) 0.42% 0.0953% 755 1.0 169 64628 540627 508140 1-1 20: 156 230 157 258 158 155 231 140 259 55 86 58 112 260 141 84 114 85 67 98 0.989 14.11 -5.3 96 97 96 99 273 6.6 0.152 -0.079 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1032 GABA 14.1869 1519.8 2.6 scans 78% 174 m/z 0.69% 0.0664% 770 1.0 147 39420 376416 345031 3-1 10: 174 304 175 305 86 176 216 100 172 306 0.981 14.19 -0.0 98 97 92 97 304 47.0 10.250 -0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3594 1531.2 6.5 scans 82% TIC 2.9% 0.0206% 786 1.5 73 9135 0.308% 116809 116685 1745961 0-1 0.986 14.62 -17.4 91 91 87 91 409 5.4 0.551 -0.262 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6088 1547.7 2.5 scans 94% 73 m/z 0.52% 0.101% 810 1.0 191 52018 576341 552919 1-1 20: 73 292 147 220 205 293 117 217 103 294 221 74 148 133 319 102 291 149 206 75 0.998 14.69 -5.5 99 98 97 98 409 13.2 0.483 -0.083 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7393 1556.4 2.8 scans 69% 174 m/z 0.52% 0.0912% 822 1.1 165 52168 517226 509835 1-0 20: 174 175 86 176 91 250 100 59 130 251 65 117 162 87 144 101 116 131 102 158 0.961 14.16 38.1 91 93 90 99 250 30.4 3.385 0.574 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3769 1598.7 2.7 scans 79% TIC 1.0% 0.0366% 883 0.9 121 25320 0.0619% 207527 207527 350893 0-0 0.930 15.44 -4.3 91 90 90 92 393 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1036 Glutamic acic 15.5032 1607.4 2.6 scans 36% 246 m/z 16% 0.00162% 895 0.9 24 1663 9208 9208 0-0 2: 246 128 0.811 15.50 -0.0 84 86 58 92 363 0.0 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1118 Phenylalanine 15.6021 1614.2 2.8 scans 75% 218 m/z (267) 3.1% 0.0211% 904 1.1 81 8737 120100 118577 0-1 7: 218 192 219 100 266 220 65 0.982 15.66 -4.0 93 94 90 96 294 4.1 0.262 -0.057 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1038 Xylose 15.8893 1634.2 >3 scans 67% 73 m/z 3.4% 0.0182% 932 1.0 75 7847 0.0598% 103416 99663 338988 2-0 10: 73 103 217 307 218 308 333 219 160 277 0.973 15.89 -0.0 86 81 86 97 307 18.9 6.385 -0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1040 Xylose 16.0051 1642.2 2.6 scans 92% 73 m/z 0.68% 0.0852% 943 1.0 171 40215 0.145% 483439 477046 821962 2-0 20: 73 103 217 307 147 308 160 189 218 74 133 277 309 205 75 117 204 89 234 104 0.997 16.00 0.1 98 96 97 99 307 45.5 7.089 0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1042 Ribose 16.1029 1649.0 2.7 scans 82% 73 m/z 1.5% 0.0375% 952 0.8 112 18103 0.212% 213055 196780 1201765 2-3 20: 73 103 217 307 147 277 308 218 133 160 189 309 74 205 104 117 89 219 204 72 0.994 16.10 0.0 97 96 96 98 307 32.1 8.232 -0.000 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6132 1684.5 2.6 scans 87% 73 m/z 1.3% 0.0531% 1000 1.5 129 20049 0.0713% 301202 270088 404179 1-0 20: 73 319 307 147 103 217 308 320 205 306 129 218 309 321 74 117 277 189 148 221 0.994 16.68 -4.3 99 98 97 98 497 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9257 1706.5 2.9 scans 72% 217 m/z 3.2% 0.0206% 1030 1.0 87 8475 0.155% 116922 116922 878649 0-0 17: 217 103 147 205 307 319 218 129 320 308 204 189 74 133 206 148 243 0.991 16.99 -4.6 93 93 90 93 422 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9962 1711.6 2.9 scans 90% TIC 0.81% 0.0936% 1037 1.2 165 33523 0.302% 530654 530550 1711948 0-1 0.996 17.06 -4.9 97 96 96 96 510 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1044 Putrescine 17.1877 1725.6 2.7 scans 67% 174 m/z (73) 1.8% 0.0169% 1055 1.2 74 14700 96248 95054 1-0 9: 174 175 214 86 176 172 130 100 361 0.982 17.19 0.0 91 92 91 96 376 5.1 0.475 -0.000 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1096 Putrescine 17.1877 1725.6 2.7 scans 55% 174 m/z 1.8% 0.0138% 1055 1.2 67 14727 78455 77482 1-0 9: 174 175 214 86 176 172 130 100 361 0.995 17.25 -4.4 97 96 95 97 458 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3771 1739.4 2.8 scans 46% 292 m/z 8.9% 0.00693% 1073 1.0 47 3052 39325 36063 1-1 4: 292 333 334 307 0.907 17.44 -4.9 87 89 77 88 511 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5655 1753.2 2.8 scans 94% 217 m/z 0.24% 0.194% 1091 1.1 249 113526 0.297% 1101959 1041547 1683605 3-2 20: 217 73 218 147 219 450 74 75 133 191 129 305 232 148 451 257 149 243 103 169 0.998 17.63 -4.8 97 95 96 97 450 32.0 1.656 -0.067 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6960 1762.7 3.5 scans 83% TIC 0.84% 0.112% 1103 0.7 165 32593 0.218% 635170 580922 1235777 1-0 0.967 17.70 -0.2 98 97 96 98 375 17.9 1.182 -0.003 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1295 1794.3 3.7 scans 74% TIC 0.76% 0.0902% 1145 1.3 157 35901 0.209% 511601 466174 1184759 0-2 0.909 18.13 0.3 96 96 92 99 372 16.9 1.171 0.004 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1048 Citric acid 18.2462 1803.0 2.6 scans 56% 273 m/z 2.5% 0.0302% 1156 1.0 99 10900 0.0311% 171459 171459 176297 0-0 15: 273 347 363 274 375 275 348 211 183 221 466 67 349 377 262 0.960 18.24 0.2 98 98 93 99 465 16.0 2.624 0.002 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1076 Pregnane?? 18.7860 1844.2 3.2 scans 97% 345 m/z 0.043% 1.85% 1207 1.2 695 625132 10487686 10104188 1-1 20: 345 73 346 255 147 347 334 204 191 256 435 419 133 372 74 148 257 75 239 348 1.000 18.86 -5.5 100 99 99 100 537 51.5 0.551 -0.072 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1074 Adenine 18.8807 1851.4 3.4 scans 23% 264 m/z 9.6% 0.00287% 1216 1.4 27 2827 0.169% 16291 15167 958011 1-0 3: 264 265 279 1.000 18.94 -4.5 91 92 79 92 415 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1072 Fructose 19.0038 1860.8 7.9 scans 97% 307 m/z 0.013% 17.5% 1228 0.8 1438 2032160 29.9% 99722511 96231031 169494224 1-0 20: 307 73 217 103 147 308 277 218 309 133 205 189 74 117 219 104 148 191 204 129 1.000 19.03 -2.2 100 98 99 100 364 165.6 1.332 -0.029 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1050 Fructose 19.0238 1862.3 >3 scans 96% 73 m/z 0.015% 5.85% 1230 3.0 1370 1789831 30.0% 33192167 33192167 170061095 0-0 20: 73 147 189 89 75 172 129 291 72 131 262 134 163 288 102 302 260 157 100 192 1.000 18.98 3.3 100 99 99 99 364 161.6 1.395 0.044 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1070 Fructose 19.1385 1871.1 >4 scans 63% 309 m/z (365) 0.022% 6.22% 1240 0.4 1096 1198448 19.0% 35268218 34422017 107705360 1-0 20: 309 89 390 311 432 113 280 569 377 177 272 290 342 303 449 281 266 436 110 77 0.967 19.19 -4.2 87 89 90 89 554 46.4 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1052 Fructose 19.1469 1871.7 6.1 scans 100% 365 m/z 0.014% 12.8% 1241 0.3 1385 1846254 28.6% 72645795 71121714 162124910 0-1 20: 365 333 310 466 334 276 288 523 433 215 168 186 275 392 293 98 522 247 76 271 0.998 19.10 3.3 100 99 99 100 364 164.4 1.415 0.043 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1064 Mannose 19.3616 1888.1 6.7 scans 99% 322 m/z 0.011% 17.3% 1262 0.3 1555 2394125 98210901 98128151 1-0 20: 322 71 308 317 366 331 264 198 389 468 140 360 367 272 405 335 394 524 480 183 0.999 19.45 -7.1 100 99 99 100 319 618.4 15.873 -0.093 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1059 Glucose 19.5762 1904.7 3.0 scans 97% TIC 0.019% 4.81% 1282 0.5 1152 1386030 27303494 27240164 2-0 0.998 19.55 2.0 100 99 99 99 376 46.5 0.163 0.024 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7288 1916.9 3.1 scans 72% 73 m/z 1.5% 0.0356% 1296 1.2 113 18181 0.151% 202082 201447 855974 1-0 16: 73 244 147 117 89 74 59 148 206 320 217 75 83 126 58 118 0.978 19.79 -5.0 84 84 86 84 434 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6890 2077.9 4.0 scans 98% 305 m/z 0.014% 10.5% 1483 0.5 1542 1913843 59617055 59595092 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 320 433 367 129 133 219 192 1.000 21.75 -5.0 100 100 100 100 507 119.7 0.604 -0.060 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8595 2092.2 2.9 scans 97% 319 m/z 0.12% 0.686% 1499 1.1 443 212017 3891381 3764015 1-2 20: 319 73 205 147 320 217 103 321 262 117 206 74 204 133 229 148 157 89 129 291 1.000 21.93 -5.9 96 93 96 99 656 9.4 0.045 -0.070 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1888 2120.7 2.7 scans 40% 73 m/z (319) 0.62% 0.109% 1530 1.2 184 44044 0.139% 619113 619113 787950 0-0 20: 73 396 219 397 381 398 191 220 74 307 382 75 189 249 293 218 383 221 308 207 0.795 22.19 0.2 93 96 70 96 396 83.9 20.670 0.003 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1032 trans-Caffeic acid 22.1888 2120.7 2.7 scans 99% 73 m/z 0.31% 0.263% 1530 1.2 290 87517 0.337% 1494942 1494942 1910353 0-0 20: 73 396 219 397 381 398 191 220 74 307 382 75 189 249 293 218 383 221 308 207 0.999 22.25 -5.3 96 93 91 100 396 82.7 8.138 -0.061 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6676 2162.5 3.1 scans 93% 204 m/z 0.78% 0.0725% 1576 1.2 144 34957 0.120% 411413 411413 680244 0-0 20: 204 73 205 147 217 361 145 206 117 249 191 129 75 74 131 103 218 148 263 362 0.994 22.71 -4.0 95 93 95 98 518 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1270 2294.1 2.7 scans 67% TIC 12% 0.00425% 1715 1.1 34 2200 0.0106% 24143 17032 60088 2-3 0.946 24.01 10.6 81 84 75 83 490 0.0 0.000 0.117 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6510 2343.7 3.4 scans 96% 73 m/z 0.53% 0.217% 1764 0.6 216 50874 1231292 1215111 1-1 20: 73 331 147 191 217 421 103 319 307 262 205 333 332 204 74 259 422 89 148 192 0.996 24.65 0.1 99 99 98 99 466 12.6 0.339 0.001 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5323 2528.9 3.7 scans 81% TIC 2.6% 0.0380% 1943 1.5 96 10360 215728 204715 1-2 0.912 26.57 -4.2 95 95 85 94 512 33.0 11.778 -0.041 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1020 Sucrose 27.4025 2619.4 6.9 scans 9.5% 437 m/z (361) 0.055% 1.64% 2026 1.0 467 491091 9313393 9268598 1-0 19: 437 438 439 452 453 440 435 454 307 294 481 442 179 433 195 95 517 355 422 0.766 27.46 -6.2 95 97 95 99 437 280.1 35.975 -0.059 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1010 Sucrose 27.4025 2619.4 6.9 scans 99% 437 m/z 0.0084% 17.0% 2026 1.0 1511 3238694 96569964 96105481 1-0 19: 437 438 439 452 453 440 435 454 307 294 481 442 179 433 195 95 517 355 422 0.999 27.58 -18.8 100 99 98 99 437 295.4 3.850 -0.177 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1014 Sucrose 27.4172 2620.9 6.8 scans 89% TIC 0.0084% 13.1% 2027 0.3 1451 3228715 15.8% 74572802 71562418 89565510 1-0 1.000 27.49 -7.8 100 99 99 99 437 294.6 4.154 -0.073 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1008 Sucrose 27.4256 2621.8 6.7 scans 100% 73 m/z 0.0084% 16.8% 2028 0.2 1544 3238694 95554437 92631118 1-1 20: 73 74 75 273 101 69 258 59 173 55 119 87 181 85 228 76 261 83 248 290 0.999 27.59 -17.7 100 99 98 99 437 291.7 3.597 -0.165 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1016 Sucrose 27.4309 2622.4 6.8 scans 53% 361 m/z (363) 0.017% 2.95% 2029 2.1 1116 1551969 9.24% 16736312 16508430 52378817 0-1 20: 361 217 147 271 103 169 129 243 218 319 191 331 272 205 189 204 148 133 320 230 0.868 27.48 -4.9 84 85 92 94 437 16.7 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\B WA_REP6.FIN LQC1-N1018 Sucrose 27.4309 2622.4 6.8 scans 62% 361 m/z (73) 0.0085% 3.47% 2029 2.1 1211 3198439 10.8% 19726440 19457844 61221994 0-1 20: 361 217 147 271 103 169 129 243 218 319 191 331 272 205 189 204 148 133 320 230 0.961 27.47 -4.1 94 96 73 96 437 288.5 5.731 -0.039 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN EXBLK5S-N1006 Contamination 6.5888 1061.2 2.8 scans 80% 207 m/z 0.64% 0.0612% 48 1.4 131 42078 0.119% 461371 339342 895997 11-5 19: 207 73 295 208 209 191 296 297 279 193 189 133 192 177 247 210 280 119 265 0.989 6.63 -2.1 100 99 97 99 295 39.9 9.193 -0.036 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.7687 1071.8 8.5 scans 32% 117 m/z 8.1% 0.00709% 65 0.6 40 3332 0.0145% 53429 47725 109176 0-3 2: 117 147 0.931 6.82 -3.1 90 89 85 96 295 3.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1194 Alanine 7.3905 1108.7 >9 scans 55% TIC 6.3% 0.00761% 124 0.5 38 4279 0.0517% 57327 56240 389269 3-0 0.918 7.40 -0.8 86 87 80 87 283 4.1 1.157 -0.013 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN A-KETO~2-N1006 Contamination?? 7.8819 1137.8 2.7 scans 66% 156 m/z 5.0% 0.00826% 171 1.1 50 5445 0.00922% 62252 47288 69421 18-4 5: 156 75 55 157 54 0.967 7.96 -4.4 97 97 92 97 156 27.3 29.715 -0.075 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1192 Contamination 7.9671 1142.9 2.6 scans 77% 73 m/z 4.2% 0.0110% 179 1.2 67 6441 0.0144% 83202 82573 108423 2-0 15: 73 147 133 220 152 235 146 59 72 86 148 89 100 103 167 0.985 7.99 -1.3 95 95 91 95 235 13.3 3.970 -0.022 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN WTF2-N1026 Cadaverine NC 8.1828 1155.7 3.0 scans 86% 174 m/z 1.0% 0.0441% 199 1.3 105 26508 0.0546% 332783 250600 411104 8-8 17: 174 73 175 142 86 216 59 130 160 176 100 217 143 74 131 87 158 0.992 7.74 26.5 95 94 92 99 216 23.5 5.029 0.447 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1188 Contamination 8.3701 1166.8 3.9 scans 73% 281 m/z 1.9% 0.0298% 217 1.4 81 14198 224375 177547 7-11 12: 281 147 369 282 283 370 249 265 371 148 284 191 0.900 8.41 -2.6 99 99 98 99 369 25.1 9.595 -0.045 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1190 Contamination 8.4143 1169.4 3.3 scans 50% 211 m/z 7.0% 0.00908% 221 1.3 53 3892 0.0131% 68395 65121 98635 1-5 7: 211 140 198 77 70 186 126 0.973 8.48 -4.1 88 88 85 89 309 6.3 1.398 -0.070 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1184 Valine 9.1540 1213.0 3.3 scans 62% 144 m/z 5.1% 0.00529% 292 0.8 39 5306 39880 36099 2-1 3: 144 218 145 0.969 9.19 -2.0 93 94 84 94 218 13.1 11.252 -0.034 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1180 Benzoic acid 9.7222 1246.3 3.2 scans 81% TIC 2.5% 0.0168% 346 0.9 71 10647 127201 115100 1-6 0.949 9.76 -2.2 98 97 93 98 194 11.2 2.502 -0.037 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1178 Ethanolamine 9.9905 1262.0 3.3 scans 85% 174 m/z 1.2% 0.0282% 371 1.0 89 22618 0.0935% 212898 177308 703997 6-0 10: 174 73 175 100 176 86 133 59 130 131 0.983 10.03 -2.5 98 98 95 98 262 9.8 1.199 -0.043 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN VEN77_S6-N1002 Glycerol 10.0568 1265.9 2.6 scans 93% TIC 0.095% 0.318% 377 1.5 328 286062 0.339% 2398747 2371484 2552461 0-1 0.983 10.09 -2.1 100 99 97 100 299 198.1 36.578 -0.037 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LACTIC~1-N1034 Glycerol 10.0873 1267.7 3.4 scans 66% 205 m/z (299) 1.2% 0.0611% 380 0.7 124 22712 0.0714% 460241 405364 537598 1-4 13: 205 147 117 218 206 175 204 148 129 219 118 293 220 0.991 10.11 -1.3 94 95 94 99 293 8.3 0.448 -0.023 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2251 1275.7 2.7 scans 88% 73 m/z 1.2% 0.0251% 393 1.3 95 22360 189401 180206 1-2 15: 73 198 77 211 70 199 74 289 239 381 212 200 143 170 92 0.985 10.24 -0.9 98 97 95 97 381 10.4 1.202 -0.015 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1176 Isoleucine 10.4198 1287.1 >5 scans 66% TIC 5.9% 0.00481% 412 2.2 40 4602 0.130% 36240 35110 978820 3-0 0.964 10.46 -2.3 93 94 87 94 260 0.0 0.000 -0.039 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1012 Proline 10.5040 1292.0 2.8 scans 89% 142 m/z 0.47% 0.0512% 420 0.9 128 57700 0.0893% 385711 314360 672374 7-1 17: 142 73 143 216 144 72 74 59 66 217 70 100 133 244 140 218 68 0.999 10.53 -1.8 99 98 98 99 216 24.3 3.601 -0.029 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5808 1296.5 2.6 scans 94% 147 m/z 0.24% 0.111% 427 1.2 208 111266 0.608% 840526 804532 4577865 1-5 20: 147 73 245 148 75 149 83 74 133 246 115 143 59 84 170 126 66 85 55 61 0.997 10.60 -1.3 100 98 99 100 245 47.7 5.264 -0.021 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1170 Glycine 10.6408 1300.0 >4 scans 56% TIC 5.4% 0.00256% 433 0.9 43 5010 0.484% 19311 19311 3644222 0-0 0.943 10.69 -2.8 88 90 80 89 276 6.4 2.246 -0.046 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7260 1305.2 2.8 scans 93% TIC 0.054% 0.593% 441 1.2 438 503988 4465215 4293186 1-1 0.965 10.76 -1.9 100 98 98 99 251 100.8 5.304 -0.032 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1168 Glyceric acid 11.0090 1322.2 2.4 scans 97% 73 m/z 0.15% 0.299% 468 1.0 349 176110 2255169 2151467 1-2 20: 73 147 292 189 133 103 205 293 117 190 102 148 307 294 75 74 59 149 101 191 1.000 11.05 -2.7 100 100 99 100 292 106.2 9.267 -0.045 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0606 1325.3 >2 scans 63% TIC 9.4% 0.00497% 473 2.6 47 2879 0.212% 37448 37446 1596229 0-1 0.983 11.06 -0.2 91 91 82 94 285 14.0 8.887 -0.002 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1018 Uracil 11.1279 1329.4 2.7 scans 58% 241 m/z 11% 0.00279% 479 1.2 32 2288 0.00290% 21022 21022 21835 0-0 5: 241 256 99 255 242 0.940 11.15 -1.2 96 97 97 99 256 11.4 12.531 -0.020 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1162 Fumaric acid 11.3499 1342.7 2.5 scans 94% 245 m/z 0.34% 0.0901% 500 1.2 187 79374 678636 648963 2-1 20: 245 147 73 246 75 143 247 83 133 148 115 149 84 74 155 53 61 59 157 240 0.994 11.39 -2.6 100 99 98 99 245 104.3 31.271 -0.043 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4510 1348.8 2.8 scans 14% 57 m/z (84) 1.6% 0.0233% 510 1.2 86 16666 175565 165022 1-3 16: 57 50 145 97 115 127 56 69 129 111 59 128 109 58 72 71 0.821 11.45 0.3 88 90 87 98 145 25.9 9.055 0.005 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4604 1349.4 2.8 scans 88% 84 m/z 0.24% 0.140% 511 1.0 218 111614 1057946 1013246 1-2 20: 84 133 161 162 119 92 51 118 82 65 85 78 63 130 134 117 91 77 64 104 0.911 10.96 30.4 96 98 97 100 161 52.3 5.741 0.504 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1160 Serine 11.4973 1351.6 2.5 scans 60% 204 m/z (84) 2.2% 0.0195% 514 1.1 82 12234 147447 130427 4-1 9: 204 218 73 278 205 100 219 206 220 0.945 11.56 -3.6 94 97 89 96 306 8.5 1.069 -0.060 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN BRA4_R~2-N1008 Thymine 11.5846 1356.9 2.8 scans 54% 255 m/z 9.7% 0.00223% 523 1.5 27 2784 16806 16806 0-1 3: 255 270 256 0.970 11.58 0.1 98 99 99 99 270 9.5 12.238 0.001 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1154 Threonine 11.9097 1376.4 2.7 scans 85% 73 m/z 2.1% 0.0260% 553 1.3 93 12795 0.0286% 196504 173596 215340 6-6 20: 73 218 219 291 117 292 220 101 147 128 132 57 203 74 293 100 133 75 202 129 0.971 11.96 -3.1 97 96 93 97 320 8.3 0.804 -0.050 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1148 Glutamine?? 13.2828 1461.8 2.8 scans 82% 155 m/z 1.8% 0.0196% 684 1.2 83 14456 148006 137580 7-1 7: 155 156 229 139 59 149 100 0.962 13.35 -4.1 88 85 89 94 257 5.4 0.429 -0.064 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1146 Malic acid 13.5448 1478.3 2.4 scans 95% 73 m/z 0.030% 1.45% 709 0.5 743 884045 10929949 9739549 1-1 20: 73 147 233 245 133 189 190 75 148 335 191 175 74 149 101 55 234 217 265 307 0.999 13.62 -4.5 100 99 99 100 350 19.1 0.066 -0.072 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1142 Erythritol/Threitol 13.7079 1488.6 2.8 scans 78% 73 m/z 2.0% 0.0227% 724 1.1 94 13372 1.09% 171585 169686 8207028 2-0 17: 73 217 147 103 117 307 189 191 206 218 293 148 129 74 149 116 104 0.961 13.89 -11.5 95 95 94 96 320 7.8 0.699 -0.182 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1140 Aspartic acid 14.0173 1508.5 2.7 scans 53% 232 m/z 1.1% 0.0326% 754 1.0 109 23301 246152 240713 1-0 9: 232 233 100 218 234 202 61 117 142 0.666 14.09 -4.6 83 79 80 91 349 3.6 0.111 -0.070 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1028 Aspartic acid 14.0173 1508.5 2.7 scans 20% 232 m/z (156) 2.2% 0.0125% 754 1.0 67 12112 94344 92260 1-0 9: 232 233 100 218 234 202 61 117 142 0.672 14.02 0.0 93 94 87 97 258 5.0 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0267 1509.1 3.0 scans 88% 156 m/z 0.67% 0.0555% 755 1.0 133 40466 418573 396298 1-3 16: 156 147 258 230 157 158 75 259 133 112 140 58 86 66 85 67 0.890 14.03 -0.2 95 93 95 98 258 25.6 3.696 -0.003 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1134 GABA 14.1835 1519.5 2.8 scans 65% 174 m/z (306) 4.1% 0.00901% 770 1.1 56 6538 67885 67885 1-0 5: 174 304 175 176 86 0.987 14.24 -3.9 87 88 83 92 304 18.0 10.396 -0.059 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3645 1531.5 3.3 scans 88% TIC 2.3% 0.0241% 787 1.4 82 11606 0.125% 181751 170087 941173 0-2 0.992 14.62 -17.1 94 93 91 94 409 5.8 0.502 -0.257 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6118 1547.9 2.7 scans 87% 73 m/z 1.7% 0.0252% 810 1.1 96 15340 189859 185377 0-1 18: 73 292 147 220 205 293 117 148 221 294 103 133 319 74 102 409 206 149 0.992 14.69 -5.3 96 95 92 96 409 7.7 0.636 -0.080 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7370 1556.2 2.9 scans 56% 174 m/z 0.86% 0.0411% 822 1.1 120 31453 309906 307515 1-0 16: 174 86 175 176 250 100 59 65 251 130 162 118 117 131 87 116 0.917 14.16 37.9 89 92 87 99 250 21.8 3.291 0.572 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3851 1599.2 2.8 scans 78% 217 m/z 1.2% 0.0186% 884 1.3 90 21367 0.0296% 140728 140728 222870 0-0 7: 217 73 218 219 129 230 133 0.962 15.44 -3.8 96 95 93 95 393 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1036 Glutamic acic 15.5061 1607.6 2.8 scans 28% 246 m/z 18% 0.000928% 895 0.9 18 1488 6990 6990 0-0 1: 246 0.737 15.50 0.2 80 88 51 86 363 0.0 0.000 0.003 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1118 Phenylalanine 15.6040 1614.4 2.8 scans 69% 218 m/z (267) 7.1% 0.00697% 904 1.4 49 3806 52527 52527 0-1 5: 218 192 204 219 266 0.950 15.66 -3.8 81 81 76 91 294 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1038 Xylose 15.8933 1634.5 6.1 scans 42% 103 m/z 5.0% 0.00656% 932 1.2 47 5350 0.0508% 49452 48683 382493 1-0 5: 103 217 307 218 308 0.823 15.89 0.3 83 87 52 89 307 16.5 12.421 0.003 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1040 Xylose 16.0101 1642.6 2.8 scans 89% 73 m/z 1.0% 0.0438% 943 1.2 129 25509 0.0877% 329810 323365 660327 1-0 20: 73 103 307 217 147 308 189 160 218 277 133 74 205 104 309 75 204 117 105 148 0.995 16.00 0.5 97 96 95 98 307 36.7 8.124 0.006 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1042 Ribose 16.1090 1649.4 3.5 scans 83% TIC 1.2% 0.0502% 953 1.8 112 21465 0.175% 378577 376229 1317642 1-0 0.973 16.10 0.4 96 94 94 99 307 31.4 7.900 0.006 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6183 1684.8 2.9 scans 91% TIC 1.1% 0.0502% 1001 1.5 135 24305 0.0883% 378564 377811 664845 1-0 0.995 16.68 -4.0 99 98 97 98 497 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1104 Rhamnose 16.8771 1702.9 3.1 scans 74% TIC 3.1% 0.0133% 1026 0.8 69 8791 0.0989% 100582 100345 744656 1-0 0.974 16.93 -4.0 83 82 86 87 392 8.5 1.500 -0.055 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9339 1707.1 4.1 scans 71% TIC 3.0% 0.0153% 1031 1.5 79 8856 0.210% 115946 115946 1581170 0-0 0.983 16.99 -4.0 93 93 89 93 422 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0034 1712.1 3.6 scans 88% TIC 0.99% 0.0693% 1038 1.3 143 27282 0.251% 522504 522504 1889875 0-0 0.987 17.06 -4.4 98 97 96 97 510 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1096 Putrescine 17.1938 1726.0 2.9 scans 59% 174 m/z 1.0% 0.0229% 1056 1.1 86 26222 172544 167212 1-1 13: 174 175 214 86 176 200 172 361 100 130 215 146 99 0.994 17.25 -4.0 98 98 96 98 458 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1044 Putrescine 17.1938 1726.0 2.9 scans 66% 174 m/z (73) 1.0% 0.0258% 1056 1.1 91 26071 194499 188488 1-1 13: 174 175 214 86 176 200 172 361 100 130 215 146 99 0.988 17.19 0.4 96 98 95 98 376 7.2 0.628 0.006 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3906 1740.4 >5 scans 63% TIC 5.3% 0.0124% 1074 1.2 60 5126 0.0961% 93540 93540 723574 0-0 0.946 17.44 -3.9 88 88 84 90 511 4.3 0.520 -0.052 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5737 1753.8 2.9 scans 96% 217 m/z 0.13% 0.288% 1092 1.1 311 206570 2172694 2102100 2-1 20: 217 73 218 147 219 450 74 75 191 232 305 133 129 451 148 149 103 169 452 203 1.000 17.63 -4.2 97 96 96 98 450 41.5 1.786 -0.058 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7042 1763.3 4.0 scans 80% TIC 0.67% 0.113% 1104 0.8 169 40445 0.215% 854250 844353 1618817 1-0 0.935 17.70 0.4 94 93 93 94 375 18.2 1.156 0.005 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1086 Fructofuranose 18.0714 1790.1 3.9 scans 86% TIC 0.70% 0.0909% 1139 1.4 156 38898 0.335% 684718 620290 2522343 2-0 0.995 18.13 -4.5 98 96 95 98 437 43.6 7.845 -0.063 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1046 Shikimic acid 18.1356 1794.8 3.1 scans 63% 204 m/z 0.52% 0.0726% 1145 1.1 152 51873 546938 506242 5-2 15: 204 357 206 254 372 358 462 331 373 282 283 267 359 167 447 0.928 18.13 0.8 96 96 91 97 372 19.1 1.591 0.011 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1048 Citric acid 18.2502 1803.3 2.8 scans 57% 273 m/z 2.6% 0.0213% 1156 1.3 88 10341 0.0344% 160719 159565 259011 0-2 11: 273 191 363 375 274 465 192 211 275 364 466 0.969 18.24 0.5 88 87 81 92 465 13.0 2.173 0.006 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1076 Pregnane?? 18.7900 1844.5 4.7 scans 97% 345 m/z 0.073% 1.19% 1207 1.8 494 368515 9012569 8983388 0-1 20: 345 73 346 255 147 347 204 334 256 191 435 419 133 257 74 239 148 348 149 75 0.998 18.86 -5.2 100 99 99 100 537 37.5 0.579 -0.068 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1072 Fructose 19.0226 1862.2 >7 scans 95% 73 m/z 0.013% 12.3% 1229 0.4 1337 2064305 30.5% 93087925 87371204 229646190 1-0 20: 73 103 217 277 133 309 364 205 74 278 75 202 201 131 216 334 366 190 88 336 0.997 19.03 -0.8 100 99 99 99 364 156.2 1.371 -0.010 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1050 Fructose 19.0668 1865.6 10.7 scans 91% TIC 0.012% 6.76% 1234 0.5 1357 2193580 29.8% 50915804 50915804 224375621 0-0 1.000 18.98 6.6 100 99 99 99 364 151.4 1.250 0.087 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1052 Fructose 19.1825 1874.4 7.2 scans 97% 73 m/z 0.012% 12.8% 1245 0.3 1386 2177173 31.8% 96548691 96548691 239434388 0-0 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 262 117 219 189 89 104 148 0.998 19.10 6.0 100 99 98 99 364 162.4 1.377 0.079 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1068 Galactopyranose 19.2677 1880.9 >4 scans 28% 204 m/z (160) 1.2% 0.0480% 1253 1.5 102 21662 0.760% 362034 351022 5722331 1-0 3: 204 191 192 0.923 19.32 -3.6 89 91 88 92 435 8.1 0.637 -0.047 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1056 Glucose 19.3793 1889.4 8.8 scans 77% 320 m/z 0.012% 11.5% 1263 0.7 1263 2124720 13.3% 86858263 81985756 100140797 1-0 16: 320 321 322 364 365 274 278 246 323 308 366 343 172 91 333 330 1.000 19.33 3.6 100 99 98 99 364 93.3 0.549 0.047 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1064 Mannose 19.4014 1891.1 8.3 scans 98% 160 m/z 0.011% 17.2% 1266 0.1 1458 2380050 129812049 129717851 1-0 10: 160 317 309 53 259 342 81 348 281 479 1.000 19.45 -4.1 100 99 99 100 319 571.4 15.418 -0.054 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1062 Glucose 19.6044 1906.9 2.8 scans 97% 319 m/z 0.014% 4.94% 1285 0.4 1279 1876169 37251973 34708803 3-1 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 157 189 129 74 204 148 207 1.000 19.66 -4.2 100 98 99 100 319 507.3 15.793 -0.052 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1059 Glucose 19.6044 1906.9 2.8 scans 95% 319 m/z (317) 0.014% 4.96% 1285 0.4 1265 1846194 37377026 34825319 3-1 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 157 189 129 74 204 148 207 0.999 19.55 4.2 98 99 99 100 376 54.1 0.183 0.052 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1056 Ascorbic acid 19.9264 1932.8 2.9 scans 78% 332 m/z 1.1% 0.0496% 1315 0.9 129 22978 0.0639% 373595 360169 481128 3-5 13: 332 333 117 374 143 449 359 345 259 289 303 331 335 0.986 19.99 -4.9 93 91 88 94 449 14.2 1.214 -0.060 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2968 1962.6 2.7 scans 90% TIC 0.35% 0.134% 1351 1.3 214 76619 1011130 910966 1-3 0.977 20.41 -9.4 97 97 96 98 217 48.6 5.156 -0.117 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN WTF2-N1038 C16:0 21.1533 2032.9 2.7 scans 81% TIC 3.4% 0.0180% 1432 1.2 80 7821 135791 115226 1-9 0.963 20.62 44.6 84 88 88 93 328 8.5 1.144 0.536 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.7120 2079.8 6.3 scans 98% 507 m/z 0.013% 12.5% 1485 0.4 1458 1991016 94657444 94587543 1-0 20: 507 434 435 369 268 345 510 418 371 330 323 397 328 98 524 313 597 211 95 348 0.998 21.75 -3.1 100 100 99 100 507 113.1 0.603 -0.037 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1042 myo-Inositol 21.7183 2080.4 5.4 scans 87% 73 m/z (507) 0.013% 10.9% 1486 0.3 1441 1995893 82210542 77724674 1-1 20: 73 217 305 147 191 318 306 265 204 218 319 307 133 129 192 148 320 219 74 433 0.991 21.77 -4.7 95 95 97 99 318 379.9 6.966 -0.056 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8719 2093.3 3.1 scans 97% 319 m/z 0.083% 0.871% 1500 1.0 515 326665 6560854 6365619 1-2 20: 319 73 205 147 320 217 103 321 262 206 204 117 74 229 148 157 89 129 291 218 1.000 21.93 -4.8 95 92 96 99 656 11.7 0.052 -0.058 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1032 trans-Caffeic acid 22.1971 2121.4 2.6 scans 94% 73 m/z 0.31% 0.202% 1531 1.3 286 87709 0.292% 1526364 1526364 2198580 0-0 20: 73 396 219 319 397 205 381 147 398 103 320 307 220 191 217 382 74 321 75 249 0.999 22.25 -4.6 95 93 90 97 396 96.6 11.444 -0.053 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6684 2162.6 3.2 scans 94% 204 m/z 0.55% 0.0779% 1576 1.3 157 49549 0.224% 586872 586872 1686582 0-0 20: 204 73 205 147 217 145 361 117 206 249 191 362 129 75 103 133 263 305 148 219 0.997 22.71 -3.9 94 91 94 98 518 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN WTF2-N1036 C18:0 23.3987 2227.6 3.1 scans 79% 341 m/z 6.6% 0.0111% 1645 1.8 55 4129 0.0118% 83823 77059 88847 1-2 9: 341 117 342 132 129 75 145 55 57 0.994 22.89 45.8 85 92 83 92 356 7.1 1.641 0.510 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN BRA4_R~2-N1006 Spermidine 23.5102 2237.8 2.8 scans 68% 144 m/z 11% 0.00557% 1656 0.9 46 2404 42000 42000 0-0 7: 144 174 116 156 160 86 172 0.958 23.51 0.1 90 92 89 92 490 3.6 0.615 0.001 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1028 Glycerolgalactose 24.1268 2294.1 2.8 scans 69% 204 m/z 7.1% 0.00547% 1714 1.3 41 3797 0.0131% 41197 38928 98635 2-0 5: 204 73 337 147 205 0.951 24.01 10.6 85 87 78 85 490 0.0 0.000 0.117 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6571 2344.3 3.6 scans 80% TIC 3.2% 0.0249% 1765 0.8 78 8515 0.0365% 188136 184787 274822 0-2 0.951 24.65 0.7 92 92 86 91 466 5.4 0.482 0.007 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5342 2529.1 2.7 scans 53% 455 m/z (361) 2.4% 0.0255% 1943 0.9 95 10958 192087 191883 0-1 16: 455 512 513 247 456 514 57 248 349 457 497 263 484 423 515 235 0.980 26.57 -4.0 94 96 86 96 512 34.3 12.960 -0.039 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN WTF2-N1032 Sucrose 26.6510 2541.1 2.7 scans 80% 73 m/z 9.0% 0.00744% 1955 0.8 51 3029 0.0548% 56053 56053 412610 0-0 8: 73 361 273 437 217 362 438 147 0.975 26.87 -22.6 83 84 78 86 451 6.6 1.653 -0.219 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1020 Sucrose 27.4075 2619.9 9.5 scans 10% 437 m/z (361) 0.050% 1.68% 2026 1.6 436 542435 12681298 12589296 1-0 9: 437 438 439 453 373 350 393 367 343 0.828 27.46 -5.7 94 98 94 99 437 272.8 39.279 -0.053 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1018 Sucrose 27.4180 2621.0 9.4 scans 49% 361 m/z (73) 0.0084% 8.81% 2027 1.1 992 3229383 66391983 65220523 1-1 20: 361 363 364 320 272 450 233 291 435 260 256 366 163 455 304 349 263 334 223 277 0.853 27.47 -5.5 91 95 56 93 437 275.7 7.783 -0.052 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN TAB_REP6-N1070 Sucrose 27.4180 2621.0 9.4 scans 78% 361 m/z (362) 0.0083% 14.0% 2027 1.1 1250 3249076 105470393 103609411 1-1 20: 361 363 364 320 272 450 233 291 435 260 256 366 163 455 304 349 263 334 223 277 0.999 27.41 0.9 83 83 70 87 451 0.0 0.000 0.008 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1010 Sucrose 27.4180 2621.0 9.4 scans 99% 361 m/z 0.0084% 17.4% 2027 1.1 1405 3211961 131653647 129330671 1-1 20: 361 363 364 320 272 450 233 291 435 260 256 366 163 455 304 349 263 334 223 277 0.998 27.58 -17.2 100 99 98 99 437 269.2 3.699 -0.161 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN LQC1-N1008 Sucrose 27.4622 2625.7 9.1 scans 98% 73 m/z 0.0093% 16.2% 2032 0.1 1397 2919733 122082202 119995688 1-1 20: 73 217 147 103 271 129 169 218 243 191 319 74 75 117 204 133 219 189 205 230 1.000 27.59 -13.8 100 99 97 99 437 249.4 3.210 -0.129 G:\GCMS data\Nicotiana Panel polar\BLab_REP1.FIN GUA35_L1-N1020 Galactinol 30.6315 2982.6 2.9 scans 88% 204 m/z 3.1% 0.0116% 2333 1.2 63 8723 0.0132% 87963 87963 99388 0-0 12: 204 205 73 191 206 217 147 305 103 129 361 218 0.989 30.55 10.2 82 82 85 82 641 0.0 0.000 0.086 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN EXBLK5S-N1006 Contamination 6.5889 1061.2 2.9 scans 66% 207 m/z 1.3% 0.0216% 48 1.8 90 19671 0.0590% 192733 162877 524160 9-4 11: 207 73 295 208 209 191 296 297 279 193 192 0.969 6.63 -2.1 98 98 92 98 295 27.9 9.622 -0.036 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.7583 1071.2 7.8 scans 25% 117 m/z 11% 0.00345% 64 0.8 36 2343 0.0113% 30665 30665 100390 0-0 1: 117 0.879 6.82 -3.7 86 86 83 95 295 3.7 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1194 Alanine 7.3791 1108.0 5.8 scans 64% TIC 3.2% 0.00887% 123 0.6 55 8282 0.0504% 78851 78851 447757 0-0 0.986 7.40 -1.5 93 93 91 94 283 0.0 0.000 -0.025 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN A-KETO~2-N1006 Contamination?? 7.8768 1137.5 2.5 scans 62% 156 m/z 5.6% 0.00447% 170 1.2 48 4807 0.00690% 39795 38955 61300 0-1 3: 156 55 157 0.940 7.96 -4.7 95 97 90 96 156 26.3 30.507 -0.080 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1192 Contamination 7.9599 1142.4 2.5 scans 83% 147 m/z 2.3% 0.0158% 178 1.1 92 11391 0.0209% 140448 138291 185677 3-0 19: 147 73 133 235 220 148 59 146 72 86 160 100 103 89 74 131 149 134 174 0.992 7.99 -1.8 98 98 96 98 235 18.6 4.061 -0.029 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN WTF2-N1026 Cadaverine NC 8.1830 1155.7 2.9 scans 81% 174 m/z 1.6% 0.0215% 199 1.3 82 16260 0.0277% 191144 149425 246089 11-3 13: 174 73 216 175 86 142 59 160 130 100 176 217 131 0.989 7.74 26.5 96 96 94 99 216 19.5 5.695 0.447 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1188 Contamination 8.3702 1166.8 3.9 scans 85% TIC 2.0% 0.0187% 217 1.4 85 13402 0.0431% 166758 165196 382904 1-0 0.991 8.41 -2.6 99 98 87 99 369 25.9 9.209 -0.045 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1190 Contamination 8.4239 1169.9 2.6 scans 76% 73 m/z 2.3% 0.0142% 222 1.2 80 11570 0.0213% 126170 119603 189231 0-4 18: 73 140 211 198 77 126 70 69 186 117 309 78 74 113 215 170 72 199 0.984 8.48 -3.6 91 90 88 95 309 8.6 1.156 -0.060 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1186 Phosphate 8.5239 1175.9 2.6 scans 63% 241 m/z 4.6% 0.00488% 232 1.2 48 5887 0.00503% 43363 43325 44687 0-1 10: 241 211 242 163 215 133 256 135 243 269 0.959 8.56 -2.1 87 85 73 94 299 0.0 0.000 -0.037 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1184 Valine 9.1510 1212.9 3.1 scans 73% 144 m/z 2.7% 0.00870% 291 0.8 58 9914 0.0106% 77353 68575 94171 7-3 5: 144 73 218 145 219 0.980 9.19 -2.1 95 94 89 96 218 18.2 9.825 -0.037 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1180 Benzoic acid 9.7192 1246.1 2.7 scans 76% 179 m/z 4.0% 0.00928% 345 1.7 58 6738 82493 72016 1-6 6: 179 105 135 77 180 136 0.976 9.76 -2.4 96 95 89 97 194 8.7 2.232 -0.040 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1178 Ethanolamine 9.9906 1262.0 3.3 scans 89% 174 m/z 0.71% 0.0419% 371 1.0 122 37978 0.196% 372485 323340 1741278 3-0 20: 174 73 175 100 86 147 176 59 130 133 262 74 114 172 131 101 148 188 72 87 0.996 10.03 -2.5 100 99 98 99 262 13.5 1.224 -0.043 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN VEN77_S6-N1002 Glycerol 10.0643 1266.3 2.7 scans 93% TIC 0.032% 0.722% 378 1.2 558 825568 6415262 6202079 1-1 0.979 10.09 -1.7 100 100 99 100 299 344.2 38.192 -0.030 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LACTIC~1-N1034 Glycerol 10.0864 1267.6 3.6 scans 38% 205 m/z (299) 0.63% 0.0986% 380 0.7 174 42770 0.111% 876520 783938 986132 1-4 12: 205 147 117 218 206 204 175 129 101 219 217 220 0.960 10.11 -1.4 94 97 93 98 293 10.3 0.354 -0.024 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2263 1275.8 2.6 scans 92% 73 m/z 0.66% 0.0414% 393 1.3 134 40877 368363 352939 0-3 20: 73 198 77 211 74 199 70 239 212 381 289 72 200 75 170 92 143 63 142 56 0.996 10.24 -0.8 99 98 97 98 381 14.2 1.120 -0.014 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1176 Isoleucine 10.4220 1287.2 >3 scans 72% TIC 2.8% 0.00831% 412 1.6 59 9627 0.486% 73861 72463 4317659 3-0 0.952 10.46 -2.2 96 96 90 97 260 5.8 0.971 -0.037 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1012 Proline 10.5094 1292.4 2.8 scans 96% 142 m/z 0.040% 0.486% 420 0.9 451 668547 0.581% 4325167 4106567 5161646 3-0 20: 142 73 143 216 147 144 75 74 59 72 217 66 100 133 148 244 218 58 101 70 0.994 10.53 -1.4 100 98 99 100 216 83.3 3.428 -0.024 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1172 Maleic acid 10.5799 1296.5 2.7 scans 94% TIC 0.20% 0.111% 427 1.0 232 133569 1.59% 990032 990032 14125675 0-0 0.998 10.62 -2.6 99 98 98 99 245 53.4 5.276 -0.044 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1170 Glycine 10.6409 1300.1 3.3 scans 57% TIC 3.7% 0.00308% 433 0.9 52 7317 0.979% 27390 27390 8697507 0-0 0.934 10.69 -2.7 94 95 82 94 276 8.4 2.596 -0.046 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7335 1305.6 2.9 scans 95% 147 m/z 0.029% 0.947% 442 0.8 608 932034 8415676 8087991 1-2 20: 147 73 251 148 76 149 58 132 74 252 133 177 176 75 150 131 59 118 253 72 0.993 10.76 -1.5 98 97 96 99 251 144.7 5.690 -0.025 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1168 Glyceric acid 11.0081 1322.2 2.5 scans 96% 73 m/z 0.15% 0.254% 468 1.0 352 172279 2258200 2124620 1-2 20: 73 147 292 189 133 103 205 293 190 117 102 307 148 75 74 294 59 149 101 191 0.999 11.05 -2.7 100 100 99 100 292 108.2 9.462 -0.046 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0607 1325.3 >2 scans 62% TIC 8.9% 0.00430% 473 2.1 48 3046 0.179% 38209 37903 1590249 0-1 0.958 11.06 -0.2 95 96 85 96 285 14.9 9.542 -0.002 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1018 Uracil 11.1270 1329.3 2.7 scans 61% 241 m/z 11% 0.00278% 479 1.6 35 2327 24698 24698 0-1 4: 241 256 99 255 0.968 11.15 -1.3 96 97 98 99 256 12.9 13.882 -0.021 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1162 Fumaric acid 11.3490 1342.7 2.5 scans 95% 245 m/z 0.27% 0.0943% 500 1.2 212 99832 838220 796143 2-1 20: 245 147 73 246 75 143 247 83 148 133 149 115 240 155 53 74 84 61 59 127 0.996 11.39 -2.6 100 99 99 99 245 119.7 31.733 -0.044 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4500 1348.8 2.7 scans 13% 57 m/z (84) 1.5% 0.0212% 510 1.4 92 17807 188601 180913 1-4 13: 57 50 97 145 115 56 127 69 129 59 109 128 87 0.835 11.45 0.3 88 90 85 98 145 27.8 9.032 0.004 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4584 1349.3 2.9 scans 88% 84 m/z 0.22% 0.136% 511 1.1 232 122320 1213170 1163397 1-2 20: 84 133 161 162 119 92 51 118 82 65 85 78 63 130 134 91 117 93 77 64 0.917 10.96 30.3 96 98 97 99 161 56.5 5.920 0.502 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1020 Serine 11.4921 1351.3 >2 scans 79% TIC 1.0% 0.0371% 514 2.3 129 25296 0.237% 329916 310300 2105525 0-2 0.999 11.51 -1.3 99 98 98 99 306 13.5 1.100 -0.021 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1160 Serine 11.4963 1351.6 2.5 scans 75% 204 m/z (84) 1.0% 0.0356% 514 1.1 126 26342 316373 292324 4-1 16: 204 218 73 147 205 100 219 188 278 206 220 306 116 189 279 72 0.971 11.56 -3.6 96 98 94 98 306 13.8 1.196 -0.061 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN BRA4_R~2-N1008 Thymine 11.5858 1356.9 3.1 scans 60% 255 m/z 8.1% 0.00282% 523 1.1 33 3314 25134 23014 1-1 4: 255 256 270 156 0.966 11.58 0.1 97 98 97 99 270 10.7 10.301 0.002 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1024 Threonine 11.9088 1376.4 2.6 scans 92% 73 m/z 0.89% 0.0499% 553 1.3 150 30204 443726 421825 5-5 20: 73 219 218 117 291 292 147 101 220 57 293 75 203 100 128 132 129 74 133 130 0.991 11.92 -0.7 100 99 98 99 320 14.2 0.897 -0.012 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1148 Glutamine?? 13.2840 1461.9 2.9 scans 87% 155 m/z 0.84% 0.0322% 684 1.3 119 32116 0.0432% 286860 278784 383792 1-2 14: 155 73 147 156 139 229 59 100 157 74 148 84 230 131 0.981 13.35 -4.0 95 94 95 97 257 9.6 0.648 -0.063 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1146 Malic acid 13.5397 1478.0 2.8 scans 98% 73 m/z 0.037% 1.11% 708 0.6 682 720112 9879418 9694895 0-1 20: 73 147 233 245 133 189 148 75 190 335 191 175 149 74 55 101 234 265 217 59 0.998 13.62 -4.8 100 99 99 99 350 18.1 0.071 -0.077 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1142 Erythritol/Threitol 13.7080 1488.6 2.8 scans 75% 73 m/z 2.2% 0.0211% 724 1.3 94 12295 0.679% 187861 170460 6032285 1-2 17: 73 217 147 103 205 204 307 117 218 189 191 206 293 74 148 131 219 0.985 13.89 -11.5 96 96 95 96 320 7.5 0.644 -0.182 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1028 Aspartic acid 14.0174 1508.5 2.6 scans 22% 232 m/z (156) 0.79% 0.0294% 754 1.1 114 34216 261213 247790 1-1 17: 232 233 218 100 202 188 117 216 292 115 132 349 130 174 220 172 102 0.640 14.02 0.0 93 94 90 98 258 6.2 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0237 1508.9 3.2 scans 82% 73 m/z 0.27% 0.124% 754 1.1 217 97449 1104854 1043661 1-1 20: 73 147 75 74 158 133 59 72 149 131 70 86 67 76 57 114 71 134 228 98 0.877 14.03 -0.4 96 93 95 100 258 40.4 3.477 -0.006 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1140 Aspartic acid 14.0237 1508.9 3.2 scans 59% 73 m/z (156) 0.39% 0.0935% 754 1.1 184 68671 831253 785214 1-1 20: 73 147 75 74 158 133 59 72 149 131 70 86 67 76 57 114 71 134 228 98 0.973 14.09 -4.2 92 92 92 96 349 9.2 0.248 -0.063 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0279 1509.2 2.9 scans 76% 156 m/z (232) 0.25% 0.0965% 755 1.0 200 105278 857955 855345 0-1 20: 156 258 157 230 140 259 231 72 148 112 58 85 66 55 131 121 86 260 67 84 0.988 14.11 -5.5 96 96 97 99 273 8.1 0.162 -0.082 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN BRA4_R~2-N1002 4-Hydroxy Proline 14.1142 1514.9 2.8 scans 21% 230 m/z 21% 0.000663% 763 1.0 17 1245 5888 5888 0-0 1: 230 0.783 14.11 0.1 83 94 67 95 230 13.4 61.277 0.002 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1134 GABA 14.1836 1519.5 3.0 scans 87% TIC 1.1% 0.0340% 770 1.5 117 23443 0.216% 302919 298368 1918960 1-1 0.993 14.24 -3.9 97 95 95 98 304 35.0 8.996 -0.058 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3615 1531.3 3.4 scans 84% TIC 2.2% 0.0236% 786 1.6 91 12200 0.196% 209752 197847 1741278 0-2 0.974 14.62 -17.3 95 95 91 95 409 6.9 0.573 -0.260 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6108 1547.9 2.7 scans 95% 73 m/z 0.40% 0.105% 810 1.1 218 67186 939224 908723 1-1 20: 73 292 147 220 293 205 217 117 103 294 148 221 133 74 319 291 102 206 149 166 0.999 14.69 -5.3 99 97 96 98 409 16.2 0.549 -0.081 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7360 1556.2 2.9 scans 70% 174 m/z 0.55% 0.0515% 822 1.1 149 48667 458146 455888 1-0 20: 174 73 86 175 176 250 91 100 59 130 251 65 74 121 117 160 87 131 116 158 0.952 14.16 37.9 90 93 90 99 250 28.7 3.713 0.571 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3852 1599.2 2.8 scans 80% 217 m/z 1.0% 0.0324% 884 1.1 111 26892 0.0336% 288634 252021 298505 1-0 7: 217 218 219 215 103 129 230 0.930 15.44 -3.8 92 92 91 92 393 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1036 Glutamic acic 15.5052 1607.5 2.6 scans 63% 246 m/z 5.1% 0.00447% 895 0.9 47 5309 39727 39727 0-0 4: 246 128 247 248 0.945 15.50 0.1 97 98 91 99 363 4.7 0.986 0.002 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1118 Phenylalanine 15.6020 1614.2 2.8 scans 70% 218 m/z (267) 5.4% 0.00862% 904 1.5 59 4989 76630 76630 0-1 6: 218 192 204 219 266 100 0.946 15.66 -4.0 86 87 84 96 294 3.1 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1038 Xylose 15.8956 1634.6 >4 scans 70% TIC 4.4% 0.00996% 932 1.1 64 6081 0.0483% 88549 88549 429101 0-0 0.963 15.89 0.4 87 85 83 95 307 15.3 5.785 0.006 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1040 Xylose 16.0092 1642.5 2.7 scans 88% 73 m/z 1.1% 0.0357% 943 1.2 132 24496 317968 307627 1-1 20: 73 103 217 307 147 308 160 277 189 218 204 205 309 74 133 117 105 104 75 234 0.989 16.00 0.4 97 96 95 98 307 36.9 7.847 0.005 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1042 Ribose 16.1081 1649.4 3.1 scans 85% TIC 1.3% 0.0417% 952 1.7 113 20103 0.165% 370480 357499 1465872 1-0 0.981 16.10 0.4 96 94 95 98 307 33.8 8.953 0.005 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6184 1684.8 2.9 scans 90% TIC 0.95% 0.0575% 1001 1.4 156 28443 0.0791% 511267 487814 702730 1-0 0.998 16.68 -4.0 99 98 97 99 497 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9362 1707.2 4.5 scans 69% TIC 2.7% 0.0178% 1031 1.4 89 9960 0.297% 158878 158878 2638570 0-0 0.976 16.99 -3.9 91 91 87 91 422 3.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0014 1712.0 4.4 scans 80% TIC 0.99% 0.0617% 1037 1.7 144 27329 0.345% 548808 548808 3065005 0-0 0.952 17.06 -4.5 97 96 91 96 510 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1044 Putrescine 17.1929 1726.0 3.1 scans 66% 174 m/z (73) 0.69% 0.0348% 1056 1.1 115 39175 309908 299114 1-1 16: 174 175 214 176 172 86 361 100 130 146 142 99 187 362 128 126 0.993 17.19 0.4 96 97 95 98 376 9.5 0.686 0.005 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1096 Putrescine 17.1929 1726.0 3.1 scans 58% 174 m/z 0.67% 0.0301% 1056 1.1 108 39944 267783 258456 1-1 16: 174 175 214 176 172 86 361 100 130 146 142 99 187 362 128 126 0.989 17.25 -4.0 98 97 96 99 458 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3886 1740.3 >4 scans 66% TIC 2.4% 0.0174% 1074 0.9 84 10894 0.240% 154787 154787 2132177 0-0 0.963 17.44 -4.0 94 94 89 94 511 5.6 0.447 -0.054 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5728 1753.7 2.9 scans 93% 217 m/z 0.11% 0.276% 1092 1.1 334 242188 0.465% 2458586 2335192 4131094 4-2 19: 217 73 218 147 219 75 74 129 191 148 220 103 244 231 257 149 130 169 131 0.997 17.63 -4.3 97 96 96 98 450 41.0 1.508 -0.059 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6896 1762.2 4.2 scans 80% 73 m/z (319) 0.30% 0.192% 1103 1.5 232 89911 0.349% 1714264 1657722 3100541 1-0 20: 73 147 205 133 103 74 206 84 302 436 126 132 207 237 189 232 191 135 349 102 0.980 17.70 -0.7 91 92 91 93 375 22.4 0.931 -0.009 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1084 Shikimic acid 18.1346 1794.7 3.1 scans 34% 204 m/z (73) 0.38% 0.0492% 1145 1.1 137 70811 437307 414441 3-1 20: 204 357 255 372 254 447 331 358 282 462 256 373 167 356 283 448 267 195 239 463 0.952 18.20 -4.5 80 81 72 88 462 13.8 1.013 -0.062 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1046 Shikimic acid 18.1388 1795.0 4.1 scans 73% 73 m/z 0.42% 0.177% 1145 0.9 201 64587 0.244% 1580838 950547 2167714 8-0 19: 73 205 147 206 148 74 75 149 193 356 359 151 221 177 265 175 258 343 72 0.912 18.13 1.0 95 94 91 99 372 21.3 1.120 0.014 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1048 Citric acid 18.2514 1803.4 2.9 scans 45% 273 m/z (370) 3.3% 0.0130% 1156 1.1 74 8207 0.0166% 115807 115807 147476 0-0 12: 273 375 347 274 363 465 466 275 211 376 183 364 0.943 18.24 0.6 93 97 88 97 465 14.6 3.847 0.007 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1076 Pregnane?? 18.8238 1847.0 4.8 scans 97% 345 m/z 0.0096% 6.84% 1211 0.4 1332 2820687 60853028 58451739 1-1 20: 345 73 346 255 147 347 334 191 256 204 435 419 372 133 257 74 148 239 348 75 0.999 18.86 -2.7 100 99 99 100 537 100.5 0.572 -0.034 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1074 Adenine 18.8901 1852.1 3.4 scans 10% 264 m/z 10% 0.00139% 1217 1.4 25 2580 0.0931% 12398 12398 827107 0-0 3: 264 279 265 0.981 18.94 -3.8 89 91 74 91 415 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1050 Fructose 18.9995 1860.5 8.1 scans 95% 73 m/z 0.015% 6.57% 1227 0.6 1248 1701686 16.2% 58370392 55740066 143921975 1-0 20: 73 307 217 103 147 308 277 218 133 74 205 104 117 148 89 75 191 204 278 172 1.000 18.98 1.5 100 99 100 100 364 144.9 1.353 0.020 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1072 Fructose 19.0342 1863.1 >3 scans 92% 73 m/z 0.018% 3.66% 1231 1.0 1198 1478457 15.6% 32533561 32533561 138591531 0-0 20: 73 307 217 103 147 308 277 218 133 364 309 189 205 74 117 219 104 89 148 191 1.000 19.03 0.1 100 98 99 99 364 145.1 1.473 0.001 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1070 Fructose 19.1584 1872.6 7.0 scans 87% 73 m/z (220) 0.020% 6.30% 1242 0.3 1089 1295586 15.3% 56039389 56039389 135926310 0-0 20: 73 307 217 103 147 308 277 218 364 309 74 262 205 89 219 133 189 117 148 104 0.991 19.19 -2.7 91 92 93 93 554 63.5 0.341 -0.036 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1052 Fructose 19.1584 1872.6 7.0 scans 97% 73 m/z 0.019% 6.94% 1242 0.3 1151 1408045 16.8% 61730102 61730102 149252419 0-0 20: 73 307 217 103 147 308 277 218 364 309 74 262 205 89 219 133 189 117 148 104 0.999 19.10 4.2 100 99 99 99 364 137.3 1.426 0.054 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1056 Glucose 19.3762 1889.2 >9 scans 77% 319 m/z 0.012% 12.1% 1263 0.5 1304 2256684 13.7% 108258254 103631540 121711794 1-0 12: 319 307 277 305 376 323 244 263 200 288 333 352 0.999 19.33 3.4 100 99 98 99 364 94.9 0.531 0.044 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1066 Glucose 19.3762 1889.2 >9 scans 47% 319 m/z (73) 0.011% 7.86% 1263 0.5 1026 2289202 8.86% 69893242 66906162 78712883 1-0 12: 319 307 277 305 376 323 244 263 200 288 333 352 0.959 19.40 -1.7 85 88 71 89 319 573.1 31.306 -0.023 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1064 Mannose 19.4036 1891.3 10.0 scans 99% 73 m/z 0.011% 16.6% 1266 0.2 1504 2405293 147525050 143219656 1-2 20: 73 205 147 160 217 103 117 74 206 133 229 129 157 75 148 204 89 161 189 59 0.999 19.45 -3.9 100 99 99 99 319 587.5 15.314 -0.051 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1059 Glucose 19.6035 1906.9 3.3 scans 96% 319 m/z 0.013% 5.07% 1285 0.3 1316 1942225 45069118 43672683 1-1 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 129 157 74 189 148 204 89 0.998 19.55 4.2 100 99 99 99 376 57.4 0.191 0.051 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7392 1917.8 3.5 scans 73% TIC 1.0% 0.0367% 1298 1.3 134 26329 0.171% 326478 326478 1519176 0-0 0.972 19.79 -4.1 87 87 87 87 434 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN N406_R~2-N1016 Galacturonic acid 19.7939 1922.2 2.5 scans 12% 333 m/z 7.3% 0.00226% 1303 1.1 32 3681 0.00723% 20088 18069 64232 1-0 2: 333 334 0.871 19.79 0.1 84 88 73 89 423 5.0 2.418 0.001 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2937 1962.4 2.5 scans 77% 204 m/z 1.1% 0.0315% 1350 1.3 121 24527 279892 248360 1-2 6: 204 191 205 206 192 193 0.907 20.41 -9.6 92 92 88 94 217 31.0 6.608 -0.120 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1052 Gluconic acid 2 20.5221 1980.7 2.8 scans 51% 292 m/z 2.8% 0.0202% 1372 0.8 96 9558 0.0318% 180057 180057 282514 0-0 10: 292 319 333 293 294 320 433 359 277 321 0.910 20.60 -6.0 89 90 79 89 613 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1040 myo-Inositol 21.7268 2081.1 10.4 scans 58% 217 m/z (305) 0.014% 10.9% 1486 0.1 1172 1812271 97599376 97560242 1-0 9: 217 318 306 319 291 321 292 295 113 0.999 21.78 -4.5 88 89 95 90 378 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.7268 2081.1 10.4 scans 99% 217 m/z 0.012% 18.7% 1486 0.1 1534 2119302 166435418 166368683 1-0 9: 217 318 306 319 291 321 292 295 113 0.996 21.75 -1.8 100 99 99 99 507 113.6 0.551 -0.022 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1044 myo-Inositol 21.7321 2081.5 10.5 scans 41% 305 m/z (217) 0.012% 7.98% 1487 0.1 999 2121018 70896482 70867290 1-0 8: 305 204 307 218 320 308 293 343 0.972 21.77 -2.9 93 94 93 97 612 39.7 0.159 -0.035 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8815 2094.1 2.9 scans 96% 319 m/z 0.084% 0.663% 1501 1.1 519 320133 10.9% 5897980 5787945 96836391 3-1 20: 319 73 205 147 320 217 321 103 262 206 204 117 229 133 74 157 148 89 129 263 0.999 21.93 -4.0 95 92 96 99 656 11.3 0.048 -0.048 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2035 2122.0 2.6 scans 92% TIC 0.24% 0.198% 1532 1.2 309 109145 0.277% 1767424 1656476 2460888 1-0 0.997 22.19 1.5 94 90 88 100 396 125.1 16.409 0.017 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6696 2162.7 3.5 scans 86% 204 m/z 0.76% 0.0484% 1576 1.3 132 35460 0.0840% 430030 398441 746262 1-0 20: 204 73 205 147 217 249 206 361 117 145 131 191 74 129 219 218 250 189 133 362 0.995 22.71 -3.8 96 93 96 99 518 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN WTF2-N1036 C18:0 23.4030 2228.0 3.1 scans 85% 341 m/z 3.8% 0.0158% 1646 1.4 76 6997 0.0186% 141060 136661 165244 0-3 12: 341 117 132 342 145 129 55 57 356 201 69 118 0.990 22.89 46.2 87 94 88 94 356 11.1 2.162 0.514 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN BRA4_R~2-N1006 Spermidine 23.5145 2238.2 2.7 scans 84% 144 m/z 3.4% 0.0194% 1656 1.0 93 7885 172711 162464 1-5 20: 144 174 73 116 156 160 86 170 172 100 157 59 142 201 145 175 214 130 115 186 0.991 23.51 0.5 96 95 97 100 490 9.2 0.974 0.006 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1237 2293.9 2.7 scans 77% TIC 2.8% 0.0102% 1714 1.5 67 9545 0.0345% 91242 81521 306501 1-1 0.969 24.01 10.4 88 88 87 90 490 0.0 0.000 0.114 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6561 2344.2 4.0 scans 77% 73 m/z 3.1% 0.0242% 1765 0.6 83 8709 0.0382% 215160 206333 339372 3-1 17: 73 331 421 191 262 217 307 147 319 259 205 422 103 333 308 306 376 0.930 24.65 0.6 91 91 86 91 466 5.5 0.435 0.006 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7456 2352.7 2.7 scans 87% 73 m/z 2.8% 0.0190% 1773 1.1 91 9386 169604 158607 0-3 14: 73 217 147 292 305 375 103 451 219 376 293 129 131 133 0.981 24.81 -5.7 90 90 86 89 451 11.1 1.484 -0.059 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5333 2529.0 2.7 scans 56% 512 m/z 2.1% 0.0279% 1943 1.1 112 12618 248064 247826 0-1 18: 512 455 513 247 456 514 483 57 484 248 349 263 457 497 511 515 177 235 0.903 26.57 -4.1 96 96 85 96 512 42.5 14.419 -0.040 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN WTF2-N1032 Sucrose 26.6511 2541.1 2.8 scans 74% 361 m/z 8.9% 0.00714% 1954 1.0 55 3021 0.0521% 63435 56786 462860 1-1 9: 361 273 217 73 437 362 438 147 363 0.966 26.87 -22.6 84 85 78 86 451 5.9 1.172 -0.219 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9047 2567.3 3.1 scans 66% 371 m/z 4.0% 0.00842% 1978 1.3 56 6701 74857 73707 0-4 9: 371 372 459 57 55 203 239 373 71 0.977 26.39 52.7 83 92 78 92 459 9.9 3.144 0.511 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1020 Sucrose 27.4066 2619.8 12.5 scans 10% 437 m/z (361) 0.048% 1.78% 2026 2.2 449 561623 15827707 15782855 1-0 20: 437 439 453 440 365 332 206 145 449 347 207 263 463 194 160 277 358 377 297 178 0.777 27.46 -5.8 94 96 95 97 437 283.9 40.040 -0.054 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1010 Sucrose 27.4108 2620.3 12.5 scans 100% 451 m/z 0.0083% 18.0% 2027 1.8 1447 3247553 160739682 160271928 1-0 17: 451 438 452 359 365 332 450 347 433 356 442 194 466 260 393 358 278 0.997 27.58 -17.9 100 99 98 99 437 283.1 3.851 -0.168 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1018 Sucrose 27.4182 2621.0 12.4 scans 48% 361 m/z (217) 0.0083% 8.63% 2027 1.4 1004 3247553 9.35% 76707237 74754301 83066078 1-0 16: 361 362 363 364 331 306 244 183 221 171 293 193 346 174 310 185 0.882 27.47 -5.5 85 88 55 87 437 283.9 8.070 -0.052 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1014 Sucrose 27.4255 2621.8 12.5 scans 91% TIC 0.0084% 16.4% 2028 1.1 1386 3230558 18.0% 146345585 142626140 159913306 1-0 1.000 27.49 -6.9 100 100 99 100 437 281.0 4.141 -0.064 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1016 Sucrose 27.4350 2622.8 12.4 scans 38% 169 m/z (361) 0.027% 7.02% 2029 0.9 898 991714 7.75% 62428367 60384313 68851562 2-0 12: 169 243 219 230 189 245 157 291 161 142 249 279 0.947 27.48 -4.5 84 86 86 92 437 16.5 0.000 -0.042 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1008 Sucrose 27.4939 2629.1 >2 scans 97% 361 m/z 0.010% 3.08% 2035 2.1 1363 2604546 18.3% 27446573 27138254 162578527 0-1 20: 361 73 217 147 103 271 129 169 243 218 74 319 191 75 189 133 230 117 204 219 1.000 27.59 -10.4 100 99 97 99 437 224.3 2.723 -0.097 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN LQC1-N1006 Trehalose 28.3914 2726.3 2.9 scans 50% 361 m/z 6.2% 0.00384% 2120 0.9 43 4323 0.0300% 34127 33643 266522 0-1 4: 361 362 363 191 0.924 28.47 -8.6 89 91 74 90 565 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN GUA35_L1-N1020 Galactinol 30.1581 2926.4 3.3 scans 76% 204 m/z 2.5% 0.00948% 2288 1.2 71 10593 0.0350% 84243 84243 310943 0-0 14: 204 205 73 217 191 361 129 206 433 305 147 192 218 103 0.983 30.55 -46.0 84 91 89 90 641 7.0 0.984 -0.387 G:\GCMS data\Nicotiana Panel polar\Blab_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7585 3116.4 6.4 scans 66% 204 m/z 8.8% 0.00663% 2440 2.0 37 3074 0.00689% 58980 58980 61211 0-0 2: 204 205 0.993 31.68 9.8 81 82 75 82 597 8.1 4.783 0.083 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN EXBLK5S-N1006 Contamination 6.3575 1047.4 3.3 scans 63% 207 m/z 1.2% 0.0416% 26 1.7 100 22221 320807 230339 7-6 14: 207 295 73 208 209 191 296 297 193 177 133 189 192 247 0.928 6.63 -15.9 97 97 91 98 295 30.4 9.287 -0.268 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.8299 1075.5 12.1 scans 27% 117 m/z 7.2% 0.0125% 71 0.1 37 3806 96630 87276 2-6 2: 117 147 0.582 6.82 0.6 88 98 65 93 295 2.4 0.000 0.009 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN A-KETO~2-N1006 Contamination?? 7.9242 1140.3 2.5 scans 66% 156 m/z 4.6% 0.00751% 175 1.1 55 6014 0.00951% 57862 52961 73265 1-1 4: 156 55 157 54 0.969 7.96 -1.9 97 97 92 98 156 30.2 29.942 -0.033 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1192 Contamination 8.0084 1145.3 2.7 scans 69% 147 m/z 5.1% 0.0113% 183 1.3 63 5384 0.0136% 87805 70276 104775 2-9 11: 147 73 152 133 235 220 148 59 167 146 100 0.945 7.99 1.1 90 91 85 91 235 11.9 3.579 0.019 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN WTF2-N1026 Cadaverine NC 8.1936 1156.3 2.9 scans 86% 174 m/z 1.0% 0.0431% 200 1.3 114 27692 0.0668% 332707 269744 514628 3-8 20: 174 73 175 86 216 142 59 160 100 130 176 217 87 74 131 143 116 117 72 158 0.994 7.74 27.1 95 94 91 99 216 25.2 4.894 0.458 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1188 Contamination 8.3756 1167.1 4.1 scans 71% 281 m/z 1.5% 0.0394% 218 1.7 96 17833 0.0408% 304064 252055 314324 0-11 13: 281 147 369 282 283 370 249 371 207 191 149 205 266 0.899 8.41 -2.3 100 99 98 100 369 29.9 9.693 -0.039 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1190 Contamination 8.4440 1171.1 3.1 scans 72% 73 m/z 2.8% 0.0156% 224 1.1 76 9673 0.0306% 120709 113990 235743 0-5 14: 73 140 211 198 77 70 69 186 126 113 74 215 92 170 0.980 8.48 -2.4 91 90 86 93 309 7.1 0.874 -0.040 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1184 Valine 9.1784 1214.5 3.4 scans 64% TIC 4.7% 0.00389% 294 0.8 44 5848 0.0182% 30034 29054 140213 2-0 0.981 9.19 -0.5 93 94 85 93 218 14.0 10.121 -0.010 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1180 Benzoic acid 9.7445 1247.6 3.1 scans 76% 179 m/z 4.2% 0.0109% 348 0.9 60 6581 84711 77646 5-8 7: 179 105 135 77 180 136 194 0.980 9.76 -0.9 96 95 90 97 194 9.0 2.224 -0.015 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1178 Ethanolamine 10.0002 1262.6 4.2 scans 80% 174 m/z 1.3% 0.0300% 372 0.9 89 20513 0.0478% 231334 204966 368252 2-0 9: 174 175 100 86 176 59 262 130 74 0.985 10.03 -1.9 98 98 96 98 262 10.0 1.261 -0.034 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN VEN77_S6-N1002 Glycerol 10.0749 1266.9 2.7 scans 92% TIC 0.069% 0.426% 379 1.4 413 398357 0.446% 3284442 3185493 3435990 1-1 0.976 10.09 -1.1 100 99 98 100 299 245.7 35.449 -0.019 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LACTIC~1-N1034 Glycerol 10.1012 1268.5 3.9 scans 82% 205 m/z (299) 0.84% 0.0939% 382 0.7 159 33046 0.101% 723493 672334 778105 1-2 10: 205 117 218 103 204 175 129 219 118 220 0.993 10.11 -0.5 94 94 94 99 293 10.8 0.461 -0.009 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2390 1276.5 2.7 scans 86% 73 m/z 1.2% 0.0236% 395 1.2 99 22814 181820 170110 1-2 14: 73 198 77 211 199 70 381 239 74 212 72 143 200 92 0.988 10.24 -0.1 97 97 94 97 381 11.5 1.357 -0.001 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1176 Isoleucine 10.4347 1288.0 >3 scans 63% TIC 5.3% 0.00454% 413 1.3 43 5152 0.00566% 35001 33006 43605 2-0 0.950 10.46 -1.4 92 93 84 92 260 0.0 0.000 -0.024 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1012 Proline 10.5179 1292.9 2.9 scans 85% 142 m/z (180) 0.47% 0.0518% 421 1.0 132 58399 0.111% 399578 345102 855145 5-0 10: 142 73 143 216 144 72 217 100 70 140 0.997 10.53 -0.9 97 98 97 98 216 24.3 3.396 -0.015 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1014 Maleic acid 10.5978 1297.5 2.6 scans 96% 147 m/z 0.12% 0.227% 429 0.9 313 226906 0.896% 1752274 1717462 6902796 1-4 20: 147 73 245 148 75 149 83 133 74 246 115 143 59 170 84 126 66 72 215 58 0.997 10.60 -0.3 100 98 99 100 245 72.8 5.411 -0.004 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1170 Glycine 10.6589 1301.1 3.3 scans 38% 174 m/z 6.4% 0.00324% 435 0.8 35 4290 0.0184% 24983 24983 141754 0-0 5: 174 248 175 176 86 1.000 10.69 -1.7 82 83 60 83 276 7.3 4.266 -0.028 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7388 1305.9 2.9 scans 93% 147 m/z 0.045% 0.728% 442 1.2 509 613683 5610261 5483356 1-1 20: 147 73 76 251 148 149 58 132 74 133 177 252 150 176 59 62 118 72 253 222 0.969 10.76 -1.2 100 98 98 100 251 118.2 5.400 -0.019 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1168 Glyceric acid 11.0198 1322.9 2.4 scans 97% 73 m/z 0.12% 0.367% 469 0.9 413 228727 2828691 2741693 1-1 20: 73 147 292 189 133 103 205 293 102 117 148 190 307 75 294 74 149 59 101 191 0.999 11.05 -2.0 100 99 99 100 292 124.9 9.128 -0.034 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0766 1326.3 >3 scans 67% TIC 9.5% 0.00534% 474 1.5 52 2904 0.279% 41205 41205 2149420 0-0 0.958 11.06 0.8 91 92 86 95 285 14.9 8.344 0.014 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1018 Uracil 11.1387 1330.0 2.6 scans 59% 241 m/z 8.1% 0.00450% 480 1.3 44 3408 34665 34278 0-2 6: 241 256 99 255 242 113 0.929 11.15 -0.6 97 97 96 99 256 15.9 13.218 -0.009 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1162 Fumaric acid 11.3607 1343.4 2.5 scans 97% 245 m/z 0.13% 0.223% 501 1.1 317 206541 1723347 1673885 1-1 20: 245 147 73 246 75 247 143 83 133 148 149 115 155 84 74 53 61 59 58 157 0.999 11.39 -1.9 100 99 99 100 245 176.9 31.227 -0.032 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4585 1349.3 3.3 scans 15% 57 m/z 1.5% 0.0271% 511 1.2 94 18159 209085 189822 2-2 11: 57 97 145 115 127 69 129 59 111 128 109 0.366 11.45 0.8 89 90 87 98 145 28.2 8.906 0.013 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4722 1350.1 3.2 scans 85% TIC 0.21% 0.186% 512 1.2 245 128423 0.384% 1436919 1333304 2958341 3-2 0.919 10.96 31.1 95 96 97 100 161 59.7 5.913 0.516 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1020 Serine 11.5048 1352.1 2.5 scans 63% 204 m/z (84) 1.7% 0.0227% 515 1.1 100 15734 175552 170042 1-1 10: 204 218 205 219 100 278 206 220 306 189 0.973 11.51 -0.5 95 97 95 97 306 10.2 1.030 -0.008 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1160 Serine 11.5048 1352.1 2.5 scans 58% 204 m/z 1.7% 0.0206% 515 1.1 96 15555 158957 153969 1-1 10: 204 218 205 219 100 278 206 220 306 189 0.963 11.56 -3.1 94 94 86 96 306 10.0 1.093 -0.052 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1022 Thymine 11.5922 1357.3 2.8 scans 63% 255 m/z 6.3% 0.00343% 523 1.2 36 4388 26489 26489 0-1 3: 255 256 270 0.972 11.60 -0.5 97 97 87 97 270 11.9 10.766 -0.007 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN BRA4_R~2-N1008 Thymine 11.5932 1357.4 3.2 scans 62% TIC 6.4% 0.00310% 523 1.8 36 4325 0.299% 23934 20559 2303500 0-3 0.974 11.58 0.6 97 97 97 99 270 11.9 10.851 0.009 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1024 Threonine 11.9162 1376.8 2.5 scans 86% 73 m/z 1.6% 0.0289% 554 1.2 112 16818 0.0315% 223276 201183 242676 7-1 20: 73 218 219 117 291 292 220 101 147 293 57 74 100 75 132 203 128 129 59 202 0.968 11.92 -0.3 98 97 95 97 320 8.5 0.582 -0.005 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1148 Glutamine?? 13.2841 1461.9 2.7 scans 80% 155 m/z 1.7% 0.0218% 684 1.2 95 16311 168602 148152 7-3 7: 155 156 139 229 157 100 59 0.974 13.35 -4.0 81 75 86 94 257 6.9 0.531 -0.063 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1146 Malic acid 13.5450 1478.3 2.5 scans 99% 73 m/z 0.026% 1.65% 709 0.7 846 1057422 12781733 12775943 1-0 20: 73 147 233 245 133 189 148 75 190 175 191 335 149 74 55 101 234 217 265 59 0.999 13.62 -4.5 100 99 99 99 350 21.3 0.063 -0.072 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1142 Erythritol/Threitol 13.7102 1488.7 2.9 scans 84% 73 m/z 1.7% 0.0263% 725 1.1 105 15562 1.06% 202935 202935 8166254 0-0 19: 73 217 147 205 103 307 204 117 189 218 191 293 148 308 116 219 320 101 149 0.965 13.89 -11.4 95 94 94 96 320 8.7 0.684 -0.180 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1140 Aspartic acid 14.0175 1508.5 2.6 scans 23% 232 m/z 1.9% 0.0178% 754 1.2 87 14334 137809 132841 1-1 9: 232 100 233 218 234 202 188 117 216 0.307 14.09 -4.6 82 88 53 91 349 5.5 0.397 -0.070 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0175 1508.5 2.6 scans 16% 232 m/z (156) 1.9% 0.0128% 754 1.2 74 14334 99166 95591 1-1 9: 232 100 233 218 234 202 188 117 216 0.678 14.02 0.0 93 96 88 97 258 5.6 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0290 1509.3 2.9 scans 88% 156 m/z 0.41% 0.0807% 755 1.0 174 66762 621717 602630 1-1 18: 156 73 157 230 258 147 158 259 59 112 72 140 231 55 86 85 260 70 0.909 14.03 -0.0 99 97 98 99 258 33.5 3.710 -0.001 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1134 GABA 14.1848 1519.6 2.7 scans 62% 174 m/z (306) 3.7% 0.00940% 770 1.2 61 7465 72456 72456 1-0 5: 174 304 175 176 86 0.961 14.24 -3.8 88 89 82 93 304 19.5 10.019 -0.057 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3310 1529.3 2.9 scans 33% 239 m/z 10% 0.00370% 784 1.0 38 2604 28536 28536 0-0 6: 239 342 174 240 343 263 0.891 14.37 -2.9 81 80 40 89 342 16.3 18.421 -0.043 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3647 1531.5 3.3 scans 89% TIC 1.9% 0.0287% 787 1.4 96 13926 0.144% 221319 212802 1109378 0-1 0.993 14.62 -17.1 95 94 92 94 409 7.0 0.537 -0.256 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6109 1547.9 2.5 scans 88% 73 m/z 1.3% 0.0293% 810 1.3 114 20370 225890 221418 0-1 20: 73 292 147 220 293 205 117 294 103 245 221 131 133 74 291 148 319 206 102 149 0.993 14.69 -5.3 96 95 92 96 409 8.6 0.570 -0.081 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7382 1556.3 2.8 scans 57% 174 m/z 0.80% 0.0423% 822 1.0 129 34410 326600 323526 1-0 16: 174 86 175 176 250 100 59 130 162 117 65 251 158 116 101 144 0.937 14.16 38.0 90 93 91 99 250 23.8 3.372 0.573 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3832 1599.1 2.8 scans 77% 217 m/z 1.3% 0.0190% 884 1.1 95 20507 0.0311% 146907 146907 239595 0-0 7: 217 73 218 219 103 189 215 0.962 15.44 -3.9 96 95 92 96 393 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1036 Glutamic acic 15.5053 1607.5 2.7 scans 31% 246 m/z 18% 0.000955% 895 1.0 20 1472 7356 7356 0-0 1: 246 0.972 15.50 0.1 84 88 59 88 363 0.0 0.000 0.002 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1118 Phenylalanine 15.6031 1614.3 2.9 scans 69% 218 m/z (267) 6.5% 0.0102% 904 1.2 61 4268 0.0132% 78648 72331 101693 1-3 6: 218 192 204 100 219 217 0.945 15.66 -3.9 83 83 83 94 294 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1038 Xylose 15.8967 1634.7 >3 scans 69% TIC 3.4% 0.0104% 932 0.8 66 7938 0.0405% 80197 73429 312013 1-0 0.965 15.89 0.5 91 91 86 95 307 18.0 7.348 0.007 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1040 Xylose 16.0082 1642.4 2.7 scans 89% 73 m/z 0.96% 0.0485% 943 1.1 145 28912 374212 357190 1-1 20: 73 103 217 307 147 308 277 189 160 218 74 133 204 309 104 117 205 75 148 89 0.997 16.00 0.3 97 95 96 98 307 39.6 7.467 0.004 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1042 Ribose 16.1061 1649.2 3.0 scans 84% TIC 1.0% 0.0560% 952 2.0 130 25506 0.189% 432065 418070 1456059 1-0 0.979 16.10 0.2 97 95 95 99 307 36.5 7.918 0.003 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6174 1684.8 2.9 scans 90% TIC 1.0% 0.0585% 1001 1.4 151 27592 0.0906% 451179 438633 697984 1-0 0.993 16.68 -4.0 99 99 97 99 497 3.6 0.057 -0.059 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1104 Rhamnose 16.8763 1702.9 3.6 scans 74% TIC 2.8% 0.0154% 1025 0.9 77 9606 0.227% 119148 119148 1748811 0-0 0.979 16.93 -4.0 85 84 89 89 392 8.7 1.270 -0.056 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9321 1706.9 3.6 scans 74% TIC 2.0% 0.0235% 1031 1.5 105 13687 0.244% 181166 181166 1879779 0-0 0.986 16.99 -4.2 91 91 90 91 422 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0005 1711.9 3.1 scans 87% 73 m/z 0.80% 0.0762% 1037 1.3 171 34475 0.225% 587767 586968 1733403 0-1 20: 73 217 147 205 319 103 307 218 129 189 204 320 74 277 206 308 148 309 133 243 0.991 17.06 -4.6 98 97 96 97 510 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1096 Putrescine 17.1898 1725.8 2.8 scans 69% 174 m/z 0.80% 0.0276% 1055 1.3 104 34319 212699 209631 0-1 16: 174 175 214 176 172 86 215 130 361 142 146 376 99 362 187 126 0.994 17.25 -4.2 98 97 97 99 458 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5707 1753.6 3.0 scans 95% 217 m/z 0.12% 0.304% 1091 1.1 333 214725 0.395% 2348448 2238464 3043085 4-1 20: 217 73 218 147 219 74 75 191 133 129 148 103 149 220 143 169 59 231 203 72 0.999 17.63 -4.4 97 96 96 98 450 46.3 1.933 -0.061 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7023 1763.2 3.8 scans 80% TIC 0.67% 0.114% 1104 0.8 183 41073 0.221% 880652 875036 1702587 1-0 0.945 17.70 0.3 95 94 94 95 375 20.0 1.197 0.003 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1086 Fructofuranose 18.0695 1790.0 3.3 scans 91% TIC 0.26% 0.220% 1139 1.3 270 103824 0.599% 1702286 1636459 4614704 2-0 0.994 18.13 -4.6 97 95 94 99 437 76.1 7.950 -0.065 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1084 Shikimic acid 18.1337 1794.6 3.0 scans 40% 204 m/z 0.46% 0.0519% 1145 1.0 139 59158 0.0606% 400261 377475 466863 0-4 15: 204 255 206 357 372 254 331 283 282 462 359 447 373 332 267 0.891 18.20 -4.6 98 97 96 98 462 13.8 0.989 -0.063 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1046 Shikimic acid 18.1347 1794.7 >4 scans 61% TIC 0.45% 0.0480% 1145 1.4 172 60699 0.391% 370415 370415 3012269 0-0 0.915 18.13 0.7 93 92 88 96 372 22.1 1.650 0.010 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1076 Pregnane?? 18.7892 1844.4 4.5 scans 97% 345 m/z 0.062% 1.33% 1207 1.7 566 443565 10268661 10038583 1-1 20: 345 73 346 255 147 347 334 204 256 435 191 419 372 133 74 348 148 257 239 537 0.999 18.86 -5.3 100 99 99 100 537 42.9 0.577 -0.069 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1074 Adenine 18.8891 1852.0 3.7 scans 12% 264 m/z 11% 0.00179% 1217 1.3 24 2363 0.167% 13831 13831 1286570 0-0 2: 264 279 1.000 18.94 -3.9 88 91 74 91 415 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1072 Fructose 19.0112 1861.3 10.8 scans 99% 104 m/z 0.012% 14.6% 1228 0.8 1426 2137906 31.3% 113238040 110846816 241135619 1-0 20: 104 279 201 221 336 244 337 288 192 119 159 90 229 280 246 158 367 352 85 270 0.996 19.03 -1.7 100 98 99 99 364 166.3 1.366 -0.022 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1050 Fructose 19.0596 1865.0 >3 scans 95% 73 m/z 0.014% 4.65% 1233 1.0 1404 1902962 29.3% 35872381 35872381 225727592 0-0 20: 73 103 147 308 218 309 133 189 74 117 219 104 191 148 89 172 75 129 173 105 0.999 18.98 6.0 100 99 98 99 364 165.7 1.398 0.080 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1052 Fructose 19.1827 1874.4 7.2 scans 95% 73 m/z 0.012% 12.3% 1245 0.2 1457 2146309 30.3% 95376211 89905734 233431605 0-1 20: 73 103 217 307 147 308 218 277 205 117 74 133 309 89 219 104 364 189 148 75 0.997 19.10 6.0 100 99 98 99 364 171.2 1.384 0.079 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1068 Galactopyranose 19.2637 1880.6 >5 scans 48% 204 m/z (306) 0.43% 0.135% 1252 1.5 184 63777 2.08% 1042264 983661 16024348 1-0 5: 204 191 192 361 435 0.988 19.32 -3.9 87 86 90 95 435 14.6 0.630 -0.051 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1064 Mannose 19.4026 1891.2 8.3 scans 94% TIC 0.011% 16.1% 1266 0.2 1546 2360395 124509632 118089925 4-1 1.000 19.45 -4.0 100 99 99 99 319 598.1 15.023 -0.052 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN BRA4_R~2-N1004 Galactose 19.4037 1891.3 8.1 scans 85% 73 m/z (364) 0.010% 14.6% 1266 0.2 1466 2642389 112565005 106702210 4-1 20: 73 205 319 147 160 217 103 117 206 74 157 133 229 129 75 148 161 189 89 204 0.993 19.36 3.2 96 98 97 98 364 19.7 0.000 0.043 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1062 Glucose 19.5994 1906.5 3.3 scans 96% TIC 0.015% 5.20% 1284 0.4 1312 1759836 40107916 39978048 2-0 0.998 19.66 -4.6 100 99 99 100 319 516.4 15.548 -0.057 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7372 1917.6 3.8 scans 61% TIC 1.7% 0.0227% 1297 1.9 100 15492 0.130% 175457 167587 1001522 1-0 0.886 19.79 -4.3 84 87 72 85 434 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1056 Ascorbic acid 19.9245 1932.7 3.1 scans 79% 73 m/z 0.95% 0.0657% 1315 1.0 155 29080 0.149% 506826 453156 1147898 1-2 20: 73 332 147 205 333 117 374 289 133 259 89 272 359 345 148 74 331 149 207 103 0.984 19.99 -5.0 86 83 83 89 449 13.4 0.747 -0.061 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2959 1962.5 2.6 scans 96% TIC 0.13% 0.336% 1350 1.2 367 209123 2591075 2526328 0-2 0.993 20.41 -9.5 99 98 98 99 217 81.5 4.923 -0.118 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.7080 2079.5 6.1 scans 95% 434 m/z 0.013% 12.2% 1485 0.2 1526 2023936 94632650 94487451 1-0 14: 434 507 435 509 309 421 69 378 347 422 315 137 78 479 1.000 21.75 -3.4 100 99 99 99 507 117.6 0.596 -0.041 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN INOSIT~1-N1022 myo-Inositol 21.7143 2080.0 5.9 scans 14% 320 m/z (305) 0.11% 1.81% 1485 0.2 596 245497 13955828 13920820 1-0 20: 320 433 74 308 75 321 369 206 294 134 344 417 322 245 268 295 81 229 104 208 0.663 21.74 -2.3 88 93 76 97 507 117.6 3.895 -0.027 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1042 myo-Inositol 21.7175 2080.3 5.7 scans 82% 305 m/z (434) 0.013% 10.1% 1486 0.2 1444 2029481 78189571 77246389 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 367 129 133 291 219 192 148 0.979 21.77 -4.8 93 95 94 97 318 396.8 7.565 -0.057 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8690 2093.0 3.1 scans 97% 319 m/z 0.078% 0.903% 1500 1.1 565 355763 6961828 6698200 1-1 20: 319 73 205 147 320 217 321 103 262 206 204 117 74 229 133 148 89 157 129 291 0.999 21.93 -5.1 95 92 96 99 656 12.9 0.052 -0.061 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1032 trans-Caffeic acid 22.1962 2121.3 2.5 scans 95% 396 m/z 0.25% 0.248% 1531 1.2 345 110700 0.381% 1914499 1908501 2935229 1-0 20: 396 73 219 319 397 381 205 398 147 320 191 220 307 103 382 217 74 249 75 293 1.000 22.25 -4.7 93 91 88 96 396 123.4 12.834 -0.054 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6686 2162.6 3.2 scans 93% 204 m/z 0.50% 0.0880% 1576 1.2 174 54824 0.252% 678153 661417 1941411 1-0 20: 204 73 205 147 217 361 145 206 117 249 191 74 362 219 129 75 103 263 218 203 0.996 22.71 -3.9 93 89 94 98 518 0.0 0.000 -0.045 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN WTF2-N1036 C18:0 23.3989 2227.6 4.1 scans 76% 341 m/z 7.7% 0.0106% 1645 2.0 52 3587 0.0132% 82373 77279 101693 2-0 7: 341 117 342 132 129 145 55 0.985 22.89 45.8 84 91 78 91 356 7.4 1.998 0.510 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN BRA4_R~2-N1006 Spermidine 23.5083 2237.6 2.7 scans 57% 174 m/z 17% 0.00361% 1656 1.0 39 1616 27845 27845 1-0 5: 174 144 156 116 160 0.968 23.51 -0.1 81 83 84 83 490 0.0 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1249 2294.0 2.9 scans 70% 204 m/z 6.0% 0.00663% 1714 1.2 49 4567 0.0139% 51095 44432 107086 0-1 6: 204 337 147 217 205 103 0.975 24.01 10.5 86 86 83 88 490 0.0 0.000 0.115 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6552 2344.1 4.2 scans 79% 73 m/z 3.3% 0.0252% 1765 0.9 83 8334 0.0518% 194374 181285 399068 0-2 18: 73 331 421 191 307 147 217 262 332 205 259 305 103 320 422 308 206 218 0.953 24.65 0.5 91 92 86 91 466 4.7 0.319 0.005 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5323 2528.9 2.7 scans 54% 512 m/z 2.4% 0.0284% 1943 1.1 109 11525 219310 211396 1-1 17: 512 455 247 513 456 483 57 514 248 457 263 484 349 497 515 498 235 0.965 26.57 -4.2 96 96 85 96 512 41.8 14.805 -0.041 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN WTF2-N1032 Sucrose 26.6491 2540.9 2.8 scans 77% 361 m/z 9.5% 0.00825% 1954 0.8 56 2910 0.0563% 63585 54620 433736 0-4 8: 361 273 73 437 217 362 438 129 0.981 26.87 -22.8 83 84 79 86 451 6.5 1.357 -0.221 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1020 Sucrose 27.4056 2619.7 9.7 scans 25% 437 m/z (361) 0.025% 3.93% 2026 1.4 736 1094726 4.35% 30287283 29269976 33512458 1-0 20: 437 451 438 439 453 170 321 365 246 332 454 435 317 232 153 99 275 373 222 127 0.860 27.46 -5.9 86 84 36 96 437 291.2 15.720 -0.055 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1010 Sucrose 27.4088 2620.0 9.6 scans 98% 362 m/z 0.0088% 16.7% 2026 1.5 1458 3148357 128957274 124400047 1-1 20: 362 319 439 452 453 170 321 365 246 332 454 259 233 159 435 317 322 177 373 441 0.997 27.58 -18.2 100 99 98 99 437 285.6 3.865 -0.170 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1014 Sucrose 27.4193 2621.2 >7 scans 94% 271 m/z 0.0086% 13.2% 2027 0.7 1441 3223124 16.2% 102054579 98439700 124805017 1-0 17: 271 129 191 331 219 204 205 231 221 190 274 346 181 323 455 112 394 1.000 27.49 -7.5 100 100 99 100 437 291.2 4.116 -0.071 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1016 Sucrose 27.4435 2623.7 9.5 scans 57% 273 m/z (361) 0.015% 3.92% 2030 3.3 1106 1744919 9.94% 30271399 28594071 76577893 0-1 12: 273 304 269 348 334 207 374 378 294 197 110 239 0.975 27.48 -3.6 88 88 94 94 437 16.4 0.000 -0.033 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN LQC1-N1018 Sucrose 27.4435 2623.7 9.5 scans 51% 273 m/z (73) 0.0089% 3.55% 2030 3.3 1051 3110533 8.99% 27353579 25837926 69259080 0-1 12: 273 304 269 348 334 207 374 378 294 197 110 239 0.920 27.47 -2.8 91 94 60 93 437 275.9 6.952 -0.026 G:\GCMS data\Nicotiana Panel polar\Blab_REP3.FIN GUA35_L1-N1020 Galactinol 30.6474 2984.5 3.2 scans 85% 204 m/z 3.3% 0.0121% 2334 1.3 63 8391 0.0134% 93739 85676 103234 2-4 12: 204 205 191 217 206 147 361 218 230 129 103 305 0.986 30.55 12.1 81 80 84 81 641 0.0 0.000 0.102 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN EXBLK5S-N1006 Contamination 6.4257 1051.5 >32 scans 52% 207 m/z 4.8% 0.0927% 32 2.5 50 5328 0.220% 208856 208856 495187 0-0 1: 207 0.897 6.63 -11.8 93 93 85 93 295 15.1 9.020 -0.199 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1194 Alanine 7.1938 1097.0 8.3 scans 44% TIC 10% 0.0142% 105 2.0 32 2413 32092 25810 2-3 0.946 7.40 -12.5 86 89 81 88 283 0.0 0.000 -0.210 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN WTF2-N1026 Cadaverine NC 8.0756 1149.3 9.2 scans 45% TIC 18% 0.00729% 189 3.0 24 1371 16428 16428 0-0 1.000 7.74 20.1 88 92 81 92 216 6.4 6.993 0.340 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1188 Contamination 8.9668 1202.1 8.0 scans 73% TIC 8.1% 0.0343% 274 2.1 45 3205 0.0458% 77379 73500 103089 1-0 0.983 8.41 32.7 92 95 79 96 369 12.8 8.241 0.552 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1178 Ethanolamine 9.9337 1258.7 >5 scans 77% 174 m/z 4.0% 0.0331% 366 1.3 51 6402 0.284% 74547 68753 639241 6-0 4: 174 175 100 73 0.985 10.03 -5.8 95 95 89 95 262 5.2 1.003 -0.100 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN VEN77_S6-N1002 Glycerol 10.0158 1263.5 3.4 scans 95% 299 m/z 0.075% 1.73% 373 1.9 405 344577 3907841 3714344 1-4 20: 299 300 73 314 301 211 133 283 315 207 193 191 302 316 181 225 74 284 137 115 0.975 10.09 -4.5 100 99 98 100 299 245.2 36.739 -0.078 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN TAB_REP6-N1012 Proline 10.4493 1288.8 4.5 scans 93% 142 m/z 0.20% 0.557% 415 1.9 213 123984 0.711% 1253790 1216853 1600354 1-0 20: 142 73 143 216 147 72 74 66 217 75 101 70 100 148 244 133 99 170 55 149 0.996 10.53 -5.0 100 99 99 100 216 38.6 3.290 -0.084 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN TAB_REP6-N1014 Maleic acid 10.5251 1293.3 >4 scans 82% TIC 0.79% 0.172% 422 2.0 131 32565 1.58% 389197 364662 3556343 0-2 0.991 10.60 -4.5 99 98 96 98 245 29.1 4.966 -0.077 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.6682 1301.7 4.2 scans 93% 147 m/z 0.15% 1.00% 436 2.2 282 164885 2251170 2156067 1-5 20: 147 73 76 251 148 149 132 58 74 177 133 150 176 62 118 72 134 90 60 222 0.965 10.76 -5.4 100 99 98 100 251 61.8 4.800 -0.090 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1168 Glyceric acid 10.9702 1319.9 3.6 scans 95% 73 m/z 0.39% 0.570% 464 1.9 236 66540 1284826 1196732 1-2 20: 73 147 292 189 133 103 205 293 102 117 190 148 307 74 149 75 59 101 294 131 0.999 11.05 -5.0 100 99 99 99 292 70.1 8.789 -0.084 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN TAB_REP6-N1018 Uracil 11.0901 1327.1 4.4 scans 51% 241 m/z 20% 0.00879% 475 2.3 27 1275 19801 19801 0-0 4: 241 256 99 255 1.000 11.15 -3.5 91 94 89 94 256 10.3 14.598 -0.058 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1162 Fumaric acid 11.3174 1340.8 3.4 scans 93% TIC 0.53% 0.253% 497 1.7 165 48843 0.467% 571231 531736 1051147 1-0 0.998 11.39 -4.5 100 99 98 99 245 92.3 31.248 -0.076 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4079 1346.2 4.2 scans 80% TIC 1.7% 0.0625% 506 1.3 96 15278 0.394% 140885 140885 886835 0-0 0.995 10.96 27.2 90 89 87 96 161 21.5 5.027 0.452 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1160 Serine 11.4689 1349.9 3.4 scans 77% 204 m/z 2.5% 0.0801% 512 1.5 93 10376 0.123% 180498 175626 276855 1-2 13: 204 73 218 205 100 278 188 206 219 306 74 116 132 0.987 11.56 -5.3 93 91 90 96 306 9.4 1.015 -0.088 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN BRA4_R~2-N1008 Thymine 11.5615 1355.5 4.1 scans 54% 255 m/z 10% 0.00862% 520 2.2 28 2498 19418 19418 1-0 3: 255 270 256 0.982 11.58 -1.3 96 97 83 97 270 11.3 16.538 -0.023 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1154 Threonine 11.8845 1374.9 3.3 scans 84% TIC 3.3% 0.0602% 551 1.0 79 7685 0.0659% 135661 113445 148331 3-3 0.983 11.96 -4.6 96 95 92 96 320 8.1 1.037 -0.076 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1148 Glutamine?? 13.2671 1460.8 4.4 scans 78% TIC 3.6% 0.0294% 682 1.8 57 7043 0.155% 66200 66200 348882 0-0 0.981 13.35 -5.1 90 89 85 92 257 2.2 0.000 -0.080 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1146 Malic acid 13.5144 1476.4 2.6 scans 97% 73 m/z 0.080% 1.56% 706 0.9 481 322713 3522414 3376520 1-1 20: 73 147 233 245 133 75 148 189 175 190 74 55 335 191 149 101 234 59 217 265 1.000 13.62 -6.4 100 99 99 99 350 12.5 0.068 -0.103 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1142 Erythritol/Threitol 13.8311 1496.4 2.9 scans 44% 217 m/z 4.9% 0.0577% 736 1.0 86 5212 130077 112884 1-8 17: 217 205 147 103 204 117 189 191 307 218 133 206 148 116 149 293 101 0.579 13.89 -3.7 90 93 72 95 320 7.3 0.719 -0.059 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0131 1508.2 3.2 scans 85% 156 m/z 0.47% 0.267% 753 1.2 175 55327 601935 574539 1-1 20: 156 73 147 157 230 258 75 74 158 59 72 148 259 133 149 58 55 66 84 132 0.926 14.03 -1.1 96 95 95 99 258 33.6 3.689 -0.017 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN TAB_REP6-N1032 GABA 14.1709 1518.7 3.2 scans 78% TIC 6.4% 0.0233% 768 1.8 53 4063 0.335% 52620 50603 754035 4-1 0.987 14.19 -1.1 93 94 85 94 304 17.0 10.255 -0.017 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1134 GABA 14.1730 1518.8 2.9 scans 73% 174 m/z 6.4% 0.0213% 768 1.2 52 4063 47950 47950 0-1 6: 174 304 305 175 86 176 0.989 14.24 -4.6 92 92 85 94 304 16.3 9.967 -0.069 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3224 1528.7 >4 scans 79% TIC 5.8% 0.0348% 783 0.4 57 4467 0.109% 78452 72673 245343 2-0 0.988 14.37 -3.5 93 93 81 93 342 21.0 13.468 -0.052 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3593 1531.2 2.6 scans 70% 292 m/z 6.2% 0.0283% 786 1.1 63 4154 0.0338% 63727 58903 76079 1-2 8: 292 147 220 217 205 293 148 294 0.985 14.69 -22.0 91 92 86 92 409 4.7 0.566 -0.333 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6086 1547.7 2.5 scans 95% 73 m/z 0.78% 0.166% 810 1.1 161 33286 375489 361372 1-1 20: 73 292 147 220 205 293 117 217 103 294 221 74 148 133 319 149 75 291 131 102 1.000 14.62 -0.9 99 98 96 98 409 11.9 0.552 -0.012 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3810 1598.9 2.6 scans 79% 217 m/z 2.1% 0.0322% 883 1.1 74 12076 0.0551% 72517 72517 124022 0-0 7: 217 73 218 147 219 103 133 0.992 15.44 -4.1 91 89 88 94 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1114 Xylose 16.0070 1642.4 2.7 scans 81% 73 m/z 4.7% 0.0291% 943 0.8 63 5511 0.0727% 65561 59973 163637 0-1 10: 73 103 307 217 308 147 204 160 189 218 0.997 16.06 -3.9 91 90 89 94 307 17.8 8.051 -0.057 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN TAB_REP6-N1042 Ribose 16.1049 1649.2 3.0 scans 82% TIC 5.3% 0.0254% 952 0.8 57 4852 0.0947% 57243 57243 213156 0-0 0.990 16.10 0.2 90 90 87 92 307 16.0 7.875 0.002 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6162 1684.7 2.6 scans 87% 73 m/z 3.6% 0.0426% 1001 1.2 78 7093 0.0776% 95918 95025 174666 1-0 11: 73 319 307 103 217 147 308 320 129 321 74 0.998 16.68 -4.1 97 97 93 97 497 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9235 1706.3 >3 scans 80% TIC 6.2% 0.0294% 1030 1.0 69 4167 0.264% 66307 66307 594224 0-0 0.989 16.99 -4.8 89 89 85 89 422 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9971 1711.7 3.0 scans 84% TIC 2.9% 0.0651% 1037 1.0 91 8677 0.279% 146689 134482 627987 0-3 0.980 17.06 -4.8 90 90 86 90 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1096 Putrescine 17.1865 1725.5 2.6 scans 61% 174 m/z 2.8% 0.0211% 1055 1.1 55 9100 47545 46193 1-1 8: 174 175 214 86 176 172 200 130 0.996 17.25 -4.5 94 94 92 94 458 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN TAB_REP6-N1044 Putrescine 17.1865 1725.5 2.6 scans 69% 174 m/z (73) 2.8% 0.0240% 1055 1.1 59 9133 54074 52536 1-1 8: 174 175 214 86 176 172 200 130 0.997 17.19 -0.1 84 85 84 86 376 0.0 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5643 1753.1 2.6 scans 91% TIC 0.71% 0.149% 1091 0.7 144 36522 0.300% 336781 309292 675255 2-1 0.994 17.63 -4.9 96 95 93 95 450 21.2 2.182 -0.068 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6979 1762.8 2.8 scans 88% TIC 1.1% 0.214% 1104 0.8 154 23643 0.218% 482626 415660 490685 1-1 0.987 17.70 -0.1 98 98 96 98 375 17.1 1.240 -0.001 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN TAB_REP6-N1046 Shikimic acid 18.1240 1793.9 2.7 scans 85% 204 m/z (145) 1.7% 0.107% 1144 1.1 115 14621 0.169% 241165 212762 380394 5-2 5: 204 357 372 254 105 0.926 18.13 -0.1 85 85 82 90 372 11.2 0.935 -0.001 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1076 Pregnane?? 18.7911 1844.6 2.8 scans 98% TIC 0.020% 7.72% 1207 0.6 1001 1296997 17386314 17051926 0-1 0.999 18.86 -5.1 100 100 99 100 537 79.2 0.629 -0.067 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1072 Fructose 18.9637 1857.7 2.8 scans 98% 73 m/z 0.025% 7.82% 1224 0.7 1025 1003721 17605838 17357885 1-0 20: 73 307 217 103 147 308 218 277 133 309 364 189 205 74 117 219 104 148 89 191 1.000 19.03 -5.3 100 98 99 100 364 115.1 1.267 -0.069 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN TAB_REP6-N1052 Fructose 19.0868 1867.1 2.9 scans 93% 73 m/z 0.039% 5.81% 1236 0.8 821 655399 6.16% 13091630 12443988 13865237 1-0 20: 73 217 307 103 147 308 218 277 364 309 205 133 74 262 117 89 219 148 189 104 0.993 19.10 -1.3 99 98 98 98 364 95.8 1.365 -0.017 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN BRA4_R~2-N1004 Galactose 19.1983 1875.6 3.5 scans 47% 319 m/z (204) 4.0% 0.0378% 1246 1.1 72 6404 20.1% 85134 85134 45242087 0-0 4: 319 205 160 320 0.967 19.36 -12.5 86 87 81 92 364 0.0 0.000 -0.163 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN TAB_REP6-N1054 Galactose 19.2004 1875.8 >5 scans 45% TIC 4.5% 0.0183% 1246 1.3 70 5777 15.6% 41352 41352 35113262 0-0 0.954 19.22 -1.2 85 85 80 91 376 0.0 0.000 -0.016 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1064 Mannose 19.3088 1884.0 3.4 scans 97% 319 m/z 0.014% 18.1% 1257 0.4 1404 1808833 40873649 39612980 1-1 20: 319 73 205 147 160 320 217 321 103 206 117 229 133 157 129 189 74 148 207 204 0.995 19.45 -11.2 100 99 99 100 319 561.8 16.069 -0.146 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1062 Glucose 19.5350 1901.4 2.7 scans 95% TIC 0.050% 3.93% 1278 0.7 720 519806 8852020 8359973 1-1 0.993 19.66 -9.7 99 98 98 99 319 267.4 13.828 -0.121 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2810 1961.3 2.5 scans 80% 204 m/z 2.7% 0.0424% 1349 1.4 80 9522 0.143% 95535 90748 321872 1-2 6: 204 191 205 206 192 218 0.982 20.41 -10.7 86 86 85 85 217 19.3 5.811 -0.133 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6826 2077.4 3.9 scans 100% 507 m/z 0.015% 22.5% 1482 0.4 1498 1680021 50713891 50643295 1-0 20: 507 308 508 435 509 395 309 223 420 379 436 268 104 150 55 245 194 396 115 613 0.998 21.75 -5.5 100 100 100 100 507 120.2 0.646 -0.066 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8846 2094.3 3.9 scans 95% 319 m/z 0.64% 0.422% 1501 1.2 198 40302 949959 916230 1-2 20: 319 73 205 147 320 103 217 321 229 206 117 74 157 133 204 148 89 129 207 218 0.998 21.93 -3.8 97 96 97 98 656 3.2 0.026 -0.045 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2034 2122.0 3.4 scans 89% 396 m/z 1.0% 0.186% 1532 1.3 141 24489 419009 399150 1-4 18: 396 219 397 381 191 307 382 293 383 74 221 233 131 115 175 294 192 267 0.994 22.19 1.5 97 96 90 96 396 65.4 21.347 0.017 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.7000 2165.3 3.2 scans 85% 204 m/z 5.1% 0.0214% 1579 1.2 51 5059 0.0378% 48259 45532 85082 1-0 5: 204 73 205 217 147 0.989 22.71 -1.2 91 91 88 91 518 0.0 0.000 -0.014 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN WTF2-N1032 Sucrose 26.6563 2541.7 2.7 scans 88% 361 m/z 11% 0.0166% 1955 0.9 48 2177 37505 34642 3-1 7: 361 217 362 437 273 147 103 0.987 26.87 -22.0 84 85 78 86 451 5.0 1.077 -0.214 G:\GCMS data\Nicotiana Panel polar\Blab_REP4.FIN LQC1-N1014 Sucrose 27.3813 2617.1 2.8 scans 96% 361 m/z 0.012% 12.2% 2024 0.8 1257 2081129 27595636 25028220 1-5 20: 361 73 362 217 437 363 147 271 103 451 438 129 169 218 243 319 191 439 364 452 1.000 27.49 -11.6 100 100 99 100 437 255.4 4.154 -0.109 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN EXBLK5S-N1006 Contamination 6.2732 1042.5 11.9 scans 65% 207 m/z (152) 1.5% 0.243% 18 1.3 85 14337 582426 544049 2-0 4: 207 295 208 209 0.946 6.63 -20.8 93 95 86 96 295 26.9 10.042 -0.352 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.6772 1066.4 >17 scans 40% 73 m/z (234) 4.6% 0.112% 56 0.8 57 4852 0.340% 269590 269590 813519 0-0 1: 73 0.931 6.82 -8.5 90 91 82 97 295 3.7 0.000 -0.144 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1194 Alanine 7.3506 1106.3 8.3 scans 83% TIC 0.97% 0.211% 120 0.3 98 23067 0.310% 505677 477309 741738 1-0 0.986 7.40 -3.2 96 96 94 97 283 3.2 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN A-KETO~2-N1006 Contamination?? 7.8546 1136.2 2.5 scans 68% 156 m/z 3.1% 0.0262% 168 1.3 63 7051 0.0355% 62690 57263 84941 17-2 5: 156 75 55 157 54 0.939 7.96 -6.0 94 93 90 98 156 34.0 29.611 -0.102 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1192 Contamination 7.9399 1141.2 2.6 scans 79% 147 m/z 2.5% 0.0460% 176 1.0 86 8921 0.0749% 110253 107550 179214 2-0 19: 147 73 133 220 235 148 152 146 59 72 86 160 131 167 74 100 149 134 70 0.992 7.99 -3.0 97 97 95 97 235 15.7 3.298 -0.049 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN WTF2-N1026 Cadaverine NC 8.1440 1153.3 6.1 scans 61% 174 m/z 4.6% 0.0362% 196 1.0 42 4778 0.0372% 86794 81073 89009 1-1 2: 174 216 0.965 7.74 24.1 88 90 79 90 216 11.9 8.067 0.408 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1188 Contamination 8.3460 1165.3 5.3 scans 65% 281 m/z 4.0% 0.0490% 215 1.3 54 5504 0.0510% 117316 96775 122028 5-2 7: 281 369 282 147 283 265 249 0.825 8.41 -4.1 98 98 95 98 369 17.3 10.175 -0.069 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1184 Valine 9.1372 1212.1 3.2 scans 75% 144 m/z 2.0% 0.0405% 290 0.8 67 11107 0.0591% 97109 84192 141409 3-9 7: 144 73 218 145 146 100 219 0.988 9.19 -2.9 96 95 91 97 218 21.6 10.352 -0.051 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1180 Benzoic acid 9.7075 1245.4 3.0 scans 79% 179 m/z 2.5% 0.0484% 344 1.5 71 8677 116000 99153 5-17 9: 179 105 135 77 180 136 194 51 181 0.945 9.76 -3.1 93 91 89 98 194 10.4 2.128 -0.051 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1178 Ethanolamine 9.9769 1261.2 3.8 scans 82% 174 m/z 1.6% 0.0597% 370 0.8 75 13240 0.163% 142884 128883 390011 2-0 9: 174 73 175 100 86 262 130 133 59 0.958 10.03 -3.3 97 96 92 96 262 8.8 1.389 -0.057 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN VEN77_S6-N1002 Glycerol 10.0464 1265.3 4.9 scans 83% TIC 0.34% 0.224% 376 1.4 174 65017 0.404% 536368 536368 966652 0-0 0.997 10.09 -2.7 98 97 92 99 299 103.4 35.098 -0.048 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LACTIC~1-N1034 Glycerol 10.0758 1267.0 3.0 scans 86% 147 m/z (299) 0.86% 0.198% 379 1.0 147 25790 0.219% 475435 437268 524002 2-3 16: 147 205 117 103 218 206 148 175 204 129 149 131 219 203 118 116 0.995 10.11 -2.0 94 93 95 99 293 9.1 0.386 -0.034 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2137 1275.1 2.8 scans 76% 198 m/z 3.0% 0.0247% 392 1.1 58 7235 59207 55121 1-2 7: 198 73 211 77 70 199 239 0.983 10.24 -1.5 93 92 88 92 381 6.8 1.391 -0.026 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1176 Isoleucine 10.4073 1286.4 2.9 scans 54% 158 m/z 3.6% 0.0184% 411 1.1 50 6121 0.0257% 44134 44134 61492 0-0 7: 158 218 159 117 232 205 116 0.851 10.46 -3.0 89 88 66 93 260 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1012 Proline 10.4946 1291.5 2.8 scans 94% TIC 0.13% 0.414% 419 0.8 238 163403 1.70% 990622 990622 4067596 0-0 0.996 10.53 -2.3 100 99 99 100 216 44.8 3.556 -0.038 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5682 1295.8 2.6 scans 90% 147 m/z 0.31% 0.200% 426 0.9 180 70280 1.15% 480482 479966 2751609 0-1 19: 147 73 245 148 75 149 83 133 74 246 115 59 84 126 170 247 66 61 72 0.985 10.60 -2.0 99 98 98 99 245 41.2 5.216 -0.034 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1170 Glycine 10.6324 1299.6 2.9 scans 79% 174 m/z 1.3% 0.0544% 432 1.0 94 16963 0.448% 130339 130339 1071931 0-0 13: 174 73 248 175 86 176 133 100 276 59 130 250 277 0.986 10.69 -3.2 98 98 95 98 276 13.9 2.203 -0.055 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7082 1304.1 2.7 scans 93% 147 m/z 0.097% 0.868% 439 1.4 324 230013 1.17% 2077656 1953752 2799463 3-1 20: 147 73 76 251 148 149 58 132 177 252 74 133 150 118 176 59 62 253 72 222 0.960 10.76 -3.0 100 99 98 99 251 76.2 5.534 -0.050 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1168 Glyceric acid 10.9975 1321.5 2.5 scans 94% 73 m/z 0.73% 0.165% 467 1.1 155 30440 397006 371047 1-4 20: 73 147 292 189 133 103 205 190 293 117 102 74 148 149 307 59 294 191 101 75 1.000 11.05 -3.4 99 99 98 99 292 47.4 9.388 -0.056 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0522 1324.8 >3 scans 55% TIC 20% 0.00630% 472 0.8 31 1076 0.104% 15079 15079 248841 0-0 0.908 11.06 -0.7 83 87 72 87 285 11.1 12.704 -0.011 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1018 Uracil 11.1196 1328.9 2.8 scans 57% 241 m/z 11% 0.00895% 478 1.5 34 1892 21419 21419 0-1 5: 241 256 99 255 242 0.930 11.15 -1.7 95 96 95 97 256 12.9 14.420 -0.028 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1162 Fumaric acid 11.3406 1342.2 2.5 scans 95% 245 m/z 0.42% 0.193% 499 1.2 165 52390 463098 447838 2-2 20: 245 147 73 246 75 143 247 83 148 149 115 133 155 84 74 127 240 85 248 61 0.998 11.39 -3.1 100 99 98 99 245 92.8 31.630 -0.052 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1160 Serine 11.4942 1351.4 2.5 scans 95% 204 m/z 0.17% 0.604% 514 1.0 306 126624 1446624 1385971 3-1 20: 204 73 218 205 147 100 219 188 278 206 75 74 133 306 220 116 59 189 216 132 1.000 11.56 -3.8 100 99 99 99 306 32.3 1.115 -0.063 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN BRA4_R~2-N1008 Thymine 11.5794 1356.6 2.8 scans 68% 255 m/z 5.2% 0.0106% 522 1.4 38 4263 25452 25452 0-1 4: 255 270 156 256 0.974 11.58 -0.2 99 100 100 100 270 13.0 11.882 -0.005 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7130 1364.6 3.4 scans 70% 147 m/z 4.6% 0.0332% 535 1.3 59 4847 0.0361% 79525 65006 86377 0-3 8: 147 73 247 101 59 116 148 87 0.908 11.79 -4.3 87 87 86 91 262 6.3 1.120 -0.072 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1024 Threonine 11.9056 1376.2 2.4 scans 95% 73 m/z 0.45% 0.277% 553 1.1 208 49409 665148 627004 1-7 20: 73 218 219 117 291 292 101 147 220 57 100 75 203 74 293 128 133 202 132 129 0.999 11.92 -0.9 100 99 99 100 320 19.1 0.844 -0.015 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1148 Glutamine?? 13.2808 1461.7 2.8 scans 90% 155 m/z 0.69% 0.125% 684 0.9 127 32313 0.178% 300388 270847 425901 0-3 15: 155 73 156 229 139 59 74 100 148 84 257 103 133 72 114 0.976 13.35 -4.2 97 95 95 98 257 9.3 0.531 -0.066 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1146 Malic acid 13.5333 1477.6 2.4 scans 98% 73 m/z 0.039% 2.72% 708 0.7 642 572676 6516802 6291403 1-1 20: 73 147 233 245 133 189 75 148 190 335 175 191 74 55 149 101 234 217 265 59 0.999 13.62 -5.2 100 99 99 99 350 15.9 0.062 -0.084 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1142 Erythritol/Threitol 13.7080 1488.6 2.7 scans 63% 217 m/z 7.1% 0.0173% 724 1.0 48 3137 0.0196% 41479 41479 46897 0-0 6: 217 205 103 189 307 117 0.975 13.89 -11.5 89 89 82 89 320 3.8 0.613 -0.182 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1144 Contamination Parabanica acid 13.7375 1490.5 2.8 scans 45% 115 m/z 14% 0.00708% 727 1.1 31 1540 0.00724% 16962 16155 17323 0-1 4: 115 100 243 128 0.953 13.81 -4.3 84 87 64 86 243 15.0 22.871 -0.069 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1028 Aspartic acid 14.0131 1508.2 2.5 scans 36% 232 m/z (73) 0.63% 0.105% 753 1.0 123 35433 252388 251477 0-1 20: 232 233 100 218 234 202 188 117 306 142 219 334 130 292 99 132 115 235 203 76 0.886 14.02 -0.3 92 94 84 97 258 5.0 0.000 -0.004 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1140 Aspartic acid 14.0184 1508.6 3.1 scans 68% 73 m/z (156) 0.41% 0.288% 754 1.1 184 54413 690207 657526 1-1 20: 73 147 75 74 158 133 216 148 72 59 149 70 131 58 174 86 101 84 66 134 0.960 14.09 -4.5 95 96 95 97 349 8.2 0.197 -0.069 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0184 1508.6 3.1 scans 67% 73 m/z (232) 0.38% 0.282% 754 1.1 182 58590 675437 643456 1-1 20: 73 147 75 74 158 133 216 148 72 59 149 70 131 58 174 86 101 84 66 134 0.977 14.03 -0.7 96 97 95 98 258 32.6 3.194 -0.012 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0226 1508.9 2.9 scans 48% 156 m/z (232) 0.38% 0.190% 754 1.0 155 58590 454784 442056 1-1 16: 156 157 230 258 158 231 58 55 140 86 260 154 85 67 214 141 0.936 14.11 -5.8 95 97 92 98 273 7.2 0.215 -0.087 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1032 GABA 14.1804 1519.3 2.7 scans 91% 174 m/z 0.53% 0.195% 769 1.1 164 41533 0.223% 467162 417747 533573 0-13 20: 174 304 73 147 175 305 86 176 75 59 306 246 216 143 133 172 130 100 148 74 0.999 14.19 -0.5 99 98 97 98 304 51.1 9.730 -0.008 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3572 1531.0 7.4 scans 76% TIC 6.0% 0.0209% 786 1.5 49 3677 0.829% 50035 42272 1983551 0-3 0.925 14.62 -17.6 86 87 77 87 409 0.0 0.000 -0.264 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6076 1547.7 2.5 scans 97% 73 m/z 0.15% 0.709% 810 1.0 332 142754 1697381 1664050 0-1 20: 73 292 147 220 205 293 217 117 103 148 221 294 133 74 319 149 75 291 102 206 1.000 14.69 -5.5 100 99 98 99 409 25.6 0.594 -0.084 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7349 1556.1 2.7 scans 74% 174 m/z 0.44% 0.182% 822 1.0 160 50441 436225 419785 1-1 20: 174 86 175 176 250 100 59 130 65 162 117 131 144 101 158 102 160 145 132 57 0.971 14.16 37.8 91 93 91 99 250 30.1 3.530 0.570 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1036 Glutamic acic 15.4999 1607.1 2.5 scans 74% TIC 5.6% 0.0151% 895 0.6 45 3950 0.0749% 36267 36267 179214 0-0 0.976 15.50 -0.3 97 97 93 98 363 5.7 1.652 -0.003 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1118 Phenylalanine 15.5988 1614.0 2.8 scans 78% 218 m/z (267) 3.7% 0.0337% 904 1.1 68 5993 80691 80691 0-0 6: 218 192 219 266 220 100 0.974 15.66 -4.2 92 93 90 97 294 4.5 0.442 -0.060 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1038 Xylose 15.8860 1634.0 2.8 scans 73% 217 m/z 5.2% 0.0232% 931 1.5 53 4288 0.140% 55600 55600 334979 0-0 4: 217 103 307 189 0.981 15.89 -0.2 90 88 84 94 307 15.1 8.065 -0.004 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1040 Xylose 16.0039 1642.1 2.6 scans 92% 73 m/z 1.1% 0.0991% 943 1.1 119 18823 237297 235499 1-0 20: 73 217 103 307 147 308 160 189 277 205 204 218 117 104 309 133 75 74 129 89 0.996 16.00 0.0 99 98 96 98 307 33.0 7.630 -0.000 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.2259 1657.6 2.9 scans 46% 290 m/z 4.9% 0.0102% 964 1.8 34 4506 24597 24597 1-0 3: 290 291 292 0.938 16.28 -3.5 90 93 60 93 392 6.1 3.147 -0.050 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1042 Ribose 16.3164 1663.8 3.2 scans 82% TIC 2.4% 0.0623% 972 0.7 81 9243 0.134% 149190 137971 320622 1-1 0.985 16.10 14.8 94 92 91 96 307 23.5 8.454 0.213 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6121 1684.4 2.6 scans 89% 73 m/z 1.6% 0.0811% 1000 1.5 108 13254 0.110% 194155 194155 263197 0-0 20: 73 319 307 217 147 103 308 320 205 306 129 309 218 74 243 321 148 117 157 277 0.997 16.68 -4.4 99 98 95 98 497 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9246 1706.4 4.2 scans 69% TIC 6.3% 0.0216% 1030 2.3 57 3515 0.366% 51740 51740 875730 0-0 0.963 16.99 -4.7 87 87 82 88 422 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9961 1711.6 3.0 scans 86% TIC 1.7% 0.0856% 1037 1.4 104 12578 0.445% 204911 204184 1064753 0-1 0.977 17.06 -4.9 95 95 91 95 510 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1044 Putrescine 17.1876 1725.6 2.7 scans 82% 174 m/z 0.58% 0.103% 1055 1.1 122 38219 247706 241624 1-1 18: 174 175 214 176 172 86 200 59 100 361 130 142 146 201 215 173 362 116 0.996 17.19 -0.0 99 99 97 99 376 9.9 0.658 -0.000 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3770 1739.4 2.7 scans 48% 333 m/z (345) 3.9% 0.0316% 1073 1.1 67 5710 0.149% 75781 74676 356513 0-1 8: 333 292 103 217 307 334 335 293 0.971 17.44 -4.9 89 91 86 91 511 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5653 1753.2 2.7 scans 89% 217 m/z 0.53% 0.164% 1091 1.3 152 41741 0.493% 392986 355770 1179603 4-1 19: 217 73 218 147 219 450 232 305 191 452 74 451 148 129 257 169 220 149 72 0.996 17.63 -4.8 95 94 93 95 450 24.7 2.640 -0.067 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6979 1762.8 3.4 scans 89% TIC 0.42% 0.504% 1104 0.6 225 52710 0.625% 1206934 1107510 1495440 1-1 0.984 17.70 -0.1 99 98 97 99 375 25.6 1.287 -0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1046 Shikimic acid 18.1251 1794.0 2.7 scans 89% TIC 0.52% 0.180% 1144 1.1 159 42791 0.374% 431135 412147 894871 4-1 0.991 18.13 0.0 94 93 91 97 372 19.2 1.450 0.000 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1048 Citric acid 18.2472 1803.1 2.6 scans 65% 273 m/z 1.9% 0.0746% 1156 0.9 105 11221 0.0775% 178617 172473 185435 1-0 14: 273 347 363 274 465 375 211 376 364 305 221 183 466 349 0.973 18.24 0.3 99 99 96 99 465 17.5 2.793 0.003 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1076 Pregnane?? 18.7838 1844.0 2.5 scans 98% 345 m/z 0.033% 3.40% 1207 0.7 715 672922 8148602 8047032 0-1 20: 345 73 346 255 147 347 334 191 204 256 435 419 133 372 74 148 239 257 75 537 1.000 18.86 -5.7 100 100 99 100 537 55.4 0.603 -0.074 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1050 Fructose 18.9490 1856.6 2.6 scans 97% 73 m/z 0.10% 1.35% 1222 1.0 426 211222 3253483 3163527 4-0 20: 73 103 217 307 147 308 218 277 133 74 309 117 205 189 104 364 219 89 148 75 1.000 18.98 -2.4 100 99 99 99 364 44.6 1.097 -0.031 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1052 Fructose 19.0711 1865.9 3.2 scans 94% 73 m/z 0.18% 0.984% 1234 0.7 324 122780 2.32% 2355436 2307850 5551073 2-0 20: 73 307 217 103 147 308 277 218 364 74 309 89 262 117 219 205 133 148 104 204 0.995 19.10 -2.5 99 98 98 98 364 35.7 1.212 -0.033 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1054 Galactose 19.1910 1875.1 3.5 scans 64% 73 m/z (204) 2.4% 0.0525% 1245 1.4 81 9122 14.4% 125666 125666 34454934 0-0 15: 73 319 205 160 147 320 103 321 217 206 133 74 148 189 89 0.977 19.22 -1.9 87 88 85 92 376 0.0 0.000 -0.025 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN BRA4_R~2-N1004 Galactose 19.1910 1875.1 3.5 scans 64% 73 m/z 2.4% 0.0390% 1245 1.4 81 9283 10.7% 93351 93351 25601930 0-0 15: 73 319 205 160 147 320 103 321 217 206 133 74 148 189 89 0.955 19.36 -13.0 89 89 84 92 364 0.0 0.000 -0.170 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1064 Mannose 19.3004 1883.4 3.1 scans 99% 319 m/z 0.014% 13.6% 1256 0.5 1276 1559582 32588391 32586359 1-0 20: 319 73 205 147 160 320 217 321 103 206 117 229 74 129 133 157 148 204 189 161 0.999 19.45 -11.8 100 99 99 100 319 506.3 15.791 -0.155 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1059 Glucose 19.5288 1900.9 2.7 scans 97% TIC 0.056% 2.76% 1278 0.7 596 396333 6624540 6623577 1-0 0.998 19.55 -1.8 100 99 100 100 376 23.1 0.150 -0.023 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1056 Ascorbic acid 19.8939 1930.2 2.7 scans 91% 73 m/z 0.95% 0.131% 1312 0.9 134 23370 0.204% 315439 300385 488112 5-0 20: 73 332 147 333 205 117 374 334 359 133 149 449 148 260 303 345 74 331 360 103 0.999 19.99 -7.5 98 97 93 97 449 14.7 1.215 -0.092 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6616 2075.6 2.7 scans 98% 305 m/z 0.035% 6.25% 1480 0.7 922 634236 14968038 14791552 0-1 20: 305 73 217 318 147 191 306 319 265 204 218 307 432 433 320 129 367 133 291 148 0.999 21.75 -7.3 100 100 99 100 507 74.9 0.661 -0.087 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8657 2092.7 3.3 scans 94% 319 m/z 0.34% 0.561% 1500 1.0 249 65683 1343760 1210257 1-2 20: 319 73 205 147 320 217 103 321 262 206 117 204 74 133 148 89 129 229 157 291 0.999 21.93 -5.4 98 96 97 99 656 4.1 0.027 -0.064 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1845 2120.3 2.6 scans 94% 396 m/z 0.23% 0.539% 1530 1.0 282 94829 1291848 1218187 1-1 20: 396 219 73 397 381 398 191 220 307 382 249 293 74 75 308 383 221 399 233 294 0.996 22.19 -0.2 98 97 95 97 396 124.8 19.629 -0.002 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6790 2163.5 3.2 scans 86% 204 m/z 3.0% 0.0333% 1577 1.1 62 7323 0.0884% 79857 72884 211515 2-0 11: 204 73 205 145 361 147 217 117 131 191 206 0.992 22.71 -3.0 93 93 91 93 518 0.0 0.000 -0.035 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN BRA4_R~4-N1012 Spermidine 22.8989 2182.7 3.2 scans 75% 174 m/z 14% 0.0140% 1598 1.4 40 1571 33630 33630 1-0 7: 174 200 201 86 172 146 84 0.994 22.90 -0.1 94 95 92 99 418 6.6 2.732 -0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN BRA4_R~2-N1006 Spermidine 23.5124 2238.0 2.7 scans 88% 144 m/z 6.1% 0.0309% 1656 1.1 67 3636 74009 71782 1-6 14: 144 174 116 73 86 160 142 170 157 59 130 145 175 201 0.988 23.51 0.3 95 96 96 96 490 6.5 0.948 0.003 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1028 Glycerolgalactose 24.1332 2294.7 2.7 scans 81% 204 m/z 6.7% 0.0117% 1715 1.1 41 3300 28195 27194 0-1 6: 204 73 205 217 147 337 0.971 24.01 11.2 86 87 80 86 490 0.0 0.000 0.123 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6593 2344.5 3.2 scans 94% 73 m/z 1.1% 0.198% 1765 0.6 140 20080 476091 458617 2-1 20: 73 331 147 191 217 307 421 103 319 205 262 305 422 259 332 204 333 320 376 308 0.999 24.65 0.9 96 95 94 96 466 9.1 0.420 0.009 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4480 2520.1 2.9 scans 83% 73 m/z 7.1% 0.0186% 1935 1.1 47 3149 0.0570% 44611 38436 136384 3-0 7: 73 217 204 218 129 147 740 0.990 26.52 -7.5 84 85 76 85 740 7.6 2.589 -0.073 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5353 2529.2 3.0 scans 88% TIC 4.1% 0.0520% 1943 1.3 78 5430 0.0672% 124612 117097 160790 2-3 0.974 26.57 -3.9 94 94 82 94 512 29.7 14.670 -0.038 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN WTF2-N1032 Sucrose 26.6542 2541.4 2.7 scans 88% 361 m/z 7.4% 0.0262% 1955 1.1 58 3015 0.0605% 62850 53527 144759 3-4 14: 361 73 273 217 437 362 129 438 218 363 147 103 149 439 1.000 26.87 -22.3 83 83 81 84 451 7.6 1.686 -0.216 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1020 Sucrose 27.4076 2619.9 8.3 scans 9.8% 437 m/z (361) 0.040% 4.54% 2026 1.4 471 552088 10863578 10817275 1-0 16: 437 438 439 452 454 59 449 463 114 355 379 481 367 469 323 483 0.788 27.46 -5.7 94 97 95 97 437 301.2 41.127 -0.053 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1010 Sucrose 27.4181 2621.0 8.2 scans 98% 362 m/z 0.0070% 47.7% 2027 0.2 1518 3184517 114237899 113790615 1-0 17: 362 363 319 320 332 450 306 177 233 99 335 277 261 431 392 162 350 0.998 27.58 -17.2 100 99 98 99 437 296.8 3.852 -0.161 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1014 Sucrose 27.4265 2621.9 8.3 scans 90% TIC 0.0070% 38.7% 2028 0.5 1458 3170137 44.8% 92599380 90611805 107193127 1-0 1.000 27.49 -6.8 100 99 99 100 437 296.6 4.171 -0.063 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1008 Sucrose 27.4476 2624.2 8.0 scans 100% 73 m/z 0.0072% 45.3% 2030 0.2 1551 3108281 108524927 106913157 1-0 20: 73 74 81 69 55 59 105 307 150 76 54 58 88 70 463 349 167 97 239 248 1.000 27.59 -15.3 100 99 97 99 437 286.1 3.426 -0.143 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1012 Sucrose 27.4476 2624.2 8.0 scans 36% 73 m/z (361) 0.014% 16.9% 2030 0.2 926 1573493 40504955 39903392 1-0 20: 73 74 81 69 55 59 105 307 150 76 54 58 88 70 463 349 167 97 239 248 0.911 27.50 -5.7 82 86 91 93 437 16.7 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1016 Sucrose 27.4518 2624.6 8.2 scans 55% 361 m/z (292) 0.014% 6.91% 2031 2.1 1143 1573493 26.8% 16548722 16548722 64124460 0-0 20: 361 217 147 271 103 169 218 243 129 319 191 219 205 331 204 189 272 230 320 117 0.932 27.48 -2.7 85 84 92 94 437 16.5 0.000 -0.025 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1018 Sucrose 27.4518 2624.6 8.2 scans 54% 361 m/z (73) 0.0073% 6.78% 2031 2.1 1132 3055147 26.3% 16230543 16230543 62928108 0-0 20: 361 217 147 271 103 169 218 243 129 319 191 219 205 331 204 189 272 230 320 117 0.910 27.47 -1.9 92 94 62 93 437 280.3 6.190 -0.018 G:\GCMS data\Nicotiana Panel polar\BNWA_REP1.FIN LQC1-N1006 Trehalose 28.3704 2723.9 4.0 scans 63% 361 m/z 11% 0.00769% 2118 0.9 39 2000 0.0427% 18408 18408 102168 0-0 6: 361 191 217 362 147 73 0.980 28.47 -11.0 83 83 67 88 565 0.0 0.000 -0.098 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN EXBLK5S-N1006 Contamination 6.3406 1046.4 3.2 scans 71% 207 m/z 0.81% 0.183% 24 2.0 118 27858 493051 275279 10-7 18: 207 73 295 208 209 191 296 297 193 279 74 192 189 133 177 247 263 280 0.971 6.63 -16.9 97 96 92 98 295 36.1 9.372 -0.284 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.8109 1074.3 10.5 scans 53% 117 m/z 4.5% 0.0390% 69 0.4 55 4961 0.0749% 105071 98482 201766 0-1 4: 117 147 191 148 0.958 6.82 -0.6 94 93 85 99 295 2.4 0.000 -0.010 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1194 Alanine 7.3959 1109.0 9.0 scans 80% 116 m/z 1.1% 0.164% 124 0.8 87 19904 0.193% 441910 433774 519904 0-5 2: 116 117 0.996 7.40 -0.5 96 95 95 96 283 0.0 0.000 -0.008 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN A-KETO~2-N1006 Contamination?? 7.9105 1139.5 2.5 scans 62% 156 m/z 5.5% 0.0124% 173 1.2 45 4091 33556 33053 2-0 4: 156 75 55 157 0.970 7.96 -2.7 96 96 90 97 156 25.2 31.137 -0.047 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1192 Contamination 7.9957 1144.6 2.6 scans 68% 147 m/z 4.7% 0.0224% 181 1.3 60 4826 0.0483% 60389 56620 130111 3-0 12: 147 73 133 235 220 146 148 72 103 86 59 160 0.900 7.99 0.4 93 93 88 93 235 12.8 4.516 0.007 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN WTF2-N1026 Cadaverine NC 8.1861 1155.8 3.3 scans 70% 174 m/z 3.1% 0.0310% 200 0.9 56 7172 0.0515% 83758 63156 138731 0-8 10: 174 86 175 73 216 142 130 176 160 100 0.970 7.74 26.6 96 98 91 98 216 12.6 5.003 0.450 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1188 Contamination 8.3724 1166.9 4.0 scans 68% 281 m/z 2.9% 0.0382% 217 1.8 64 7718 0.0484% 103015 102380 130380 1-1 12: 281 147 282 369 283 265 266 191 249 371 207 148 0.893 8.41 -2.5 99 99 96 99 369 20.1 9.962 -0.043 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1190 Contamination 8.4134 1169.3 3.2 scans 53% 73 m/z 5.3% 0.0248% 221 1.2 52 4243 0.0478% 66924 59983 128764 0-5 9: 73 140 198 211 77 69 70 186 126 0.988 8.48 -4.2 87 87 83 88 309 4.9 0.872 -0.071 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1184 Valine 9.1710 1214.0 3.5 scans 80% TIC 1.7% 0.0472% 293 0.8 70 12635 0.117% 127201 110781 315175 2-5 0.994 9.19 -1.0 97 97 93 97 218 21.9 9.770 -0.017 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1180 Benzoic acid 9.7392 1247.3 2.9 scans 76% 179 m/z 2.8% 0.0373% 347 1.0 70 8058 100740 92243 2-4 10: 179 105 135 77 180 194 136 106 51 181 0.932 9.76 -1.2 91 88 86 98 194 10.0 2.044 -0.020 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1178 Ethanolamine 9.9938 1262.2 4.0 scans 82% TIC 1.1% 0.0687% 371 1.2 93 20164 0.462% 185265 185265 1244536 0-0 0.992 10.03 -2.3 99 98 96 98 262 10.9 1.392 -0.040 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN VEN77_S6-N1002 Glycerol 10.0622 1266.2 2.3 scans 55% 299 m/z 0.51% 0.0909% 378 1.1 124 44506 244944 243826 0-2 14: 299 300 314 301 211 283 193 302 316 181 212 137 284 121 0.966 10.09 -1.8 96 95 74 97 299 83.0 44.677 -0.032 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LACTIC~1-N1034 Glycerol 10.0948 1268.1 5.5 scans 94% TIC 0.54% 0.268% 381 1.1 177 41862 0.466% 724461 692246 1255311 0-2 0.998 10.11 -0.9 98 96 95 99 293 11.1 0.393 -0.015 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2306 1276.0 2.5 scans 84% 73 m/z 1.6% 0.0376% 394 1.0 78 13941 101551 94822 1-2 11: 73 198 211 77 70 199 74 289 239 212 381 0.994 10.24 -0.6 95 94 93 94 381 8.6 1.223 -0.009 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1176 Isoleucine 10.4263 1287.5 3.0 scans 62% 158 m/z 3.7% 0.0243% 413 0.9 55 6139 0.0251% 65506 60956 67614 1-1 5: 158 159 218 117 219 0.969 10.46 -1.9 87 84 81 92 260 3.4 0.390 -0.033 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1012 Proline 10.5147 1292.7 2.9 scans 92% TIC 0.18% 0.276% 421 0.6 199 122947 1.59% 744307 744307 4283143 0-0 0.994 10.53 -1.1 100 99 99 100 216 37.4 3.532 -0.018 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5883 1297.0 2.5 scans 91% 147 m/z 0.30% 0.186% 428 0.9 179 74744 1.06% 501649 501649 2855429 0-0 20: 147 73 245 148 75 149 83 133 246 74 115 143 170 84 59 215 58 126 54 242 0.981 10.60 -0.8 99 98 99 99 245 42.7 5.685 -0.014 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1170 Glycine 10.6525 1300.8 3.1 scans 79% TIC 0.97% 0.0587% 434 1.2 105 23252 1.41% 158316 158316 3798259 0-0 0.990 10.69 -2.0 98 97 94 98 276 16.5 2.462 -0.035 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7272 1305.2 3.0 scans 88% TIC 0.095% 0.884% 441 1.7 320 239059 1.46% 2382212 2272552 3932949 2-1 0.952 10.76 -1.9 99 98 97 99 251 73.3 5.256 -0.031 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN EXBLK5S-N1004 d4-Succinic acid 10.7483 1306.5 2.7 scans 36% 200 m/z (147 247) 2.0% 0.117% 443 1.2 129 11007 317318 298318 1-1 19: 200 110 208 297 69 228 70 249 298 201 130 184 232 209 229 241 155 114 202 0.822 10.76 -0.8 84 89 53 89 251 4.9 0.000 -0.014 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1168 Glyceric acid 11.0113 1322.4 2.4 scans 94% 73 m/z 0.57% 0.177% 468 1.2 172 39295 477974 456538 0-5 20: 73 147 292 189 133 103 293 205 190 148 102 117 294 307 74 75 191 59 149 101 0.993 11.05 -2.5 100 99 98 99 292 51.8 9.070 -0.043 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0723 1326.0 2.5 scans 76% TIC 6.5% 0.0197% 474 0.8 58 3487 0.187% 53325 53325 503741 0-0 0.958 11.06 0.5 93 93 89 96 285 17.5 9.039 0.009 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1018 Uracil 11.1333 1329.7 2.6 scans 60% 241 m/z 9.4% 0.00983% 480 1.3 38 2401 26479 26106 0-2 6: 241 99 256 255 242 113 0.929 11.15 -0.9 95 95 94 99 256 13.5 12.567 -0.015 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1162 Fumaric acid 11.3543 1343.0 2.5 scans 95% 245 m/z 0.32% 0.225% 501 1.1 186 70625 608588 582286 3-1 20: 245 147 73 246 75 143 247 83 148 133 149 240 115 84 155 74 53 157 59 61 0.997 11.39 -2.3 100 99 99 99 245 104.5 31.527 -0.039 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4543 1349.0 3.0 scans 66% 57 m/z 1.4% 0.0665% 510 1.1 93 16026 0.0868% 179396 160785 233822 3-0 16: 57 97 145 115 127 56 55 69 59 129 109 128 71 83 113 98 0.844 11.45 0.5 89 86 92 97 145 26.2 7.909 0.008 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4648 1349.7 3.0 scans 32% 84 m/z (57) 2.1% 0.0312% 511 1.2 65 10752 0.0591% 84109 79862 159204 2-0 13: 84 161 162 133 119 92 82 78 65 118 51 91 63 0.915 10.96 30.7 85 91 87 93 161 18.1 7.682 0.509 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1160 Serine 11.5058 1352.1 2.5 scans 96% TIC 0.14% 0.687% 515 0.9 329 153383 0.761% 1853166 1756369 2049983 0-1 0.996 11.56 -3.1 100 99 98 99 306 33.8 1.057 -0.051 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1022 Thymine 11.5900 1357.2 2.6 scans 65% 255 m/z 4.7% 0.00970% 523 1.2 39 4783 26155 26155 0-1 3: 255 270 256 0.958 11.60 -0.6 98 98 87 98 270 14.2 13.401 -0.009 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN BRA4_R~2-N1008 Thymine 11.5911 1357.3 3.0 scans 68% TIC 4.8% 0.0103% 523 2.4 40 4714 0.769% 27864 27864 2071533 0-0 0.959 11.58 0.5 98 98 96 100 270 14.1 12.525 0.007 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1024 Threonine 11.9151 1376.8 2.5 scans 95% 73 m/z 0.38% 0.295% 554 1.0 222 59699 0.314% 794769 777390 845853 1-1 20: 73 218 219 117 291 292 101 147 220 57 293 100 75 74 203 128 320 202 133 129 0.996 11.92 -0.3 100 99 99 100 320 21.1 0.905 -0.006 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1148 Glutamine?? 13.2840 1461.9 2.7 scans 87% 155 m/z 0.86% 0.0824% 684 1.2 111 26339 0.138% 222232 209875 371745 2-2 15: 155 73 147 156 229 139 59 157 74 100 148 131 230 84 257 0.981 13.35 -4.0 95 94 95 97 257 8.6 0.593 -0.063 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1146 Malic acid 13.5292 1477.3 2.6 scans 98% 73 m/z 0.070% 1.43% 707 0.9 465 322813 3867098 3819242 0-1 20: 73 147 233 245 133 75 148 189 190 74 335 175 55 191 149 101 234 217 59 265 1.000 13.62 -5.5 100 99 98 99 350 12.5 0.073 -0.088 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1142 Erythritol/Threitol 13.7123 1488.9 2.6 scans 76% 217 m/z (115) 4.6% 0.0245% 725 1.2 59 4868 0.571% 66095 66002 1538160 1-0 8: 217 205 147 103 204 117 307 189 0.959 13.89 -11.2 90 92 87 93 320 5.0 0.706 -0.178 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1144 Contamination Parabanica acid 13.7396 1490.6 2.8 scans 43% 115 m/z 12% 0.00763% 727 1.1 33 1791 20569 20569 0-1 4: 115 100 243 128 0.924 13.81 -4.2 83 85 62 85 243 15.6 22.683 -0.066 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN METHIO~1-N1066 Methionine 3TMS STD 13.9985 1507.3 2.6 scans 24% 176 m/z (156) 3.7% 0.0191% 752 1.1 54 5991 51571 51040 0-1 6: 176 128 177 250 178 293 0.507 14.06 -4.1 86 93 61 89 293 8.5 2.454 -0.062 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1140 Aspartic acid 14.0174 1508.5 2.7 scans 51% 73 m/z (156) 0.75% 0.144% 754 1.0 144 30101 388221 382232 0-2 20: 73 232 233 218 100 75 74 202 234 188 306 59 216 149 117 219 292 101 204 334 0.895 14.09 -4.6 93 96 89 96 349 7.4 0.260 -0.070 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0237 1508.9 2.8 scans 33% 156 m/z (73) 0.47% 0.101% 754 1.0 117 47975 273477 265071 1-1 19: 156 157 258 230 158 148 231 140 58 70 259 55 57 84 141 86 85 214 67 0.789 14.11 -5.8 93 96 71 96 273 6.8 0.340 -0.086 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0237 1508.9 2.8 scans 64% 156 m/z 0.47% 0.192% 754 1.0 162 47486 518300 502368 1-1 19: 156 157 258 230 158 148 231 140 58 70 259 55 57 84 141 86 85 214 67 0.789 14.03 -0.4 93 90 95 98 258 28.5 3.090 -0.006 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1032 GABA 14.1837 1519.5 2.7 scans 93% TIC 0.42% 0.216% 770 1.1 178 53383 0.325% 582887 568549 875485 0-3 0.990 14.19 -0.3 100 99 97 99 304 54.3 9.306 -0.004 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1134 GABA 14.1847 1519.6 2.7 scans 93% 174 m/z 0.42% 0.216% 770 1.0 178 53512 0.259% 583287 570578 697694 0-3 20: 174 73 304 147 175 305 86 75 176 216 246 143 59 100 130 172 133 148 74 131 0.994 14.24 -3.8 99 98 97 98 304 54.4 9.378 -0.057 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3278 1529.1 2.7 scans 38% 239 m/z 6.9% 0.0125% 783 1.1 43 3257 33788 33788 0-1 6: 239 174 342 343 240 344 0.830 14.37 -3.1 82 80 37 91 342 16.5 14.642 -0.046 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3594 1531.2 2.4 scans 64% 292 m/z (239) 6.1% 0.0151% 786 1.0 50 3668 40732 40732 0-0 4: 292 220 293 205 0.957 14.62 -17.4 85 87 79 88 409 3.8 0.579 -0.262 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6087 1547.7 2.5 scans 97% 73 m/z 0.17% 0.604% 810 1.0 315 133449 1629015 1561928 1-1 20: 73 292 147 205 220 293 217 117 103 221 294 148 133 74 319 149 75 291 102 206 1.000 14.69 -5.5 100 99 98 99 409 23.3 0.545 -0.083 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7371 1556.2 2.8 scans 72% 174 m/z 0.32% 0.231% 822 1.0 183 69164 623037 567036 1-1 20: 174 73 175 86 176 250 100 59 65 130 162 117 251 87 158 173 252 101 131 144 0.963 14.16 37.9 91 93 91 99 250 33.5 3.336 0.572 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3790 1598.8 2.5 scans 55% 217 m/z 1.7% 0.0404% 883 1.5 81 12951 0.0523% 109022 109022 140886 0-0 6: 217 218 219 284 59 129 0.698 15.44 -4.2 84 86 77 88 393 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1036 Glutamic acic 15.5031 1607.4 2.4 scans 48% 246 m/z 7.8% 0.00590% 895 1.0 32 2902 15910 15910 0-0 3: 246 247 128 0.843 15.50 -0.0 91 92 68 94 363 0.0 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1118 Phenylalanine 15.6010 1614.2 2.7 scans 75% 218 m/z (267) 3.3% 0.0327% 904 1.3 70 6748 88274 88274 0-1 6: 218 192 219 100 220 266 0.963 15.66 -4.0 90 91 86 96 294 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1038 Xylose 15.8893 1634.2 2.9 scans 65% 307 m/z 5.3% 0.0203% 932 1.4 53 4272 0.149% 54739 54107 401376 0-1 6: 307 103 217 218 189 308 0.962 15.89 -0.0 91 91 89 93 307 16.9 10.045 -0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1040 Xylose 16.0050 1642.2 2.6 scans 92% 73 m/z 0.89% 0.119% 943 1.0 137 25373 322435 322305 1-0 20: 73 103 307 217 147 308 189 277 218 160 133 204 74 233 205 104 219 191 129 105 0.996 16.00 0.1 98 97 96 98 307 38.1 7.698 0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1042 Ribose 16.1029 1649.0 3.1 scans 78% 73 m/z 2.5% 0.0411% 952 0.6 74 8891 0.224% 110723 108991 603411 1-1 14: 73 103 307 217 308 189 147 309 160 277 218 72 89 105 0.978 16.10 0.0 96 96 93 97 307 20.4 7.560 -0.000 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.2260 1657.6 2.9 scans 52% 290 m/z 3.5% 0.0135% 964 1.6 40 6486 36397 35081 1-1 5: 290 291 392 292 158 0.873 16.28 -3.5 92 92 61 93 392 8.2 4.126 -0.050 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6121 1684.4 2.6 scans 89% 73 m/z 1.3% 0.108% 1000 1.5 124 17457 0.146% 291211 291211 393295 0-0 20: 73 307 319 147 217 103 320 308 321 306 205 129 218 309 277 148 117 74 157 133 0.994 16.68 -4.4 99 99 97 99 497 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9257 1706.5 4.9 scans 57% TIC 6.3% 0.0173% 1030 2.5 56 3601 0.380% 46829 46829 1023644 0-0 0.956 16.99 -4.6 90 91 84 91 422 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9972 1711.7 2.8 scans 84% 73 m/z 1.3% 0.0963% 1037 1.4 118 16461 0.353% 259414 259414 950912 0-0 20: 73 217 319 147 205 103 307 204 218 129 189 277 320 306 321 308 206 148 243 74 0.984 17.06 -4.8 94 94 91 94 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1044 Putrescine 17.1898 1725.8 4.8 scans 87% TIC 0.48% 0.133% 1055 1.5 136 47236 0.191% 359093 359093 514516 0-0 0.998 17.19 0.2 100 99 97 99 376 10.6 0.614 0.002 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3771 1739.4 2.5 scans 60% 292 m/z (345) 3.6% 0.0319% 1073 1.0 73 6252 0.0331% 86047 86047 89165 0-0 7: 292 333 293 217 307 335 308 0.960 17.44 -4.9 91 94 89 93 511 5.4 0.555 -0.066 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5654 1753.2 2.6 scans 89% 217 m/z 0.41% 0.172% 1091 1.2 165 55142 0.512% 463471 463471 1379226 0-0 18: 217 73 218 147 219 450 191 451 305 232 129 257 148 149 204 215 244 220 0.984 17.63 -4.8 95 94 92 95 450 26.0 2.497 -0.067 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6949 1762.6 3.9 scans 84% TIC 0.37% 0.483% 1103 0.7 224 61327 0.695% 1303653 1220196 1872192 1-0 0.927 17.70 -0.3 98 97 97 99 375 23.7 1.126 -0.004 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1046 Shikimic acid 18.1252 1794.0 2.8 scans 89% TIC 0.39% 0.198% 1144 1.1 174 57591 0.396% 535350 522262 1066745 3-2 0.992 18.13 0.0 94 93 93 96 372 20.5 1.382 0.000 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1048 Citric acid 18.2452 1802.9 2.6 scans 45% 273 m/z 2.9% 0.0361% 1156 1.1 73 7626 97491 95283 1-0 14: 273 363 375 274 347 465 211 275 466 364 183 376 349 67 0.815 18.24 0.1 98 99 72 98 465 13.2 3.240 0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1076 Pregnane?? 18.7860 1844.2 2.3 scans 98% 345 m/z 0.024% 3.86% 1207 0.8 804 941334 10403607 10403607 0-0 20: 345 73 255 346 147 347 204 191 256 334 435 419 133 372 148 257 239 74 348 75 0.999 18.86 -5.5 100 100 99 100 537 63.1 0.618 -0.072 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1074 Adenine 18.8796 1851.3 3.0 scans 19% 264 m/z 6.2% 0.00814% 1216 1.2 33 3638 0.0166% 21928 20976 44717 1-0 4: 264 265 279 266 0.918 18.94 -4.6 86 84 75 93 415 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1050 Fructose 18.9512 1856.8 2.7 scans 97% 73 m/z 0.083% 1.64% 1223 0.9 479 273414 4437434 4239753 4-0 20: 73 307 103 217 147 308 218 133 277 117 74 309 364 189 205 104 219 89 148 75 1.000 18.98 -2.2 100 99 99 99 364 51.2 1.146 -0.029 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1052 Fructose 19.0722 1866.0 3.3 scans 94% 73 m/z 0.14% 1.20% 1234 0.7 361 154759 2.81% 3241207 3172012 7569581 1-1 20: 73 217 307 103 147 308 277 218 364 309 89 262 74 117 189 133 148 104 219 205 0.989 19.10 -2.4 99 99 98 98 364 40.2 1.238 -0.032 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN BRA4_R~2-N1004 Galactose 19.1321 1870.6 3.2 scans 53% 319 m/z 3.7% 0.0313% 1240 1.1 73 6064 0.605% 84343 84343 1629750 0-0 9: 319 320 205 160 321 229 206 318 217 0.980 19.36 -17.5 80 77 75 90 364 2.3 0.000 -0.229 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1054 Galactose 19.1942 1875.3 3.2 scans 67% 319 m/z 2.0% 0.0471% 1246 1.2 90 11214 12.5% 126927 126927 33672512 0-0 10: 319 205 320 217 160 147 117 148 229 161 0.988 19.22 -1.7 91 90 89 94 376 3.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1068 Galactopyranose 19.2184 1877.1 3.3 scans 46% 204 m/z (319) 3.4% 0.0235% 1248 0.6 53 6589 0.460% 63513 63513 1239148 0-0 2: 204 191 0.958 19.32 -7.4 81 83 78 84 435 3.1 0.337 -0.097 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1064 Mannose 19.3015 1883.5 3.3 scans 98% 319 m/z 0.013% 13.1% 1256 0.5 1265 1692004 35459782 35248143 1-0 20: 319 73 205 147 160 320 217 321 103 206 117 229 157 148 133 74 129 189 204 207 0.999 19.45 -11.7 100 98 99 100 319 511.6 16.409 -0.153 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1059 Glucose 19.5309 1901.0 2.7 scans 97% TIC 0.053% 2.71% 1278 0.6 613 427854 7321589 7313748 1-0 0.999 19.55 -1.7 100 99 100 100 376 24.5 0.160 -0.021 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1056 Ascorbic acid 19.8929 1930.1 2.7 scans 87% TIC 1.3% 0.0820% 1312 0.7 109 16316 0.218% 220896 213376 587249 2-0 0.993 19.99 -7.6 96 96 92 96 449 12.1 1.232 -0.093 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6627 2075.7 2.8 scans 98% 305 m/z 0.030% 6.48% 1480 0.7 949 734561 17464858 17196875 0-1 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 129 367 133 148 291 1.000 21.75 -7.2 100 99 99 100 507 77.7 0.673 -0.086 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8637 2092.6 3.4 scans 96% 319 m/z 0.23% 0.814% 1499 1.0 300 97223 2194720 2117226 1-1 20: 319 73 205 147 320 217 103 321 262 206 117 204 74 229 157 89 148 129 291 218 0.999 21.93 -5.5 97 95 97 99 656 6.1 0.041 -0.066 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1825 2120.1 2.8 scans 92% TIC 0.34% 0.350% 1530 1.1 225 66313 0.393% 943923 943923 1058664 0-0 0.988 22.19 -0.4 98 98 95 98 396 101.3 20.230 -0.004 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6770 2163.3 3.2 scans 88% 204 m/z 2.1% 0.0450% 1577 1.3 73 10468 0.0792% 121469 112552 213349 3-0 12: 204 73 205 145 249 147 117 131 191 74 129 103 0.989 22.71 -3.2 96 96 94 95 518 0.0 0.000 -0.037 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN BRA4_R~4-N1012 Spermidine 22.8969 2182.5 3.5 scans 81% 174 m/z 9.9% 0.0221% 1598 1.8 49 2288 0.0227% 59787 59787 61149 0-0 10: 174 201 200 146 172 418 86 142 100 202 0.988 22.90 -0.3 94 93 93 99 418 8.2 2.838 -0.003 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN BRA4_R~2-N1006 Spermidine 23.5114 2237.9 2.7 scans 90% 144 m/z 3.4% 0.0508% 1656 1.0 89 6598 136988 134413 1-1 20: 144 174 73 116 156 160 86 172 170 201 100 142 175 490 146 145 130 115 154 128 0.999 23.51 0.2 97 96 96 99 490 8.7 0.955 0.002 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1322 2294.6 2.6 scans 80% 204 m/z 4.8% 0.0156% 1715 1.0 49 4721 0.0232% 42182 38887 62496 1-2 7: 204 217 103 337 205 147 129 0.954 24.01 11.1 88 89 84 89 490 0.0 0.000 0.122 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6562 2344.2 3.1 scans 93% 73 m/z 0.81% 0.265% 1765 0.5 167 27937 715302 656983 2-1 20: 73 331 147 191 217 421 307 103 262 205 319 305 259 422 218 204 206 74 308 423 0.998 24.65 0.6 98 97 96 98 466 10.6 0.404 0.006 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5354 2529.2 3.2 scans 88% TIC 2.8% 0.0727% 1943 1.4 92 8072 0.0857% 195930 186470 230859 2-2 0.969 26.57 -3.9 96 96 88 96 512 35.3 14.656 -0.038 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN WTF2-N1032 Sucrose 26.6522 2541.2 2.7 scans 86% 361 m/z 8.0% 0.0243% 1955 1.1 56 2818 0.0673% 65567 54361 181293 2-6 12: 361 437 217 73 273 362 363 129 147 438 218 117 0.994 26.87 -22.5 84 85 82 86 451 7.3 1.709 -0.218 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1020 Sucrose 27.4087 2620.0 9.3 scans 10% 437 m/z (361) 0.041% 4.51% 2026 1.4 457 542728 12156857 12095163 1-0 11: 437 451 438 452 453 440 464 304 467 377 343 0.733 27.46 -5.6 94 96 94 97 437 289.8 40.240 -0.052 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1010 Sucrose 27.4172 2620.9 9.3 scans 99% 361 m/z 0.0071% 47.1% 2027 1.2 1467 3161793 127080274 126326440 1-0 20: 361 363 320 272 331 189 332 345 306 347 317 454 159 135 241 307 175 373 158 264 0.999 27.58 -17.3 100 99 98 99 437 284.3 3.783 -0.162 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN TAB_REP6-N1070 Sucrose 27.4172 2620.9 9.3 scans 75% 361 m/z (362) 0.0083% 36.2% 2027 1.2 1282 2724238 97608711 97029700 1-0 20: 361 363 320 272 331 189 332 345 306 347 317 454 159 135 241 307 175 373 158 264 0.995 27.41 0.8 83 83 70 87 451 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1018 Sucrose 27.4203 2621.3 9.3 scans 51% 362 m/z (73) 0.0071% 24.6% 2027 1.0 1056 3171972 66323695 65861963 1-0 17: 362 364 272 331 189 321 345 259 454 241 175 322 289 125 277 99 77 0.877 27.47 -5.2 91 95 58 93 437 289.8 7.594 -0.050 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1016 Sucrose 27.4624 2625.8 9.1 scans 49% 73 m/z (177) 0.013% 22.2% 2032 0.1 1028 1657120 59809792 58893889 1-0 20: 73 217 147 271 103 129 169 218 243 319 191 74 219 204 133 230 117 272 189 149 0.977 27.48 -1.5 87 90 93 92 437 15.9 0.000 -0.015 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN LQC1-N1008 Sucrose 27.4624 2625.8 9.1 scans 99% 73 m/z 0.0078% 44.6% 2032 0.1 1465 2906079 120153756 118313770 1-0 20: 73 217 147 271 103 129 169 218 243 319 191 74 219 204 133 230 117 272 189 149 1.000 27.59 -13.7 100 99 97 99 437 264.8 3.287 -0.129 G:\GCMS data\Nicotiana Panel polar\BNWA_REP2.FIN GUA35_L1-N1020 Galactinol 30.6537 2985.2 3.1 scans 90% 204 m/z 2.0% 0.0459% 2335 1.2 76 10964 0.0484% 123849 108608 130380 8-4 16: 204 73 205 217 191 147 361 218 206 305 318 433 230 129 148 149 0.990 30.55 12.8 82 82 88 82 641 0.0 0.000 0.109 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN EXBLK5S-N1006 Contamination 6.3563 1047.4 3.3 scans 69% 207 m/z 0.84% 0.131% 26 1.4 119 28408 454254 306517 10-7 15: 207 73 295 208 209 191 297 189 279 193 133 177 74 247 298 0.953 6.63 -15.9 98 98 94 98 295 37.9 10.178 -0.269 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.8309 1075.5 >10 scans 43% 147 m/z 5.0% 0.0316% 71 0.3 51 4767 0.0983% 109468 108302 340070 0-3 5: 147 117 73 191 190 0.931 6.82 0.6 95 95 89 97 295 2.5 0.000 0.010 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1194 Alanine 7.4043 1109.5 9.9 scans 83% 116 m/z 0.75% 0.227% 125 0.8 115 31965 0.289% 786615 780154 999800 0-4 3: 116 147 190 0.988 7.40 0.0 97 97 95 97 283 3.6 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN A-KETO~2-N1006 Contamination?? 7.9252 1140.4 2.6 scans 68% 156 m/z 3.0% 0.0203% 175 1.1 66 7919 0.0214% 70431 64256 74034 1-4 6: 156 75 55 157 54 61 0.972 7.96 -1.8 98 98 93 98 156 36.0 29.643 -0.032 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1192 Contamination 8.0093 1145.4 2.6 scans 71% 73 m/z 3.5% 0.0257% 183 1.3 74 6846 0.0559% 89190 83580 193387 2-0 16: 73 147 152 220 133 235 146 59 72 148 89 160 100 103 86 74 0.985 7.99 1.2 95 94 90 95 235 14.4 3.721 0.020 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN WTF2-N1026 Cadaverine NC 8.1913 1156.2 3.0 scans 73% 174 m/z 1.9% 0.0373% 200 1.2 77 12443 0.0622% 129118 102654 215182 0-6 11: 174 73 216 175 142 86 100 176 130 160 59 0.965 7.74 27.0 95 96 92 99 216 18.5 5.764 0.455 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1188 Contamination 8.3797 1167.3 4.3 scans 65% 281 m/z 2.8% 0.0408% 218 1.6 68 8518 0.0419% 141174 129391 144954 0-7 7: 281 369 282 371 370 283 191 0.990 8.41 -2.1 99 99 96 99 369 21.6 10.189 -0.035 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1190 Contamination 8.4365 1170.7 >5 scans 71% TIC 3.2% 0.0247% 223 1.8 67 7350 0.0991% 85505 85505 342838 0-0 0.984 8.48 -2.8 83 82 80 85 309 5.5 0.686 -0.047 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1184 Valine 9.1794 1214.5 3.7 scans 77% 144 m/z 1.4% 0.0480% 294 0.6 83 16955 0.0704% 166138 145522 243550 5-7 9: 144 73 218 145 147 219 146 100 74 0.978 9.19 -0.5 98 98 92 98 218 25.2 9.222 -0.009 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1180 Benzoic acid 9.7455 1247.7 3.0 scans 74% 179 m/z 3.8% 0.0237% 348 0.8 63 6237 82030 77107 2-3 8: 179 105 135 77 180 194 136 202 0.919 9.76 -0.8 87 82 81 97 194 9.8 2.400 -0.014 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1178 Ethanolamine 9.9980 1262.4 4.1 scans 79% 174 m/z 1.5% 0.0514% 372 1.0 81 15338 0.198% 178104 173813 684984 5-0 9: 174 73 175 100 86 176 130 59 262 0.979 10.03 -2.1 96 95 92 97 262 9.1 1.273 -0.036 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN VEN77_S6-N1002 Glycerol 10.0737 1266.9 2.7 scans 85% TIC 0.093% 0.697% 379 1.6 352 256940 0.731% 2414568 2263516 2528905 2-2 0.957 10.09 -1.1 100 99 96 100 299 205.3 33.967 -0.020 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LACTIC~1-N1034 Glycerol 10.1011 1268.5 3.8 scans 75% 205 m/z (299) 0.54% 0.271% 381 0.7 191 44322 0.290% 940528 890191 1003259 1-1 13: 205 147 117 103 218 206 204 148 175 129 217 219 220 0.995 10.11 -0.5 94 94 95 100 293 12.4 0.420 -0.009 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2368 1276.4 2.7 scans 81% 73 m/z 1.3% 0.0407% 394 1.0 90 17679 141038 139539 0-1 12: 73 198 77 211 74 70 199 239 381 212 200 72 0.971 10.24 -0.2 96 96 93 96 381 10.9 1.475 -0.003 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1176 Isoleucine 10.4315 1287.8 3.0 scans 63% 158 m/z 2.1% 0.0264% 413 1.0 71 11283 0.0410% 91570 90929 141840 0-1 9: 158 218 159 117 232 160 219 205 100 0.962 10.46 -1.6 93 92 86 96 260 5.5 0.601 -0.028 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1012 Proline 10.5209 1293.0 3.0 scans 93% 142 m/z (180) 0.081% 0.668% 421 0.8 320 296381 1.83% 2311238 1970050 6330912 7-0 20: 142 73 143 216 147 144 74 72 59 75 66 217 100 244 218 133 148 140 131 170 0.994 10.53 -0.8 98 99 99 100 216 58.6 3.367 -0.012 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1014 Maleic acid 10.5946 1297.3 2.6 scans 93% 147 m/z 0.14% 0.365% 428 0.9 275 162080 1.61% 1263107 1263107 5569819 0-0 20: 147 73 245 148 75 149 83 246 74 133 115 143 59 84 170 58 126 247 72 66 0.992 10.60 -0.5 100 98 99 99 245 62.9 5.242 -0.007 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1170 Glycine 10.6556 1300.9 3.4 scans 64% TIC 1.3% 0.0257% 434 1.1 92 18024 1.60% 89092 89092 5535224 0-0 0.985 10.69 -1.9 98 97 93 97 276 14.7 2.528 -0.031 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7356 1305.8 3.0 scans 90% TIC 0.060% 1.11% 442 1.4 428 400672 2.15% 3864049 3646173 7437957 1-1 0.960 10.76 -1.3 100 98 98 100 251 95.8 5.020 -0.022 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN EXBLK5S-N1004 d4-Succinic acid 10.7545 1306.9 2.8 scans 30% 200 m/z (147) 1.6% 0.104% 444 1.1 139 14582 362471 359976 1-0 20: 200 110 208 297 69 228 249 70 201 130 298 184 209 232 229 108 155 198 83 142 0.732 10.76 -0.4 83 91 52 89 251 4.8 0.000 -0.007 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1168 Glyceric acid 11.0144 1322.5 2.5 scans 94% TIC 0.43% 0.194% 468 1.1 208 55505 0.220% 671174 663740 761093 1-2 0.994 11.05 -2.4 100 99 99 99 292 61.8 8.812 -0.040 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0754 1326.2 2.5 scans 54% 184 m/z 8.9% 0.00937% 474 0.9 45 2692 32419 32419 0-0 5: 184 285 134 174 286 0.938 11.06 0.7 89 90 74 90 285 14.5 10.226 0.012 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1018 Uracil 11.1354 1329.8 2.5 scans 69% 241 m/z 5.1% 0.0138% 480 1.1 56 4637 0.0139% 47866 47866 48087 0-0 8: 241 256 255 99 242 113 126 257 0.966 11.15 -0.8 95 94 86 99 256 18.2 10.684 -0.013 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1162 Fumaric acid 11.3595 1343.3 2.4 scans 96% 245 m/z 0.12% 0.457% 501 1.1 320 193234 1582785 1508663 1-1 20: 245 147 73 246 75 143 247 83 148 133 149 115 155 53 74 84 157 59 61 127 1.000 11.39 -2.0 100 99 99 100 245 178.0 30.883 -0.033 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4584 1349.3 3.2 scans 61% 57 m/z 1.3% 0.0617% 510 0.9 100 18007 0.126% 213717 207024 435899 2-0 19: 57 97 145 115 55 127 56 69 129 111 109 83 59 128 71 98 146 72 87 0.813 11.45 0.8 90 88 92 98 145 28.9 8.287 0.012 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1160 Serine 11.5079 1352.3 2.5 scans 95% TIC 0.14% 0.619% 515 0.8 354 167357 0.690% 2142145 1984303 2387065 0-1 0.999 11.56 -2.9 100 99 98 99 306 35.8 1.021 -0.049 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1022 Thymine 11.5921 1357.3 2.7 scans 78% 255 m/z 1.8% 0.0270% 523 1.1 72 13107 93440 91328 0-1 9: 255 256 270 271 257 269 120 272 196 0.940 11.60 -0.5 99 98 95 99 270 23.4 10.415 -0.007 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1024 Threonine 11.9161 1376.8 2.5 scans 95% 73 m/z 0.29% 0.305% 554 1.0 265 81955 1057145 1028480 1-1 20: 73 218 219 117 291 292 147 101 220 57 75 100 203 74 293 128 133 132 221 320 0.998 11.92 -0.3 100 99 99 100 320 24.4 0.848 -0.005 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1148 Glutamine?? 13.2872 1462.1 2.7 scans 92% 155 m/z 0.35% 0.177% 684 1.0 187 68154 0.211% 613823 595552 729958 2-2 20: 155 73 147 156 229 139 59 75 100 74 157 148 230 84 131 133 72 58 60 114 0.989 13.35 -3.8 98 96 98 99 257 14.3 0.585 -0.060 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1146 Malic acid 13.5418 1478.1 2.7 scans 99% 73 m/z 0.032% 2.85% 709 0.6 735 741938 9875516 9796888 0-1 20: 73 147 233 245 133 189 75 148 335 190 175 191 74 149 55 101 234 265 217 307 1.000 13.62 -4.7 100 99 99 99 350 19.4 0.070 -0.075 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1142 Erythritol/Threitol 13.7080 1488.6 2.6 scans 56% 217 m/z 5.5% 0.0165% 724 1.3 57 4299 0.0172% 57222 57222 59504 0-0 7: 217 205 204 103 307 189 218 0.930 13.89 -11.5 86 88 78 89 320 0.0 0.000 -0.182 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1144 Contamination Parabanica acid 13.7438 1490.9 >4 scans 53% TIC 7.7% 0.00694% 728 1.4 48 3114 1.65% 24023 24023 5708200 0-0 0.841 13.81 -3.9 91 93 72 92 243 20.3 18.044 -0.062 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN METHIO~1-N1066 Methionine 3TMS STD 14.0016 1507.5 2.6 scans 23% 176 m/z (73) 2.0% 0.0267% 752 1.3 74 11908 92694 92407 0-1 6: 176 128 177 178 293 250 0.755 14.06 -3.9 81 87 60 85 293 14.5 3.900 -0.058 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0174 1508.5 2.6 scans 33% 232 m/z (73) 0.39% 0.141% 754 1.0 170 61210 490067 471311 1-1 19: 232 233 100 218 202 188 117 216 306 101 292 334 132 115 221 174 220 307 76 0.952 14.02 0.0 93 93 91 99 258 6.2 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0216 1508.8 3.3 scans 71% 73 m/z (232) 0.21% 0.372% 754 1.1 246 110038 1287402 1220227 1-1 20: 73 147 75 74 133 142 148 59 149 70 131 260 57 98 60 99 134 244 245 54 0.980 14.03 -0.5 96 98 95 98 258 46.4 3.553 -0.008 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1140 Aspartic acid 14.0216 1508.8 3.3 scans 70% 73 m/z (156) 0.25% 0.371% 754 1.1 246 93237 1285367 1218298 1-1 20: 73 147 75 74 133 142 148 59 149 70 131 260 57 98 60 99 134 244 245 54 0.982 14.09 -4.3 93 94 95 96 349 11.3 0.211 -0.065 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0289 1509.3 2.9 scans 66% 156 m/z (232) 0.21% 0.253% 755 1.0 220 110038 875423 873366 0-1 20: 156 157 258 230 158 259 231 140 121 58 55 112 66 85 214 154 141 67 228 71 0.984 14.11 -5.4 96 98 97 99 273 9.0 0.167 -0.081 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1134 GABA 14.1847 1519.6 2.6 scans 89% 174 m/z 0.38% 0.167% 770 1.1 195 62314 0.239% 579954 579954 826824 0-0 19: 174 73 304 147 175 305 86 176 75 306 59 216 100 246 172 133 130 74 131 0.997 14.24 -3.8 99 98 97 98 304 59.9 9.388 -0.057 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6108 1547.9 2.4 scans 97% 73 m/z 0.080% 1.07% 810 1.0 487 297942 3729572 3589197 1-1 20: 73 292 147 220 205 217 293 117 103 148 294 221 74 133 319 291 75 102 149 206 1.000 14.69 -5.3 100 99 98 99 409 36.1 0.552 -0.081 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7371 1556.2 2.8 scans 74% 174 m/z 0.36% 0.182% 822 1.0 188 66449 631739 576097 1-1 20: 174 73 86 175 176 250 91 100 59 251 65 130 162 117 87 121 131 116 158 144 0.961 14.16 37.9 91 93 90 99 250 35.3 3.538 0.572 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1036 Glutamic acic 15.5020 1607.3 2.4 scans 76% TIC 3.2% 0.0182% 895 0.5 63 7395 0.0817% 62975 62975 282642 0-0 0.978 15.50 -0.1 96 94 92 99 363 6.7 1.109 -0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1118 Phenylalanine 15.6009 1614.2 2.6 scans 81% 218 m/z (267) 1.8% 0.0475% 904 1.2 99 13028 164604 164604 0-0 7: 218 192 219 266 100 220 65 0.987 15.66 -4.0 95 96 93 97 294 7.4 0.560 -0.058 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1038 Xylose 15.8861 1634.0 2.9 scans 73% 103 m/z 3.9% 0.0222% 931 1.2 64 6138 0.139% 76964 74812 480873 0-2 6: 103 217 307 189 218 308 0.966 15.89 -0.2 91 90 88 95 307 18.2 8.006 -0.004 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1040 Xylose 16.0039 1642.1 2.6 scans 92% 73 m/z 0.81% 0.110% 943 1.1 151 29346 382778 382485 1-0 20: 73 103 217 307 147 189 308 160 218 204 277 205 133 74 191 309 104 234 129 59 0.995 16.00 0.0 98 97 98 99 307 40.9 7.301 -0.000 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1042 Ribose 16.1018 1648.9 2.9 scans 76% 73 m/z 2.7% 0.0297% 952 0.9 77 8798 0.101% 102977 102977 349411 0-0 11: 73 103 307 217 308 277 160 189 218 74 204 0.974 16.10 -0.1 93 92 90 96 307 22.2 8.243 -0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.2238 1657.4 2.8 scans 28% 290 m/z 3.3% 0.0124% 963 1.8 45 7268 43203 43203 0-1 5: 290 291 292 158 392 0.904 16.28 -3.7 92 92 63 94 392 8.5 3.684 -0.052 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1108 Ribose 16.3154 1663.8 2.9 scans 82% 73 m/z 1.7% 0.0591% 972 0.7 101 13801 204550 204550 0-0 18: 73 307 103 217 147 308 277 189 160 104 258 309 218 89 74 133 148 59 0.984 16.38 -4.1 94 93 92 94 467 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6121 1684.4 2.5 scans 90% 73 m/z 1.1% 0.0869% 1000 1.5 134 21042 0.114% 300875 300875 394385 0-0 20: 73 319 307 217 147 103 308 320 205 306 309 321 129 243 117 148 277 218 189 74 0.998 16.68 -4.4 99 98 97 99 497 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9257 1706.5 4.9 scans 64% TIC 4.8% 0.0211% 1030 2.4 67 4976 0.350% 73191 73191 1210830 0-0 0.978 16.99 -4.6 90 90 86 90 422 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9951 1711.5 3.0 scans 86% TIC 1.3% 0.0860% 1037 1.5 123 17226 0.456% 297789 297789 1577539 0-0 0.982 17.06 -5.0 95 95 92 95 510 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1044 Putrescine 17.1866 1725.5 2.7 scans 80% 174 m/z 0.49% 0.0907% 1055 1.1 136 48269 314115 303866 1-1 19: 174 175 214 176 172 86 200 59 361 100 130 146 142 215 173 376 99 201 126 0.994 17.19 -0.1 99 98 97 99 376 10.9 0.635 -0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3781 1739.5 3.3 scans 74% TIC 2.3% 0.0403% 1073 1.2 88 10111 0.388% 139440 139440 1342292 0-0 0.968 17.44 -4.8 94 94 91 94 511 6.0 0.466 -0.065 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5643 1753.1 2.7 scans 90% 217 m/z 0.34% 0.184% 1091 1.2 196 69902 0.708% 638389 608110 2449337 0-2 18: 217 73 218 147 219 450 74 305 232 191 257 129 451 148 203 149 169 131 0.996 17.63 -4.9 96 95 95 96 450 28.8 2.161 -0.068 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6959 1762.7 2.7 scans 65% 334 m/z (319) 0.69% 0.181% 1103 0.9 183 34488 0.183% 628830 601203 633091 2-0 16: 334 204 256 129 335 375 255 285 211 336 183 167 258 244 267 166 0.992 17.70 -0.2 95 97 96 97 375 22.0 1.449 -0.003 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1046 Shikimic acid 18.1241 1793.9 2.6 scans 88% 204 m/z 0.31% 0.213% 1144 1.1 212 77319 739942 697888 8-1 14: 204 147 205 255 206 357 372 254 358 462 331 282 283 193 0.992 18.13 -0.1 96 94 93 98 372 25.1 1.402 -0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1048 Citric acid 18.2451 1802.9 2.7 scans 69% 273 m/z 1.3% 0.0860% 1156 1.1 133 17729 0.143% 297558 294651 494711 0-2 18: 273 147 363 347 375 465 274 275 211 376 305 348 149 364 183 466 221 349 0.986 18.24 0.1 98 97 96 99 465 21.9 2.715 0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1082 Citric acid 18.2483 1803.1 3.6 scans 69% TIC 1.1% 0.0938% 1156 1.5 132 21604 0.374% 324604 324604 1293859 0-0 0.844 18.32 -5.6 91 95 86 97 465 21.0 2.510 -0.073 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1076 Pregnane?? 18.7859 1844.2 2.5 scans 98% 345 m/z 0.022% 3.63% 1207 0.7 898 1079628 12571596 12571596 0-0 20: 345 73 346 255 147 347 191 334 204 256 435 419 133 372 257 148 74 239 75 348 1.000 18.86 -5.5 100 100 100 100 537 69.3 0.597 -0.072 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1074 Adenine 18.8796 1851.3 3.2 scans 26% 264 m/z 4.0% 0.0107% 1216 1.2 42 5888 0.0270% 37221 37221 93407 0-0 6: 264 265 279 192 266 278 0.938 18.94 -4.6 92 93 82 93 415 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1072 Fructose 18.9522 1856.8 2.9 scans 96% 73 m/z 0.083% 1.35% 1223 0.9 497 288052 4672788 4380911 4-1 20: 73 103 307 217 147 308 277 218 133 309 74 117 205 189 364 104 89 148 219 75 1.000 19.03 -6.2 99 98 99 99 364 53.1 1.147 -0.081 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1052 Fructose 19.0753 1866.2 3.7 scans 94% 73 m/z 0.13% 1.12% 1234 0.7 390 173810 2.45% 3881673 3738948 8475811 1-4 20: 73 307 217 103 147 308 218 277 364 74 309 89 205 133 104 262 117 219 148 204 0.992 19.10 -2.2 99 98 98 98 364 41.6 1.137 -0.029 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1054 Galactose 19.1994 1875.7 4.5 scans 60% TIC 2.4% 0.0379% 1246 1.3 90 9865 10.9% 131139 131139 37708712 0-0 0.972 19.22 -1.3 90 89 88 94 376 0.0 0.000 -0.017 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1064 Mannose 19.3110 1884.2 4.1 scans 98% 319 m/z 0.012% 14.8% 1257 0.4 1418 1949939 51261190 51193846 1-0 20: 319 73 205 147 320 160 217 321 103 206 117 229 133 157 74 129 148 189 207 204 0.999 19.45 -11.0 100 98 99 100 319 565.5 15.971 -0.144 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1059 Glucose 19.5351 1901.4 3.1 scans 95% TIC 0.036% 3.61% 1278 0.6 787 653704 12516720 12155597 1-1 0.992 19.55 -1.3 100 99 99 100 376 31.0 0.155 -0.017 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1061 Lysine 19.6077 1907.2 2.7 scans 48% 174 m/z 6.9% 0.0163% 1285 1.0 58 3447 0.154% 56426 53836 532765 0-1 8: 174 317 156 230 128 318 100 175 0.974 19.61 -0.4 90 91 82 92 434 6.7 1.358 -0.005 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN BRA4_R~2-N1010 Tyrosine 19.8034 1922.9 2.7 scans 45% 218 m/z 3.6% 0.0155% 1304 1.2 54 6559 0.0160% 53857 48235 55352 2-0 5: 218 280 220 100 354 0.850 19.82 -1.2 89 90 79 92 382 5.3 0.954 -0.015 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1056 Ascorbic acid 19.8960 1930.4 3.0 scans 84% TIC 1.5% 0.0718% 1312 0.7 109 15469 0.210% 248503 230956 726498 2-0 0.989 19.99 -7.3 97 96 92 96 449 12.1 1.241 -0.090 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2811 1961.3 2.5 scans 60% 204 m/z 2.9% 0.0232% 1349 1.3 69 8257 80404 77488 1-1 6: 204 191 217 205 206 192 0.723 20.41 -10.7 83 85 71 86 217 20.8 9.171 -0.133 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6711 2076.4 3.1 scans 98% 305 m/z 0.019% 9.17% 1481 0.6 1259 1248614 31748773 30942567 1-1 20: 305 217 73 318 147 191 306 319 265 204 307 218 432 433 320 367 129 133 291 219 0.999 21.75 -6.5 100 100 100 100 507 105.5 0.705 -0.078 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8626 2092.5 3.4 scans 96% 319 m/z 0.26% 0.582% 1499 1.1 295 90131 2015281 1934183 1-2 20: 319 73 205 147 320 217 103 321 117 206 74 229 133 89 148 157 129 218 207 291 0.999 21.93 -5.6 97 95 97 99 656 6.1 0.043 -0.067 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1835 2120.2 2.8 scans 90% TIC 0.45% 0.213% 1530 1.2 209 52727 0.251% 738980 732478 868338 1-0 0.977 22.19 -0.3 98 98 95 98 396 93.0 19.856 -0.003 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6759 2163.2 3.1 scans 88% 204 m/z 2.1% 0.0372% 1577 1.4 77 11017 0.129% 129030 117794 446277 2-0 12: 204 73 205 361 147 206 145 117 249 191 129 74 0.990 22.71 -3.3 95 95 94 95 518 0.0 0.000 -0.038 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN BRA4_R~4-N1012 Spermidine 22.8937 2182.2 3.4 scans 77% 174 m/z 9.7% 0.0180% 1598 1.6 53 2469 0.0463% 62410 53858 160176 0-3 15: 174 201 200 73 418 172 86 175 59 146 116 202 84 100 160 0.991 22.90 -0.6 92 90 92 99 418 9.1 2.906 -0.006 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN BRA4_R~2-N1006 Spermidine 23.5114 2237.9 2.8 scans 81% 144 m/z 7.2% 0.0197% 1656 1.1 61 3338 0.0215% 68356 59832 74380 4-7 13: 144 174 73 116 156 160 172 86 170 175 142 100 59 0.993 23.51 0.2 93 94 93 94 490 3.0 0.000 0.002 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1332 2294.7 2.7 scans 85% 204 m/z 3.2% 0.0189% 1715 1.1 63 7299 65691 62529 1-2 10: 204 73 103 147 337 205 217 206 129 338 0.991 24.01 11.2 90 89 86 90 490 0.0 0.000 0.123 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6572 2344.3 3.1 scans 93% 73 m/z 0.86% 0.190% 1765 0.5 166 27807 657833 601781 1-2 20: 73 147 331 217 191 307 421 205 262 103 319 204 422 305 259 218 332 333 148 192 0.998 24.65 0.7 98 97 96 97 466 9.7 0.341 0.007 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4480 2520.1 2.7 scans 88% 73 m/z 3.3% 0.0296% 1935 1.0 78 7125 0.0713% 102471 97900 246663 3-1 19: 73 217 204 147 175 740 218 741 305 205 117 74 219 131 133 191 232 273 742 0.993 26.52 -7.5 89 89 84 89 740 12.2 2.477 -0.073 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5343 2529.1 3.0 scans 89% TIC 2.6% 0.0589% 1943 1.4 101 9138 0.110% 204045 198960 380547 2-3 0.974 26.57 -4.0 96 96 88 96 512 37.8 14.054 -0.039 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN WTF2-N1032 Sucrose 26.6522 2541.2 2.8 scans 86% 361 m/z 5.9% 0.0256% 1955 1.1 69 4072 0.0690% 88600 81459 238707 1-5 18: 361 73 217 437 273 129 362 438 363 103 147 149 117 243 271 218 319 169 0.995 26.87 -22.5 86 86 85 88 451 7.3 1.117 -0.218 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1020 Sucrose 27.4055 2619.7 10.5 scans 9.9% 437 m/z (361) 0.044% 3.86% 2026 1.8 470 546052 13375456 12999563 1-1 20: 437 451 438 439 452 435 317 346 83 441 464 184 276 263 431 297 395 468 252 288 0.738 27.46 -5.9 94 97 95 98 437 299.3 40.723 -0.055 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1018 Sucrose 27.4171 2620.9 10.5 scans 70% 361 m/z (217) 0.0076% 27.0% 2027 1.1 1280 3153551 29.7% 93635000 91394858 102747591 1-0 20: 361 362 363 319 129 364 331 320 245 321 157 259 347 69 291 247 258 173 199 119 0.978 27.47 -5.6 87 89 74 89 437 299.3 5.497 -0.053 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1014 Sucrose 27.4171 2620.9 10.5 scans 87% 361 m/z 0.0076% 32.9% 2027 1.1 1426 3153551 36.2% 113898439 111173511 125234438 1-0 20: 361 362 363 319 129 364 331 320 245 321 157 259 347 69 291 247 258 173 199 119 1.000 27.49 -7.8 100 99 99 99 437 299.3 4.440 -0.073 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1010 Sucrose 27.4266 2621.9 10.5 scans 98% TIC 0.0077% 41.5% 2028 0.1 1512 3116990 143672018 142893975 1-0 0.998 27.58 -16.3 100 99 98 99 437 291.0 3.730 -0.152 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1008 Sucrose 27.4634 2625.9 10.0 scans 100% 73 m/z 0.0084% 35.2% 2032 0.2 1502 2850292 121992981 121087278 1-0 20: 73 103 129 74 75 133 148 149 130 104 59 450 69 55 113 101 81 89 116 119 1.000 27.59 -13.6 100 99 97 99 437 266.3 3.163 -0.128 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN TAB_REP6-N1070 Sucrose 27.4729 2626.9 >2 scans 61% 361 m/z (73) 0.012% 4.58% 2033 2.1 1143 1992046 25.1% 15862142 15862142 86833823 0-0 20: 361 217 362 363 271 243 319 218 191 331 364 219 230 272 204 189 320 257 205 231 0.937 27.41 6.8 94 95 93 98 451 97.7 0.000 0.063 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN LQC1-N1006 Trehalose 28.3830 2725.3 3.2 scans 60% 361 m/z 6.5% 0.00682% 2119 1.2 47 3668 0.0262% 23606 23606 90639 0-0 8: 361 363 362 191 204 271 217 205 0.959 28.47 -9.6 88 88 71 91 565 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel polar\BNWA_REP3.FIN GUA35_L1-N1020 Galactinol 30.6915 2989.7 4.3 scans 90% 204 m/z 3.3% 0.0307% 2338 1.5 61 7139 106352 95047 1-15 9: 204 191 205 217 206 147 230 361 433 0.988 30.55 17.3 81 80 83 81 641 0.0 0.000 0.147 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN EXBLK5S-N1006 Contamination 6.3532 1047.2 6.1 scans 77% TIC 0.68% 0.104% 25 1.7 136 37994 0.145% 466967 459322 645769 4-0 0.987 6.63 -16.1 99 99 96 99 295 42.4 9.636 -0.272 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8477 1076.5 14.7 scans 24% 147 m/z 7.6% 0.0240% 72 0.1 37 3377 106976 100655 2-1 3: 147 117 190 0.767 6.82 1.6 84 92 65 88 295 2.6 0.000 0.027 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1194 Alanine 7.4307 1111.1 11.0 scans 71% TIC 1.1% 0.105% 128 0.6 100 22650 0.200% 469786 469786 890716 0-0 0.970 7.40 1.6 96 95 94 96 283 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9368 1141.1 2.5 scans 66% 156 m/z 3.7% 0.0137% 176 1.0 63 6836 0.0158% 61367 57467 70367 6-1 5: 156 55 157 54 61 0.962 7.96 -1.1 96 96 91 98 156 34.0 29.479 -0.020 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN WTF2-N1026 Cadaverine NC 8.1914 1156.2 3.1 scans 78% 174 m/z 1.6% 0.0406% 200 1.1 92 15909 0.0610% 181095 152194 271668 0-6 14: 174 73 175 216 86 142 160 100 176 217 59 130 113 74 0.989 7.74 27.0 94 93 89 99 216 20.4 4.956 0.455 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1188 Contamination 8.3797 1167.3 3.8 scans 58% 281 m/z 4.3% 0.0208% 218 1.7 57 5975 0.0213% 92679 82121 94861 0-8 8: 281 369 282 283 265 370 249 207 0.979 8.41 -2.1 97 98 93 97 369 18.4 10.311 -0.035 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1190 Contamination 8.4334 1170.5 3.2 scans 55% 73 m/z 5.1% 0.0139% 223 1.1 56 5063 0.0453% 62158 55035 201747 0-4 7: 73 140 198 211 77 69 70 0.966 8.48 -3.0 81 79 84 87 309 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1184 Valine 9.1857 1214.9 4.0 scans 65% 144 m/z 2.7% 0.0202% 295 0.5 60 9435 0.0284% 90171 86080 126482 0-1 6: 144 73 218 145 146 219 0.939 9.19 -0.1 96 96 89 96 218 19.1 9.922 -0.002 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1180 Benzoic acid 9.7508 1248.0 3.0 scans 67% 179 m/z 4.4% 0.0175% 348 0.8 62 5876 78038 69752 2-2 8: 179 105 135 77 180 194 202 136 0.922 9.76 -0.5 88 85 82 98 194 9.1 2.130 -0.008 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1178 Ethanolamine 9.9938 1262.2 4.3 scans 54% TIC 4.5% 0.00729% 371 1.5 50 5753 0.139% 32490 32490 619047 0-0 0.924 10.03 -2.3 90 89 84 95 262 5.6 1.268 -0.040 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN VEN77_S6-N1002 Glycerol 10.0717 1266.7 2.3 scans 38% 299 m/z 0.98% 0.0325% 379 1.1 99 26369 145002 140065 1-1 11: 299 300 301 314 211 283 315 193 302 316 225 0.842 10.09 -1.3 96 96 75 96 299 66.7 45.683 -0.022 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LACTIC~1-N1034 Glycerol 10.1032 1268.6 3.7 scans 91% 147 m/z 0.74% 0.142% 382 0.7 165 34669 0.154% 633334 600858 685851 1-1 19: 147 73 205 117 103 133 218 206 148 204 175 149 101 129 131 191 177 118 119 0.953 10.11 -0.4 98 96 95 99 293 10.9 0.434 -0.007 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2379 1276.5 2.7 scans 75% 73 m/z 2.4% 0.0183% 395 0.9 70 10647 81668 81668 0-0 8: 73 198 211 77 199 70 74 239 0.959 10.24 -0.1 93 92 89 94 381 6.4 0.833 -0.002 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1176 Isoleucine 10.4347 1288.0 3.0 scans 54% 158 m/z 3.3% 0.0135% 413 0.9 57 7716 0.0169% 60408 56341 75265 0-2 7: 158 218 159 117 232 160 219 0.941 10.46 -1.4 91 90 81 94 260 0.0 0.000 -0.024 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1012 Proline 10.5231 1293.2 3.3 scans 91% TIC 0.20% 0.209% 422 0.6 215 129759 0.994% 933243 933243 4426856 0-0 0.994 10.53 -0.6 100 99 98 100 216 39.3 3.351 -0.010 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1014 Maleic acid 10.5936 1297.3 2.6 scans 84% 147 m/z 0.53% 0.0775% 428 1.3 154 48322 0.566% 345161 345161 2520725 0-0 19: 147 73 245 148 75 149 83 133 74 115 143 246 59 84 98 72 242 126 66 0.978 10.60 -0.5 99 98 99 99 245 34.7 5.073 -0.008 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1170 Glycine 10.6588 1301.1 3.2 scans 75% 174 m/z 0.94% 0.0560% 435 0.8 118 27564 0.282% 249523 249523 1255909 0-0 17: 174 73 248 175 86 276 133 176 100 249 59 130 158 246 134 101 277 0.945 10.69 -1.7 98 98 90 98 276 18.2 2.371 -0.028 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7304 1305.4 2.7 scans 73% 147 m/z 0.15% 0.276% 441 1.4 251 167765 0.329% 1231916 1153387 1465227 2-1 18: 147 76 251 148 149 58 132 177 252 150 133 253 62 176 118 90 222 134 0.799 10.76 -1.7 98 99 79 98 251 65.6 6.833 -0.028 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN EXBLK5S-N1004 d4-Succinic acid 10.7535 1306.8 >3 scans 75% TIC 0.38% 0.221% 444 4.1 238 67084 0.530% 985814 984759 2360396 0-1 0.992 10.76 -0.5 85 84 84 86 251 3.3 0.000 -0.008 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1168 Glyceric acid 11.0176 1322.7 2.5 scans 94% 73 m/z 0.47% 0.148% 469 1.1 207 54230 0.156% 660532 643971 694758 1-0 20: 73 147 292 189 133 103 205 293 102 190 117 74 307 148 294 149 75 59 101 134 0.999 11.05 -2.2 100 99 99 99 292 60.7 8.630 -0.036 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1018 Uracil 11.1376 1330.0 2.3 scans 52% 241 m/z 13% 0.00384% 480 1.3 36 1924 17110 17110 1-0 4: 241 256 255 242 0.978 11.15 -0.6 95 97 97 99 256 12.7 12.810 -0.010 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1162 Fumaric acid 11.3575 1343.2 2.5 scans 89% 245 m/z 0.65% 0.0781% 501 1.0 149 39445 348177 311518 3-3 20: 245 147 73 246 75 143 247 83 240 133 149 148 84 155 115 74 53 61 127 157 0.996 11.39 -2.1 97 96 95 96 245 81.6 29.930 -0.036 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4585 1349.3 3.2 scans 43% 57 m/z (84) 1.4% 0.0488% 511 1.0 101 18421 0.0527% 217567 195648 234704 3-0 13: 57 145 97 115 127 55 56 69 129 83 128 146 98 0.973 11.45 0.8 87 86 94 98 145 28.3 7.893 0.012 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4711 1350.0 2.9 scans 67% 84 m/z (204) 1.0% 0.0607% 512 1.2 120 24269 270576 259954 1-1 13: 84 162 161 92 82 118 65 51 63 78 91 64 120 0.745 10.96 31.0 88 92 89 98 161 27.0 5.082 0.515 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1020 Serine 11.5079 1352.3 2.5 scans 86% 204 m/z 0.33% 0.214% 515 1.0 244 76369 956506 948661 3-0 17: 204 73 218 205 147 219 278 206 116 74 220 306 216 132 101 103 148 0.928 11.51 -0.3 99 98 95 98 306 23.8 0.952 -0.005 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1160 Serine 11.5090 1352.3 2.8 scans 88% TIC 0.35% 0.246% 515 1.2 247 74032 0.401% 1099399 1069333 1785885 0-1 0.937 11.56 -2.9 98 97 94 98 306 23.7 0.921 -0.048 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1022 Thymine 11.5932 1357.4 2.8 scans 67% 255 m/z 3.8% 0.00957% 523 1.1 49 6742 42640 42640 0-0 6: 255 270 256 257 269 271 0.976 11.60 -0.4 98 98 87 98 270 17.6 12.683 -0.006 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1024 Threonine 11.9162 1376.8 2.5 scans 95% TIC 0.56% 0.138% 554 0.9 199 46300 0.160% 615960 581770 712572 5-1 0.999 11.92 -0.3 100 99 99 100 320 18.3 0.844 -0.005 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1148 Glutamine?? 13.2840 1461.9 2.6 scans 76% 155 m/z 2.1% 0.0209% 684 1.1 77 11934 93151 92923 1-0 6: 155 156 229 139 59 157 0.943 13.35 -4.0 92 92 89 95 257 5.0 0.419 -0.063 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1026 Malic acid 13.5271 1477.2 2.5 scans 98% 73 m/z 0.084% 0.731% 707 1.0 461 307031 3256089 3185395 1-1 20: 73 147 233 245 133 75 148 190 189 175 55 74 335 149 101 191 217 59 234 265 1.000 13.53 -0.4 100 99 99 100 335 57.1 1.538 -0.006 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1142 Erythritol/Threitol 13.7102 1488.7 2.8 scans 67% 217 m/z 2.9% 0.0276% 724 0.9 82 8804 0.328% 123115 111733 1460774 1-5 12: 217 205 147 103 307 189 204 191 218 206 148 293 0.971 13.89 -11.4 94 94 91 95 320 6.5 0.621 -0.180 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1140 Aspartic acid 14.0164 1508.4 2.8 scans 69% 232 m/z 0.95% 0.0793% 754 1.0 141 27102 353204 336291 1-2 15: 232 73 233 100 218 234 202 188 216 117 334 115 70 142 101 0.839 14.09 -4.7 80 77 79 94 349 5.5 0.156 -0.071 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1134 GABA 14.1826 1519.5 2.8 scans 90% TIC 0.73% 0.0972% 769 1.2 156 35155 0.190% 433152 424049 846180 0-1 0.998 14.24 -3.9 98 97 96 97 304 46.3 8.860 -0.059 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1032 GABA 14.1836 1519.5 2.7 scans 88% 174 m/z 0.73% 0.0918% 770 1.1 153 35481 0.111% 409044 401399 494347 0-3 18: 174 304 147 175 305 86 75 176 216 100 59 133 246 172 148 74 130 156 0.997 14.19 -0.3 99 98 96 98 304 46.5 9.211 -0.004 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3278 1529.1 2.6 scans 34% 239 m/z 8.3% 0.00680% 783 1.2 43 3117 30321 30321 0-0 5: 239 174 342 343 240 0.887 14.37 -3.1 81 80 38 89 342 17.2 15.878 -0.046 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3594 1531.2 7.8 scans 73% TIC 4.6% 0.0176% 786 3.3 63 5568 0.316% 78645 78343 1407331 0-1 0.930 14.69 -22.0 89 89 80 89 409 0.0 0.000 -0.333 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6077 1547.7 2.5 scans 94% 73 m/z 0.40% 0.172% 810 1.0 222 64092 766927 730296 1-1 20: 73 292 147 220 205 293 217 117 103 221 148 294 74 133 319 149 291 189 102 206 0.997 14.62 -0.9 100 99 98 99 409 17.1 0.594 -0.013 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7371 1556.2 2.8 scans 70% 174 m/z 0.42% 0.124% 822 1.0 181 60668 553329 524878 1-1 20: 174 175 86 176 250 59 100 130 65 251 162 117 87 131 118 158 116 101 160 252 0.975 14.16 37.9 91 93 91 99 250 33.3 3.393 0.572 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3790 1598.8 2.6 scans 80% 217 m/z 1.2% 0.0377% 883 1.1 112 21155 0.0583% 168245 168245 259644 0-0 14: 217 73 218 147 219 215 74 129 133 189 284 148 131 238 0.952 15.44 -4.2 92 91 90 93 393 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1118 Phenylalanine 15.6020 1614.2 2.8 scans 77% 218 m/z (267) 5.1% 0.0170% 904 1.0 66 5078 75952 75952 0-1 6: 218 192 219 100 266 220 0.975 15.66 -4.0 89 90 86 95 294 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1038 Xylose 15.8903 1634.3 >3 scans 69% TIC 3.3% 0.0182% 932 1.1 75 7825 0.200% 81122 81122 890716 0-0 0.975 15.89 0.1 91 89 86 96 307 21.1 7.963 0.000 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1040 Xylose 16.0050 1642.2 2.6 scans 92% 73 m/z 0.73% 0.106% 943 0.9 169 35484 0.178% 474465 474465 792737 0-0 19: 73 103 307 217 147 189 160 277 205 133 218 204 74 104 191 105 89 129 59 0.996 16.00 0.1 98 96 97 99 307 48.0 8.015 0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1042 Ribose 16.1029 1649.0 2.9 scans 88% TIC 1.7% 0.0419% 952 1.0 103 14627 0.136% 186754 186754 605687 0-0 0.996 16.10 0.0 97 95 95 98 307 28.5 7.630 -0.000 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.2260 1657.6 3.3 scans 43% 290 m/z 4.1% 0.00911% 964 1.8 42 6331 0.00935% 40607 40607 41641 0-0 4: 290 291 292 158 0.910 16.28 -3.5 88 88 57 93 392 7.6 3.265 -0.050 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1108 Ribose 16.3165 1663.9 3.3 scans 80% 73 m/z 1.6% 0.0528% 972 0.6 104 15824 235544 233872 1-0 18: 73 103 307 217 308 160 189 277 147 104 309 218 133 74 89 105 204 148 0.959 16.38 -4.0 93 93 89 95 467 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6121 1684.4 2.7 scans 92% 73 m/z 0.97% 0.0933% 1000 1.4 156 26720 0.129% 415716 415716 574512 0-0 20: 73 307 319 147 103 217 320 308 205 129 306 218 117 74 321 133 277 148 189 157 0.998 16.68 -4.4 100 99 98 99 497 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9236 1706.3 2.6 scans 73% 217 m/z 3.0% 0.0262% 1030 1.0 92 8591 0.173% 116728 116728 770469 0-0 14: 217 147 307 103 205 319 218 204 129 189 308 206 320 191 0.988 16.99 -4.8 93 93 90 93 422 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9962 1711.6 2.8 scans 89% TIC 0.97% 0.0944% 1037 1.0 156 26704 0.366% 420733 403484 1630010 0-2 0.996 17.06 -4.9 97 96 94 96 510 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1044 Putrescine 17.1877 1725.6 2.6 scans 78% 174 m/z (73) 0.70% 0.0520% 1055 1.1 122 36985 231624 229427 0-1 19: 174 175 214 172 176 86 361 200 100 130 146 215 173 114 116 99 376 362 187 0.992 17.19 -0.0 97 98 96 98 376 9.0 0.543 -0.000 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1096 Putrescine 17.1877 1725.6 2.6 scans 69% 174 m/z 0.69% 0.0457% 1055 1.1 115 37278 203923 201989 0-1 19: 174 175 214 172 176 86 361 200 100 130 146 215 173 114 116 99 376 362 187 1.000 17.25 -4.4 99 98 96 99 458 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3802 1739.7 4.0 scans 70% TIC 4.2% 0.0191% 1073 1.1 67 6079 0.147% 85076 85076 654676 0-0 0.967 17.44 -4.6 92 93 87 92 511 3.7 0.307 -0.063 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5654 1753.2 2.7 scans 90% 217 m/z 0.30% 0.174% 1091 1.1 222 85329 0.350% 775401 720469 1558752 0-1 20: 217 73 218 147 219 450 74 191 133 75 129 305 232 451 257 148 149 169 131 230 0.996 17.63 -4.8 96 95 95 96 450 30.9 1.935 -0.067 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6980 1762.8 3.2 scans 76% 73 m/z (292) 1.0% 0.128% 1103 0.7 168 25786 0.265% 572390 572390 1180198 0-0 20: 73 334 204 256 129 335 257 147 255 375 336 75 217 258 183 285 167 244 149 211 0.996 17.70 -0.1 96 97 96 98 375 20.2 1.444 -0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1046 Shikimic acid 18.1305 1794.4 3.5 scans 74% TIC 1.1% 0.124% 1145 1.0 135 23195 0.195% 553098 354222 868448 6-2 0.899 18.13 0.4 95 95 92 97 372 13.6 1.013 0.005 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1048 Citric acid 18.2472 1803.1 2.5 scans 57% 273 m/z 3.2% 0.0274% 1156 1.0 88 8007 122139 122139 1-0 13: 273 347 363 375 274 465 211 275 348 364 257 183 466 0.973 18.24 0.3 97 97 91 98 465 13.1 2.198 0.003 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1076 Pregnane?? 18.7807 1843.8 2.9 scans 96% 345 m/z 0.073% 1.21% 1206 1.1 540 353703 5425692 5182626 1-1 20: 345 73 255 346 147 347 334 204 256 191 435 419 74 133 148 372 257 75 149 239 1.000 18.86 -5.9 100 100 99 100 537 41.2 0.584 -0.077 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1074 Adenine 18.8817 1851.5 3.0 scans 19% 264 m/z 13% 0.00222% 1216 1.5 23 1963 0.0914% 9890 9890 407057 0-0 2: 264 279 1.000 18.94 -4.4 84 89 71 89 415 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1050 Fructose 18.9838 1859.3 4.6 scans 97% 73 m/z 0.017% 10.1% 1226 0.6 1274 1511841 45031334 42858146 1-1 20: 73 307 217 103 147 308 277 218 309 133 364 189 205 74 117 219 104 191 89 148 1.000 18.98 0.3 100 99 100 100 364 149.0 1.372 0.004 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1052 Fructose 19.1121 1869.0 4.8 scans 98% 73 m/z 0.023% 7.52% 1238 0.4 1076 1109118 17.8% 33524989 33511211 79273687 1-0 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 262 117 89 219 189 148 104 0.999 19.10 0.6 100 99 100 100 364 124.8 1.349 0.008 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1056 Glucose 19.3384 1886.3 >5 scans 84% 189 m/z 0.013% 13.3% 1259 0.3 1387 1899309 17.6% 59311060 57023621 78382971 1-0 14: 189 323 309 82 208 174 375 467 465 367 328 273 303 523 0.998 19.33 0.5 100 99 99 99 364 99.9 0.520 0.006 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1064 Mannose 19.3447 1886.8 6.9 scans 100% 293 m/z 0.011% 20.8% 1260 0.3 1557 2296951 92838737 92653510 2-0 19: 293 376 366 220 187 304 286 378 241 211 379 280 324 212 450 482 360 449 271 0.999 19.45 -8.4 100 99 99 100 319 622.8 16.066 -0.110 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1066 Glucose 19.3510 1887.3 6.3 scans 65% 73 m/z (273) 0.011% 13.9% 1261 0.3 1304 2319625 62132677 60121288 1-1 20: 73 319 205 147 160 320 217 103 321 117 206 133 74 129 157 148 229 75 189 204 0.959 19.40 -3.6 88 90 68 92 319 625.9 23.114 -0.048 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN BRA4_R~2-N1004 Galactose 19.3510 1887.3 6.3 scans 82% 73 m/z (293) 0.011% 17.4% 1261 0.3 1456 2238644 77550613 75040107 1-1 20: 73 319 205 147 160 320 217 103 321 117 206 133 74 129 157 148 229 75 189 204 0.991 19.36 -0.8 96 98 97 98 364 0.0 0.000 -0.010 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1059 Glucose 19.5635 1903.7 3.0 scans 97% TIC 0.020% 5.87% 1281 0.5 1148 1257291 26180001 26140224 1-0 0.998 19.55 1.0 100 99 99 99 376 48.3 0.178 0.012 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7224 1916.4 2.9 scans 74% TIC 1.8% 0.0331% 1296 1.7 104 13683 0.176% 147620 139435 783830 1-0 0.987 19.79 -5.5 90 89 88 91 434 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2843 1961.6 2.6 scans 52% 204 m/z 2.7% 0.0193% 1349 1.3 70 9605 86083 76615 2-2 4: 204 191 192 206 0.553 20.41 -10.4 84 83 63 87 217 23.8 0.000 -0.130 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2917 1962.2 3.2 scans 71% TIC 1.9% 0.0394% 1350 1.2 96 13366 0.0973% 175618 173857 433333 1-2 0.818 20.30 -0.3 84 88 82 85 433 8.4 0.763 -0.004 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6753 2076.7 3.1 scans 98% 305 m/z 0.020% 7.48% 1482 0.5 1291 1283046 33336304 32115401 1-1 20: 305 217 318 73 147 191 306 319 265 204 307 432 218 433 320 367 129 133 291 148 0.999 21.75 -6.2 100 100 99 100 507 107.4 0.695 -0.074 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8605 2092.3 3.3 scans 97% 319 m/z 0.15% 0.833% 1499 1.1 416 171447 3713564 3564642 1-1 20: 319 73 205 147 320 217 103 321 262 206 117 74 133 229 204 148 89 129 157 291 0.999 21.93 -5.8 96 94 97 99 656 9.3 0.050 -0.070 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1877 2120.6 2.6 scans 87% TIC 0.94% 0.0924% 1530 1.2 163 27385 0.132% 411760 411760 587872 0-0 0.952 22.19 0.1 98 97 93 99 396 68.0 17.428 0.002 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6728 2163.0 3.1 scans 93% 204 m/z 0.75% 0.0926% 1576 1.4 145 34168 0.227% 412452 400052 1010962 1-0 19: 204 73 205 217 147 361 145 206 117 191 74 103 249 129 131 218 362 219 189 0.996 22.71 -3.5 94 92 94 96 518 0.0 0.000 -0.041 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1322 2294.6 2.7 scans 81% 204 m/z 6.8% 0.00795% 1715 0.9 45 3768 0.00927% 35416 34680 41285 1-0 4: 204 217 205 337 0.974 24.01 11.1 81 81 78 81 490 0.0 0.000 0.122 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6551 2344.1 3.1 scans 94% 73 m/z 0.53% 0.269% 1765 0.5 224 48642 1198670 1139118 1-1 20: 73 147 331 217 191 205 421 262 103 307 319 332 422 259 74 333 305 376 117 204 0.999 24.65 0.5 99 98 98 99 466 13.4 0.360 0.005 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5333 2529.0 3.6 scans 80% TIC 2.7% 0.0472% 1943 1.5 98 9312 210315 200754 1-2 0.924 26.57 -4.1 96 95 87 95 512 34.4 12.323 -0.040 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN WTF2-N1032 Sucrose 26.6532 2541.3 2.7 scans 88% 361 m/z 5.9% 0.0200% 1955 1.0 70 4338 0.0503% 89087 80301 224015 2-4 13: 361 73 217 437 273 438 362 147 129 169 271 149 439 0.994 26.87 -22.4 85 85 83 87 451 7.5 1.142 -0.217 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1020 Sucrose 27.4045 2619.6 10.6 scans 10% 437 m/z (361) 0.047% 3.03% 2026 1.8 484 546382 13533395 13377670 1-1 14: 437 451 438 450 158 307 463 366 334 161 467 433 379 465 0.747 27.46 -6.0 96 98 97 99 437 303.8 39.548 -0.056 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1010 Sucrose 27.4150 2620.7 10.1 scans 99% 361 m/z 0.0083% 30.7% 2027 1.2 1544 3127723 136913076 135389856 1-0 20: 361 362 363 319 331 320 204 291 273 203 332 192 345 435 232 233 258 207 241 317 0.998 27.58 -17.5 100 99 98 99 437 291.6 3.591 -0.164 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1018 Sucrose 27.4150 2620.7 10.1 scans 48% 361 m/z (73) 0.0082% 15.2% 2027 1.2 1081 3163698 67858525 67103568 1-0 20: 361 362 363 319 331 320 204 291 273 203 332 192 345 435 232 233 258 207 241 317 0.878 27.47 -5.8 90 94 55 92 437 303.8 7.952 -0.055 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1014 Sucrose 27.4182 2621.0 10.1 scans 91% TIC 0.0082% 24.6% 2027 0.9 1480 3161165 28.8% 109935636 106794663 128263044 1-0 1.000 27.49 -7.7 100 99 99 100 437 301.8 4.195 -0.072 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1008 Sucrose 27.4498 2624.4 >8 scans 98% 103 m/z 0.0088% 24.5% 2030 0.2 1506 2942921 28.9% 109247772 106370295 128708402 1-0 7: 103 274 91 65 178 106 120 1.000 27.59 -15.1 100 99 98 99 437 279.2 3.462 -0.141 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN TAB_REP6-N1068 Sucrose 27.4624 2625.8 9.7 scans 78% 73 m/z (274) 0.0093% 5.69% 2032 2.0 1342 2770135 22.7% 25371647 24095930 101096219 0-1 20: 73 217 147 103 129 271 169 74 218 243 75 451 191 117 133 219 148 189 205 230 0.955 27.41 6.1 97 98 87 98 451 176.2 1.733 0.057 G:\GCMS data\Nicotiana Panel polar\BNWA_REP4.FIN LQC1-N1016 Sucrose 27.4624 2625.8 9.7 scans 55% 73 m/z (192) 0.014% 4.03% 2032 2.0 1129 1773619 16.0% 17949019 17046521 71257247 0-1 20: 73 217 147 103 129 271 169 74 218 243 75 451 191 117 133 219 148 189 205 230 0.988 27.48 -1.5 86 87 94 91 437 16.4 0.000 -0.015 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN EXBLK5S-N1006 Contamination 6.3911 1049.4 2.9 scans 76% 207 m/z 0.55% 0.194% 29 1.3 150 44903 657903 387378 12-10 18: 207 73 295 208 209 191 296 279 193 133 297 192 189 210 247 177 280 163 0.990 6.63 -13.9 99 99 95 99 295 46.9 9.720 -0.234 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN BRA4_R~4-N1014 Lactic acid 6.9025 1079.8 13.3 scans 29% 117 m/z 10% 0.0195% 78 0.2 34 2264 0.0347% 66426 66426 117615 0-0 2: 117 147 0.921 6.82 4.9 83 83 84 91 295 3.1 0.000 0.081 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1194 Alanine 7.4538 1112.4 12.6 scans 73% 116 m/z 1.2% 0.170% 129 0.9 98 20415 0.244% 578330 578330 827031 0-0 3: 116 73 85 0.988 7.40 2.9 95 94 93 96 283 0.0 0.000 0.050 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN A-KETO~2-N1006 Contamination?? 7.9726 1143.2 2.3 scans 70% 156 m/z 3.2% 0.0217% 179 1.3 67 7752 0.0352% 73776 60387 119309 27-5 5: 156 75 55 157 54 0.977 7.96 1.0 97 97 94 98 156 36.3 29.535 0.016 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN WTF2-N1026 Cadaverine NC 8.2114 1157.3 2.9 scans 76% TIC 1.5% 0.0337% 202 1.0 86 15862 0.142% 114549 112164 481305 0-5 0.963 7.74 28.1 93 94 87 97 216 20.2 5.462 0.475 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1188 Contamination 8.3913 1168.0 3.3 scans 82% 281 m/z 1.8% 0.0668% 219 2.1 96 13524 0.0803% 226561 181611 272175 9-11 19: 281 73 369 147 282 283 370 249 265 371 191 207 284 148 193 266 267 372 250 0.992 8.41 -1.4 99 98 84 99 369 27.8 8.325 -0.024 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1184 Valine 9.2078 1216.2 4.5 scans 67% 144 m/z 2.8% 0.0268% 297 0.5 60 8796 0.0337% 90940 85472 114225 2-2 6: 144 73 218 145 100 146 0.940 9.19 1.2 95 95 87 95 218 18.7 9.829 0.020 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1180 Benzoic acid 9.7708 1249.1 2.8 scans 68% 179 m/z 4.7% 0.0183% 350 0.8 59 5203 62173 61977 2-0 8: 179 105 135 77 180 194 136 202 0.911 9.76 0.6 88 85 81 97 194 8.6 2.154 0.012 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN VEN77_S6-N1002 Glycerol 10.0896 1267.8 >3 scans 65% TIC 0.65% 0.101% 380 1.4 133 38113 0.180% 344083 343625 610105 1-0 0.987 10.09 -0.2 99 98 94 99 299 80.5 36.850 -0.004 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LACTIC~1-N1034 Glycerol 10.1169 1269.4 3.9 scans 90% 73 m/z 0.75% 0.175% 383 0.6 159 32928 0.184% 594600 584154 623663 4-0 20: 73 205 147 117 133 103 218 206 129 204 148 175 101 177 203 131 191 119 219 217 0.947 10.11 0.4 96 96 93 99 293 9.7 0.374 0.007 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2516 1277.3 2.7 scans 61% 73 m/z 5.2% 0.00970% 396 1.0 45 4756 32904 28788 1-2 4: 73 198 211 77 0.942 10.24 0.7 87 86 79 89 381 4.1 0.813 0.012 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1176 Isoleucine 10.4473 1288.7 2.9 scans 57% 158 m/z 3.0% 0.0212% 415 0.7 60 8069 72145 70020 6-0 6: 158 218 159 232 100 219 0.962 10.46 -0.7 92 91 86 95 260 3.4 0.327 -0.012 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1012 Proline 10.5357 1293.9 3.1 scans 92% TIC 0.21% 0.242% 423 0.6 208 116981 1.24% 820994 820994 4202944 0-0 0.995 10.53 0.1 100 99 98 100 216 37.5 3.259 0.003 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6051 1298.0 2.7 scans 76% 147 m/z 0.95% 0.0610% 429 1.2 116 25934 0.709% 206890 206890 2403135 0-0 15: 147 73 245 75 148 83 149 115 84 133 126 170 59 61 98 0.934 10.60 0.2 96 95 96 98 245 25.6 4.851 0.003 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1170 Glycine 10.6714 1301.9 3.1 scans 76% 174 m/z 0.76% 0.0923% 436 0.7 128 32371 0.158% 312880 312880 535536 0-0 15: 174 248 175 86 176 133 276 249 59 250 134 130 117 101 246 0.946 10.69 -0.9 97 98 90 97 276 19.5 2.325 -0.016 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7451 1306.3 4.0 scans 82% TIC 0.13% 0.642% 443 1.8 303 183775 1.05% 2176915 2062173 3558945 0-1 0.932 10.76 -0.8 100 99 98 100 251 66.0 4.755 -0.013 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN EXBLK5S-N1004 d4-Succinic acid 10.7693 1307.8 2.5 scans 64% 200 m/z (147) 0.70% 0.183% 445 1.0 198 35241 621169 584610 1-1 16: 200 110 208 297 70 69 228 201 298 130 232 184 209 240 108 229 0.979 10.76 0.5 82 84 79 85 251 4.0 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1168 Glyceric acid 11.0250 1323.2 2.5 scans 90% 73 m/z 0.71% 0.131% 469 1.1 167 34886 445151 389279 1-6 20: 73 147 189 292 133 103 293 102 205 117 148 190 307 294 75 74 149 101 59 131 0.992 11.05 -1.7 99 98 98 99 292 48.7 8.555 -0.029 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1018 Uracil 11.1491 1330.7 2.4 scans 47% 241 m/z 18% 0.00363% 481 1.0 30 1322 0.00398% 12310 12310 13490 0-0 4: 241 255 256 99 0.972 11.15 0.1 92 94 94 97 256 10.3 11.826 0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1162 Fumaric acid 11.3648 1343.6 2.5 scans 85% 245 m/z 1.2% 0.0552% 502 1.0 112 19798 0.318% 187316 177938 1077852 0-4 18: 245 73 147 246 143 75 83 247 148 133 149 84 155 53 61 74 59 157 0.995 11.39 -1.7 90 89 89 89 245 58.0 26.910 -0.028 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4648 1349.7 3.1 scans 55% 57 m/z 1.3% 0.0561% 511 1.0 99 18280 0.0792% 190303 182841 268446 2-0 16: 57 97 145 115 129 127 69 109 111 59 83 128 71 87 72 98 0.982 11.45 1.2 90 87 94 97 145 27.1 7.518 0.019 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN WTF2-N1024 Contamination 10.96min 11.4827 1350.7 2.9 scans 69% 84 m/z (204) 0.71% 0.103% 513 1.2 138 34856 351203 343048 1-2 15: 84 161 162 92 119 65 82 51 63 78 91 64 106 104 93 0.910 10.96 31.7 83 83 94 99 161 33.4 5.872 0.527 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1160 Serine 11.5163 1352.8 2.6 scans 89% TIC 0.18% 0.618% 516 0.7 328 133621 2097573 1756070 4-1 0.950 11.56 -2.4 99 98 95 99 306 32.3 0.971 -0.041 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1022 Thymine 11.6005 1357.8 2.6 scans 61% 255 m/z 5.4% 0.00648% 524 1.0 38 4571 21985 21985 1-0 3: 255 256 270 1.000 11.60 0.0 97 97 87 97 270 12.9 11.628 0.002 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1024 Threonine 11.9225 1377.2 2.5 scans 95% TIC 0.50% 0.191% 555 0.8 202 49086 0.220% 650486 633342 745684 5-0 0.995 11.92 0.1 100 99 99 100 320 18.0 0.792 0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1148 Glutamine?? 13.2861 1462.0 2.9 scans 79% TIC 2.7% 0.0231% 684 1.5 69 9062 0.0669% 78544 77586 226756 1-1 0.982 13.35 -3.9 87 85 86 93 257 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1146 Malic acid 13.5260 1477.1 2.4 scans 96% 73 m/z 0.13% 0.523% 707 1.0 350 182620 1775231 1752928 0-1 20: 73 147 233 245 133 75 189 148 190 55 175 74 149 191 101 335 234 59 217 131 0.987 13.62 -5.7 100 99 98 99 350 8.2 0.055 -0.091 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1142 Erythritol/Threitol 13.7091 1488.7 3.0 scans 75% 73 m/z 3.5% 0.0267% 725 1.1 72 7071 0.431% 90519 90519 1460862 0-0 14: 73 217 147 307 205 103 204 189 117 191 218 133 148 74 0.953 13.89 -11.4 92 92 86 93 320 7.3 1.022 -0.181 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.7428 1490.8 2.7 scans 34% 243 m/z 15% 0.00546% 728 1.2 32 1646 18533 18347 0-2 4: 243 100 115 128 0.894 13.81 -4.0 82 86 59 85 243 16.2 25.743 -0.063 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1140 Aspartic acid 14.0174 1508.5 2.8 scans 72% 232 m/z 0.75% 0.120% 754 1.0 154 33108 408792 391584 1-2 15: 232 73 233 100 218 234 74 188 202 216 117 149 221 70 334 0.837 14.09 -4.6 90 87 86 96 349 7.2 0.218 -0.070 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1032 GABA 14.1858 1519.7 2.6 scans 90% 174 m/z 0.56% 0.146% 770 1.0 173 43777 0.150% 496188 477875 508421 0-2 20: 174 304 73 147 175 305 75 176 86 59 306 246 130 216 143 100 133 172 148 74 1.000 14.19 -0.1 99 98 97 98 304 52.5 9.184 -0.002 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6087 1547.7 2.5 scans 92% TIC 0.82% 0.0991% 810 1.3 148 30105 336169 318927 1-1 0.999 14.62 -0.9 98 97 95 97 409 10.2 0.472 -0.012 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7382 1556.3 2.7 scans 64% 174 m/z 0.64% 0.105% 822 1.0 145 38569 357122 346067 1-1 18: 174 175 86 176 250 100 59 130 118 251 117 162 87 144 116 101 160 102 0.964 14.16 38.0 91 94 89 99 250 26.9 3.418 0.573 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3790 1598.8 2.6 scans 76% 217 m/z 1.6% 0.0391% 883 1.0 99 14730 0.0559% 132680 132680 189471 0-0 8: 217 73 218 219 133 189 129 284 0.902 15.44 -4.2 86 85 85 88 393 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1118 Phenylalanine 15.6020 1614.2 2.8 scans 42% 218 m/z 7.1% 0.00918% 904 1.0 43 3467 31123 30451 0-1 5: 218 192 204 219 100 0.920 15.66 -4.0 85 87 60 87 294 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1038 Xylose 15.8872 1634.0 >3 scans 76% TIC 4.3% 0.0188% 931 1.1 62 5756 0.124% 63892 63376 420294 1-0 0.972 15.89 -0.2 92 91 86 94 307 17.5 7.867 -0.003 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1040 Xylose 16.0019 1642.0 2.6 scans 88% 73 m/z 1.0% 0.0868% 942 1.1 138 24777 294214 270954 1-1 20: 73 103 307 217 147 308 277 218 309 133 160 205 104 117 74 129 75 204 234 89 0.997 16.00 -0.1 97 96 96 98 307 37.9 7.571 -0.002 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1042 Ribose 16.1018 1648.9 2.8 scans 84% 73 m/z (163) 2.4% 0.0398% 952 0.9 86 10106 0.190% 135145 135045 643999 1-0 15: 73 103 307 217 147 160 308 277 204 189 74 104 133 309 105 0.991 16.10 -0.1 94 95 94 97 307 24.2 7.991 -0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.2249 1657.5 2.9 scans 35% 290 m/z 4.3% 0.00977% 963 1.9 39 5699 0.00992% 33117 31553 33624 1-0 4: 290 291 158 292 0.902 16.28 -3.6 88 91 59 93 392 7.3 3.536 -0.051 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1110 Ribose 16.3154 1663.8 2.7 scans 58% 103 m/z (217) 3.3% 0.0252% 972 0.8 69 7507 85731 78758 1-1 8: 103 307 308 160 189 309 89 148 0.954 16.38 -4.2 82 82 82 90 467 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6111 1684.3 2.6 scans 90% 73 m/z 1.0% 0.0937% 1000 1.3 143 23238 0.151% 317757 317757 511810 0-0 20: 73 307 319 147 103 217 308 320 205 306 129 218 321 277 229 309 117 74 291 157 0.995 16.68 -4.5 99 99 98 99 497 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9215 1706.2 3.0 scans 74% TIC 3.3% 0.0232% 1030 1.5 80 7320 0.354% 78674 78674 1199873 0-0 0.988 16.99 -4.9 92 91 89 92 422 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9941 1711.5 3.1 scans 85% TIC 1.4% 0.0850% 1037 1.4 121 17340 0.404% 288160 288160 1369346 0-0 0.971 17.06 -5.0 95 95 91 95 510 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1044 Putrescine 17.1866 1725.5 2.7 scans 67% 174 m/z (73) 1.4% 0.0303% 1055 1.0 79 16947 102922 97241 1-1 12: 174 175 214 176 86 172 200 100 130 146 361 173 0.977 17.19 -0.1 93 95 92 95 376 5.3 0.452 -0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1096 Putrescine 17.1866 1725.5 2.7 scans 60% 174 m/z 1.4% 0.0266% 1055 1.0 75 16743 90186 85207 1-1 12: 174 175 214 176 86 172 200 100 130 146 361 173 1.000 17.25 -4.5 97 97 96 97 458 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3760 1739.3 2.6 scans 57% 333 m/z 4.7% 0.0177% 1073 1.0 62 5192 60055 60055 1-0 5: 333 292 307 293 334 0.962 17.44 -5.0 88 89 86 89 511 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5644 1753.1 2.6 scans 91% 217 m/z 0.33% 0.215% 1091 1.1 212 75339 0.462% 729023 657895 1565936 5-1 18: 217 73 218 147 219 450 74 305 232 129 451 257 191 148 149 169 243 204 0.994 17.63 -4.9 96 95 94 96 450 32.0 2.275 -0.068 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6906 1762.3 3.7 scans 82% TIC 0.72% 0.179% 1103 0.7 166 34215 0.284% 606993 559154 962610 1-0 0.931 17.70 -0.6 96 95 94 97 375 15.3 0.854 -0.008 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1241 1794.0 3.0 scans 79% TIC 1.0% 0.0865% 1144 1.1 123 23711 0.169% 293301 232510 572821 3-3 0.949 18.13 -0.0 93 93 91 96 372 13.5 1.211 -0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1048 Citric acid 18.2430 1802.7 2.7 scans 54% 273 m/z 4.0% 0.0284% 1155 1.1 73 6164 0.0330% 96494 84435 111853 6-1 11: 273 363 274 149 211 275 221 466 183 376 364 0.804 18.24 -0.1 97 98 77 98 465 12.9 3.086 -0.001 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1076 Pregnane?? 18.7776 1843.5 2.5 scans 96% 345 m/z 0.072% 1.30% 1206 1.0 534 341400 4424920 4190209 1-1 20: 345 73 346 255 147 347 334 204 256 191 419 148 133 435 74 372 257 75 239 348 0.999 18.86 -6.2 100 99 99 99 537 38.9 0.532 -0.080 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1072 Fructose 18.9701 1858.2 3.2 scans 96% 73 m/z 0.021% 7.10% 1224 0.6 1081 1176677 24066795 22135922 1-1 20: 73 307 217 103 147 308 277 218 133 309 364 74 189 205 117 219 104 89 148 75 1.000 19.03 -4.8 100 98 99 100 364 122.2 1.284 -0.063 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1052 Fructose 19.0911 1867.4 3.3 scans 97% 73 m/z 0.029% 4.99% 1236 0.6 901 842989 16918850 16027553 1-1 20: 73 217 307 103 147 308 218 277 309 364 205 74 133 117 89 262 219 148 104 189 0.999 19.10 -1.0 100 99 100 100 364 99.1 1.212 -0.013 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1054 Galactose 19.2111 1876.6 >5 scans 56% TIC 2.9% 0.0312% 1247 1.2 83 8544 16.6% 105841 105841 56265219 0-0 0.928 19.22 -0.4 86 86 86 92 376 0.0 0.000 -0.005 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1064 Mannose 19.3205 1884.9 4.1 scans 98% 319 m/z 0.011% 16.4% 1258 0.4 1507 2077432 55738867 55738867 0-0 20: 319 73 205 147 160 320 217 103 206 321 117 157 129 133 229 74 148 189 204 207 0.997 19.45 -10.3 100 99 99 100 319 594.1 15.594 -0.135 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1066 Glucose 19.3205 1884.9 4.1 scans 53% 319 m/z (273) 0.011% 8.89% 1258 0.4 1107 2077432 30152836 30152836 0-0 20: 319 73 205 147 160 320 217 103 206 321 117 157 129 133 229 74 148 189 204 207 0.998 19.40 -6.0 85 86 73 87 319 594.1 28.867 -0.079 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1059 Glucose 19.5425 1902.0 2.7 scans 97% TIC 0.033% 3.56% 1279 0.6 824 741700 12068513 12053453 1-0 0.996 19.55 -0.7 100 100 99 100 376 32.1 0.152 -0.009 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7119 1915.6 2.7 scans 80% TIC 1.8% 0.0458% 1295 1.7 97 13261 0.142% 155394 137176 481305 1-1 0.997 19.79 -6.3 85 85 86 86 434 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2801 1961.3 2.6 scans 60% 204 m/z 2.9% 0.0267% 1349 1.3 75 8466 90631 90498 0-1 7: 204 191 205 206 129 192 218 0.693 20.41 -10.7 82 81 71 85 217 23.5 9.659 -0.134 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6711 2076.4 3.1 scans 97% 305 m/z 0.020% 9.20% 1481 0.5 1278 1206775 31216697 30949617 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 367 133 129 291 148 1.000 21.75 -6.5 100 99 99 100 507 104.0 0.665 -0.078 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8594 2092.2 3.3 scans 96% 73 m/z 0.17% 0.805% 1499 1.1 362 139925 2731739 2612032 1-2 20: 73 319 205 147 320 217 103 321 74 206 117 133 148 204 229 218 89 157 129 75 0.998 21.93 -5.9 97 95 97 99 656 7.7 0.045 -0.071 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1825 2120.1 2.7 scans 91% TIC 0.74% 0.145% 1530 1.1 176 33420 0.173% 492931 491085 586378 1-0 0.978 22.19 -0.4 98 98 93 98 396 75.4 18.349 -0.004 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6707 2162.8 3.1 scans 92% 204 m/z 1.0% 0.0763% 1576 1.2 119 22813 0.150% 258945 247305 508421 2-0 20: 204 73 205 145 217 147 117 206 361 74 263 249 129 131 103 149 75 189 362 219 0.998 22.71 -3.7 95 94 95 96 518 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1301 2294.4 2.6 scans 72% 204 m/z 9.4% 0.00622% 1715 1.1 35 2627 21098 20586 0-2 1: 204 0.947 24.01 10.9 80 82 72 81 490 0.0 0.000 0.120 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6530 2343.9 3.8 scans 97% 73 m/z 0.69% 0.267% 1765 0.5 186 35750 905301 893603 1-1 20: 73 331 147 191 217 421 262 307 205 103 319 305 74 332 422 333 117 204 148 218 1.000 24.65 0.3 98 97 97 98 466 10.7 0.332 0.003 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5323 2528.8 3.6 scans 80% TIC 2.7% 0.0579% 1943 1.9 92 8886 196441 188150 1-2 0.914 26.57 -4.3 95 94 84 94 512 32.6 12.470 -0.041 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN WTF2-N1032 Sucrose 26.6490 2540.9 2.6 scans 82% 361 m/z 9.7% 0.0134% 1954 1.2 53 2546 0.0409% 45443 41166 138629 1-5 11: 361 217 73 437 273 438 363 149 362 129 218 0.991 26.87 -22.8 83 84 79 85 451 6.2 1.367 -0.221 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1020 Sucrose 27.4087 2620.0 9.7 scans 9.8% 437 m/z (361) 0.045% 3.79% 2026 1.4 486 543699 12876497 12792307 1-0 18: 437 451 439 320 359 71 205 245 440 291 158 177 220 99 463 349 421 442 0.852 27.46 -5.6 93 96 93 98 437 303.9 39.178 -0.052 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1010 Sucrose 27.4087 2620.0 9.7 scans 100% 437 m/z 0.0078% 38.1% 2026 1.4 1559 3180033 129198293 128353560 1-0 18: 437 451 439 320 359 71 205 245 440 291 158 177 220 99 463 349 421 442 0.997 27.58 -18.2 100 99 98 99 437 301.9 3.775 -0.170 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN TAB_REP6-N1070 Sucrose 27.4129 2620.5 9.6 scans 91% 361 m/z (437) 0.0078% 36.2% 2027 1.2 1492 3159573 122912166 121687671 1-0 20: 361 362 363 319 359 71 440 365 332 221 450 173 333 435 322 154 349 289 348 187 1.000 27.41 0.4 89 86 73 98 451 0.0 0.000 0.003 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1018 Sucrose 27.4129 2620.5 9.6 scans 49% 361 m/z (73) 0.0080% 19.5% 2027 1.2 1095 3095862 66220781 65561066 1-0 20: 361 362 363 319 359 71 440 365 332 221 450 173 333 435 322 154 349 289 348 187 0.858 27.47 -6.0 92 95 58 93 437 303.9 7.774 -0.057 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1014 Sucrose 27.4193 2621.2 9.7 scans 91% TIC 0.0078% 32.9% 2027 0.8 1497 3163336 37.5% 111653435 108186871 127105163 1-0 1.000 27.49 -7.5 100 100 99 100 437 302.3 4.112 -0.071 G:\GCMS data\Nicotiana Panel polar\BNWA_REP6.FIN LQC1-N1008 Sucrose 27.4392 2623.3 >8 scans 98% 103 m/z 0.0080% 33.9% 2029 0.4 1538 3088855 39.6% 115185534 111172879 134223052 1-0 8: 103 129 115 335 176 153 381 66 1.000 27.59 -16.2 100 99 98 99 437 291.4 3.613 -0.152 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN EXBLK5S-N1006 Contamination 6.5888 1061.2 2.7 scans 79% 207 m/z 0.58% 0.164% 48 1.5 137 38129 0.274% 433991 327099 722260 13-5 18: 207 73 295 208 209 296 191 297 279 74 189 193 192 177 133 210 298 280 0.980 6.63 -2.1 99 99 96 99 295 41.8 9.301 -0.036 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.7582 1071.2 >3 scans 52% 147 m/z 3.2% 0.0280% 64 1.1 65 6790 0.170% 73830 72663 448118 0-2 6: 147 73 117 190 191 118 0.965 6.82 -3.7 88 85 81 97 295 3.2 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1194 Alanine 7.3769 1107.9 5.8 scans 79% 116 m/z (119) 1.0% 0.115% 123 0.5 93 21131 0.196% 305401 305401 516653 0-0 7: 116 73 147 117 190 118 59 0.993 7.40 -1.6 95 97 96 97 283 3.4 0.134 -0.027 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN A-KETO~2-N1006 Contamination?? 7.8767 1137.5 2.6 scans 65% 156 m/z 3.9% 0.0204% 170 1.4 54 5681 0.0247% 53840 46369 65109 0-10 4: 156 55 157 54 0.963 7.96 -4.7 97 97 91 97 156 30.3 31.499 -0.080 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1192 Contamination 7.9598 1142.4 2.7 scans 78% 73 m/z 3.0% 0.0357% 178 1.1 79 7219 0.0578% 94149 93017 152360 2-0 18: 73 147 133 235 220 152 86 59 72 148 146 167 100 103 160 134 89 74 0.988 7.99 -1.8 95 95 92 96 235 15.8 4.010 -0.029 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN WTF2-N1026 Cadaverine NC 8.1819 1155.6 2.9 scans 64% 174 m/z 4.8% 0.0144% 199 1.4 46 4600 0.0171% 38062 34737 45075 3-3 11: 174 216 175 86 73 142 59 100 160 130 176 0.980 7.74 26.4 93 95 87 96 216 11.5 6.270 0.446 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1188 Contamination 8.3723 1166.9 7.1 scans 83% TIC 2.0% 0.0648% 217 1.4 82 10935 0.168% 170828 157613 442846 5-0 0.990 8.41 -2.5 99 98 90 99 369 25.8 9.866 -0.043 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1190 Contamination 8.4144 1169.4 3.3 scans 68% 73 m/z 3.0% 0.0489% 221 0.8 69 7336 0.0634% 128958 109306 167122 6-3 11: 73 211 140 198 77 126 69 70 74 113 72 0.974 8.48 -4.1 88 87 83 90 309 7.2 1.080 -0.070 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1186 Phosphate 8.5228 1175.8 2.5 scans 47% 241 m/z 3.4% 0.0187% 232 1.2 54 6550 49475 47632 1-1 8: 241 242 211 163 256 133 195 243 0.730 8.56 -2.2 84 81 65 95 299 0.0 0.000 -0.038 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1184 Valine 9.1499 1212.8 3.0 scans 81% 144 m/z 1.4% 0.0473% 291 1.0 80 15442 0.0538% 124929 111355 141816 7-3 10: 144 73 218 145 147 219 146 100 74 220 0.995 9.19 -2.2 98 97 95 98 218 24.4 9.444 -0.038 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1180 Benzoic acid 9.7202 1246.2 3.0 scans 80% 179 m/z 2.1% 0.0485% 345 1.5 78 10264 128107 116986 2-4 10: 179 135 105 77 180 51 136 106 181 76 0.962 9.76 -2.3 95 93 90 98 194 12.0 2.344 -0.039 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1178 Ethanolamine 9.9906 1262.0 3.2 scans 90% 174 m/z 0.57% 0.138% 371 0.9 131 38612 0.478% 365926 318577 1260001 4-0 20: 174 73 175 100 147 86 176 133 59 130 262 74 172 114 131 101 117 148 134 116 0.997 10.03 -2.5 99 99 98 99 262 14.6 1.249 -0.043 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN VEN77_S6-N1002 Glycerol 10.0579 1265.9 2.8 scans 91% TIC 0.065% 1.21% 377 1.5 389 340310 1.32% 3198014 3125247 3479501 0-1 0.992 10.09 -2.1 100 99 98 100 299 234.3 36.414 -0.036 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LACTIC~1-N1034 Glycerol 10.0853 1267.5 3.2 scans 77% 205 m/z (299) 0.50% 0.322% 380 0.7 191 44041 0.363% 850151 768504 956863 1-3 17: 205 147 117 103 218 206 148 204 175 129 101 149 219 217 118 293 220 0.995 10.11 -1.5 93 93 93 99 293 12.1 0.402 -0.025 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2242 1275.7 2.6 scans 89% 73 m/z 0.77% 0.0925% 393 1.2 119 28920 243887 236027 1-2 19: 73 198 77 211 199 74 70 381 289 72 200 170 92 143 142 59 189 56 63 0.989 10.24 -0.9 98 98 96 98 381 13.0 1.195 -0.016 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1176 Isoleucine 10.4167 1286.9 2.9 scans 68% 158 m/z 4.0% 0.0256% 412 1.2 58 5552 0.0284% 67703 67703 74862 0-0 8: 158 218 117 159 116 232 205 219 0.985 10.46 -2.5 84 82 79 90 260 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1012 Proline 10.5020 1291.9 2.8 scans 88% 142 m/z (180) 0.36% 0.143% 420 1.1 142 61819 0.727% 378190 374582 1916362 1-0 13: 142 73 143 216 144 72 74 66 217 141 68 244 70 0.998 10.53 -1.9 97 98 97 99 216 27.3 3.701 -0.031 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5840 1296.7 2.7 scans 96% 147 m/z 0.091% 0.735% 427 0.9 329 243439 2.29% 1939462 1879999 6036408 2-0 20: 147 73 245 148 75 149 83 74 133 246 115 143 59 84 170 126 58 72 215 131 0.999 10.60 -1.1 99 98 98 99 245 76.7 5.434 -0.018 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1170 Glycine 10.6430 1300.2 3.0 scans 79% TIC 0.91% 0.0597% 433 1.0 111 24340 2.42% 157564 157564 6379086 0-0 0.992 10.69 -2.6 99 98 96 98 276 16.3 2.137 -0.044 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7261 1305.2 2.8 scans 95% TIC 0.041% 1.80% 441 1.2 491 531663 4750503 4504267 1-2 0.986 10.76 -1.9 99 98 96 99 251 115.3 5.531 -0.032 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1168 Glyceric acid 11.0049 1322.0 2.6 scans 94% 73 m/z 0.41% 0.292% 467 1.2 208 53321 770006 719800 1-4 20: 73 147 292 189 133 103 205 293 190 102 117 148 307 74 149 75 294 59 101 191 0.996 11.05 -2.9 100 99 99 99 292 63.0 9.153 -0.049 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0649 1325.6 2.4 scans 58% 184 m/z 8.3% 0.0113% 473 1.0 44 2662 30000 30000 0-0 5: 184 134 174 285 86 0.937 11.06 0.1 91 91 74 93 285 14.8 11.092 0.002 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1018 Uracil 11.1259 1329.3 2.6 scans 72% 241 m/z 6.4% 0.0144% 479 1.5 47 3452 38029 38029 0-1 6: 241 99 256 255 242 113 0.974 11.15 -1.3 95 93 86 99 256 15.8 11.206 -0.022 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1164 Itaconic acid 11.2038 1333.9 2.6 scans 80% TIC 3.1% 0.0243% 486 0.9 58 7159 0.0364% 64262 53088 95950 2-2 0.976 11.25 -3.0 91 91 88 91 259 12.3 4.430 -0.048 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1162 Fumaric acid 11.3553 1343.1 2.5 scans 97% 245 m/z 0.085% 0.800% 501 0.9 359 259259 2110616 2063345 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 155 74 84 53 59 61 157 58 1.000 11.39 -2.2 100 99 99 99 245 204.5 32.414 -0.038 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4500 1348.8 3.0 scans 42% 57 m/z (84) 1.5% 0.0668% 510 1.2 93 14407 0.0743% 176329 172426 195854 1-0 17: 57 97 145 115 55 127 69 56 111 129 128 109 83 71 87 146 98 0.868 11.45 0.3 86 85 92 99 145 26.2 7.883 0.004 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4553 1349.1 3.0 scans 45% 84 m/z (57) 1.0% 0.0710% 510 1.3 96 21248 0.122% 187182 182504 321590 2-0 19: 84 133 162 161 92 82 119 51 118 85 130 78 63 134 91 81 67 104 64 0.944 10.96 30.1 88 93 90 92 161 24.3 6.344 0.499 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1160 Serine 11.4984 1351.7 2.6 scans 94% TIC 0.25% 0.426% 514 1.2 252 87839 0.546% 1123060 1086879 1439248 0-1 1.000 11.56 -3.5 100 99 99 99 306 27.1 1.157 -0.059 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN BRA4_R~2-N1008 Thymine 11.5878 1357.1 2.6 scans 55% 255 m/z 4.6% 0.0122% 523 1.1 43 4743 32185 30388 1-1 5: 255 270 256 157 257 0.800 11.58 0.3 95 95 86 99 270 13.9 10.530 0.004 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7194 1365.0 3.3 scans 73% 147 m/z 3.7% 0.0359% 535 1.1 65 5903 0.0431% 94679 82185 113611 0-3 10: 147 73 247 116 101 59 148 103 131 102 0.914 11.79 -3.9 85 84 85 92 262 7.0 1.145 -0.066 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1024 Threonine 11.9087 1376.4 2.6 scans 93% 73 m/z 0.63% 0.198% 553 1.2 174 34967 0.232% 524019 491393 611549 1-1 20: 73 218 219 117 291 292 101 147 220 100 203 74 75 293 57 221 320 132 129 202 0.999 11.92 -0.7 100 99 99 99 320 16.7 0.917 -0.012 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2766 1461.4 2.6 scans 17% 247 m/z (155) 3.8% 0.0212% 683 1.2 56 5785 55971 55971 0-0 10: 247 248 259 233 321 349 203 69 249 163 0.647 13.31 -1.9 85 92 41 88 349 10.3 3.308 -0.029 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1148 Glutamine?? 13.2945 1462.6 2.7 scans 94% 155 m/z 0.19% 0.366% 685 0.9 235 112389 0.388% 966792 919271 1022763 2-1 20: 155 73 147 156 229 139 100 157 59 75 74 148 84 131 257 103 132 230 56 58 0.989 13.35 -3.3 100 99 99 99 257 18.1 0.594 -0.053 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1146 Malic acid 13.5575 1479.1 3.3 scans 98% 73 m/z 0.016% 7.96% 710 0.5 991 1315540 20996131 20943639 1-0 20: 73 147 233 245 133 189 190 75 148 335 191 175 74 55 101 149 234 217 265 307 0.999 13.62 -3.7 100 100 99 100 350 26.2 0.070 -0.059 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1142 Erythritol/Threitol 13.7101 1488.7 2.8 scans 76% 73 m/z 4.5% 0.0238% 725 1.4 61 4938 4.45% 62841 62841 11730137 0-0 10: 73 217 147 205 103 307 204 117 189 218 0.959 13.89 -11.4 87 87 84 91 320 4.6 0.569 -0.180 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1144 Contamination Parabanica acid 13.7480 1491.1 2.8 scans 44% 115 m/z 15% 0.00647% 728 0.9 31 1473 0.00655% 17076 17076 17266 0-0 4: 115 100 243 128 0.987 13.81 -3.7 86 88 66 88 243 14.5 22.255 -0.058 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1028 Aspartic acid 14.0194 1508.7 2.5 scans 34% 232 m/z (73) 0.41% 0.137% 754 1.1 149 54195 362004 353186 1-1 17: 232 233 218 100 234 202 188 306 216 334 204 142 174 101 292 203 189 0.939 14.02 0.2 94 95 92 99 258 5.8 0.000 0.002 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0289 1509.3 3.6 scans 80% 73 m/z (232) 0.19% 0.520% 755 1.0 243 115874 1371537 1322103 1-1 17: 73 147 75 74 59 133 148 72 149 131 70 114 60 99 134 98 159 0.989 14.11 -5.4 96 97 96 99 273 9.4 0.149 -0.081 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1140 Aspartic acid 14.0289 1509.3 3.6 scans 66% 73 m/z (156) 0.27% 0.425% 755 1.0 220 80265 1121577 1081153 1-1 17: 73 147 75 74 59 133 148 72 149 131 70 114 60 99 134 98 159 0.965 14.09 -3.8 96 98 97 98 349 9.8 0.200 -0.058 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1134 GABA 14.1846 1519.6 2.6 scans 72% 174 m/z (226) 0.92% 0.0831% 770 1.0 116 24124 0.129% 219197 219197 340042 0-0 15: 174 304 147 175 305 176 86 246 306 172 100 130 148 133 149 0.996 14.24 -3.8 94 95 91 95 304 39.1 11.311 -0.057 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1032 GABA 14.1846 1519.6 >3 scans 82% TIC 0.88% 0.0766% 770 1.0 125 25176 1.10% 201940 201940 2899585 0-0 0.995 14.19 -0.2 98 97 95 97 304 40.4 10.533 -0.003 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3625 1531.4 2.6 scans 45% 292 m/z 9.5% 0.00973% 787 0.8 39 2334 25663 25663 0-0 3: 292 220 293 0.923 14.69 -21.8 80 82 68 82 409 0.0 0.000 -0.330 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6087 1547.7 2.5 scans 91% 73 m/z 0.98% 0.102% 810 1.1 128 22654 270802 249177 1-2 20: 73 292 147 220 205 293 117 217 103 294 148 221 319 74 133 291 102 149 206 131 1.000 14.62 -0.9 98 97 96 97 409 10.1 0.614 -0.012 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7381 1556.3 2.8 scans 77% 174 m/z 0.30% 0.256% 822 1.1 193 72107 675779 668474 1-0 20: 174 73 86 175 176 250 91 59 100 130 251 65 162 117 121 131 87 160 158 252 0.970 14.16 38.0 91 93 91 99 250 36.0 3.477 0.573 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1126 Pyrazine 15.0716 1578.4 2.6 scans 84% TIC 2.7% 0.0448% 854 1.2 87 8134 118147 115997 1-1 0.982 15.13 -4.0 92 90 84 96 344 26.3 9.171 -0.060 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1036 Glutamic acic 15.5030 1607.4 2.3 scans 73% 246 m/z 4.4% 0.0145% 895 1.0 51 5027 38397 38397 0-0 5: 246 128 247 248 348 0.993 15.50 -0.0 96 95 93 99 363 5.8 1.264 0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1118 Phenylalanine 15.6051 1614.5 2.6 scans 82% 218 m/z (267) 1.4% 0.0743% 905 1.0 103 15176 195915 179675 1-1 9: 218 192 100 91 220 266 132 294 131 0.987 15.66 -3.7 91 92 91 95 294 7.4 0.514 -0.054 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1038 Xylose 15.8903 1634.3 5.3 scans 68% TIC 5.3% 0.0163% 932 1.4 51 4138 0.0939% 43003 43003 247519 0-0 0.961 15.89 0.1 88 86 85 94 307 14.5 8.101 0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1040 Xylose 16.0049 1642.2 2.6 scans 88% 73 m/z 1.3% 0.0804% 943 1.0 114 17009 0.115% 212089 205262 303138 3-0 20: 73 103 307 217 147 160 308 218 189 277 204 74 205 309 104 105 148 59 201 234 0.988 16.00 0.1 98 98 95 98 307 31.8 7.865 0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1042 Ribose 16.1038 1649.1 2.8 scans 79% 73 m/z 2.7% 0.0378% 952 0.8 77 8181 0.250% 99701 98933 658996 1-0 14: 73 103 307 217 160 189 147 308 218 277 219 89 74 133 0.989 16.10 0.1 92 91 91 95 307 22.5 8.618 0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.2270 1657.6 2.7 scans 29% 290 m/z 3.2% 0.0142% 964 1.7 43 6793 37513 35488 1-2 5: 290 291 392 292 144 0.710 16.28 -3.5 89 88 60 95 392 9.0 4.360 -0.049 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1108 Ribose 16.3175 1663.9 2.6 scans 73% 103 m/z 1.7% 0.0695% 972 0.8 100 12538 183256 163187 2-1 13: 103 307 217 189 308 160 309 277 105 218 104 89 129 0.971 16.38 -4.0 91 91 87 92 467 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6131 1684.5 2.6 scans 89% TIC 1.5% 0.0934% 1000 1.7 116 14614 0.124% 246245 229831 326862 1-0 0.991 16.68 -4.3 99 98 96 98 497 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9235 1706.3 2.8 scans 39% 217 m/z 12% 0.00832% 1030 1.0 37 1833 0.0926% 21935 21935 244092 0-0 5: 217 103 307 205 319 0.840 16.99 -4.8 80 84 56 83 422 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9972 1711.7 2.9 scans 86% TIC 1.3% 0.100% 1037 1.5 119 16094 0.459% 265721 259459 1209918 0-1 0.977 17.06 -4.8 94 94 92 94 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1044 Putrescine 17.1897 1725.7 2.7 scans 73% 174 m/z (73) 1.6% 0.0325% 1055 1.1 71 13418 85767 85767 1-0 10: 174 175 176 214 172 86 361 100 200 130 0.978 17.19 0.1 94 96 93 96 376 4.7 0.437 0.002 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1096 Putrescine 17.1897 1725.7 2.7 scans 63% 174 m/z 1.6% 0.0280% 1055 1.1 66 13427 73898 73898 1-0 10: 174 175 176 214 172 86 361 100 200 130 1.000 17.25 -4.3 97 97 96 97 458 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5664 1753.2 2.7 scans 87% 217 m/z 0.62% 0.109% 1091 1.2 133 35402 0.287% 289395 284097 756528 2-1 18: 217 73 218 147 450 219 451 191 305 74 232 169 452 129 149 257 148 230 0.996 17.63 -4.8 94 93 92 94 450 21.3 2.568 -0.066 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6990 1762.9 2.7 scans 72% 334 m/z (319) 1.1% 0.150% 1104 0.9 144 19687 0.213% 396826 366523 561465 3-2 15: 334 204 256 129 335 375 255 336 183 167 166 215 267 376 67 0.998 17.70 0.0 94 95 93 96 375 18.9 1.730 -0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1046 Shikimic acid 18.1251 1794.0 2.6 scans 79% 204 m/z 0.92% 0.0826% 1144 1.2 112 24070 217925 207683 3-0 13: 204 205 357 206 254 255 372 358 462 282 373 167 331 0.974 18.13 0.0 93 93 90 94 372 14.0 1.552 0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1082 Citric acid 18.2503 1803.3 2.7 scans 88% TIC 0.45% 0.304% 1156 1.3 216 48773 0.431% 802447 768395 1136110 1-1 0.976 18.32 -5.4 98 97 95 99 465 33.1 2.333 -0.071 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1076 Pregnane?? 18.7859 1844.2 2.4 scans 97% 345 m/z 0.028% 3.46% 1207 0.8 761 784621 9132632 9020490 0-1 20: 345 73 346 255 147 347 334 204 191 256 435 419 372 133 74 148 257 75 348 239 0.998 18.86 -5.5 100 99 99 99 537 59.2 0.609 -0.072 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1074 Adenine 18.8795 1851.3 2.9 scans 48% 264 m/z 2.4% 0.0204% 1216 1.1 54 9176 0.0936% 53985 50044 246728 1-0 7: 264 265 279 266 280 192 84 0.983 18.94 -4.6 94 93 86 95 415 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1072 Fructose 18.9690 1858.1 3.0 scans 97% 73 m/z 0.022% 7.30% 1224 0.6 983 997085 19245741 18392883 1-1 20: 73 307 217 103 147 308 277 218 133 309 364 205 74 189 117 104 219 89 148 75 1.000 19.03 -4.9 100 98 99 100 364 113.4 1.336 -0.064 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1052 Fructose 19.0889 1867.3 2.7 scans 97% 73 m/z 0.031% 4.81% 1236 0.6 816 707857 12697079 12555030 1-0 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 89 262 117 219 148 189 104 0.999 19.10 -1.1 100 99 100 100 364 94.3 1.339 -0.015 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1056 Glucose 19.1436 1871.4 3.0 scans 35% 319 m/z 2.9% 0.0219% 1241 1.1 69 7537 6.44% 57741 57741 16975749 0-0 7: 319 160 205 320 217 321 161 0.838 19.33 -14.4 83 84 57 84 364 5.9 0.728 -0.188 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1054 Galactose 19.2005 1875.8 2.8 scans 69% 319 m/z 1.2% 0.0914% 1246 1.0 124 18109 10.8% 241167 241167 28468648 0-0 12: 319 205 160 320 321 117 133 229 157 149 161 305 0.991 19.22 -1.2 94 92 93 98 376 4.6 0.139 -0.016 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1064 Mannose 19.3015 1883.5 2.9 scans 98% 319 m/z 0.017% 9.10% 1256 0.6 1138 1243183 24009159 23997560 1-0 20: 319 73 205 147 320 160 217 321 103 206 117 229 74 133 129 157 148 189 204 161 1.000 19.45 -11.7 100 99 99 100 319 447.8 15.546 -0.154 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1059 Glucose 19.5319 1901.1 2.8 scans 96% TIC 0.072% 1.93% 1278 0.6 517 306139 5099296 4948459 1-1 0.998 19.55 -1.6 100 99 99 99 376 20.3 0.155 -0.020 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1061 Lysine 19.6066 1907.1 2.6 scans 64% 317 m/z 5.5% 0.0213% 1285 1.0 58 4033 56399 56399 1-0 7: 317 174 156 318 128 100 175 0.966 19.61 -0.5 90 90 81 92 434 7.8 1.806 -0.006 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN BRA4_R~2-N1010 Tyrosine 19.8065 1923.2 2.4 scans 55% 218 m/z 3.5% 0.0203% 1304 0.8 57 6245 53606 46779 3-2 5: 218 280 100 220 354 0.894 19.82 -0.9 89 90 74 96 382 5.6 0.974 -0.011 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1056 Ascorbic acid 19.8981 1930.6 2.6 scans 93% 73 m/z 0.49% 0.235% 1313 0.9 189 44869 0.384% 621885 602046 1012219 3-1 20: 73 332 147 333 205 117 374 334 359 449 345 133 74 149 331 259 361 303 375 103 0.996 19.99 -7.1 98 97 95 98 449 20.9 1.222 -0.088 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1052 Gluconic acid 2 20.5115 1979.9 2.9 scans 69% TIC 4.9% 0.0249% 1371 1.3 56 4466 0.0892% 65785 50553 235130 0-2 0.959 20.60 -6.8 84 85 78 85 613 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6584 2075.3 2.5 scans 99% 305 m/z 0.043% 4.10% 1480 0.8 826 512630 10827552 10827552 0-0 20: 305 73 217 318 147 191 306 319 265 204 218 307 432 433 320 129 133 367 148 291 1.000 21.75 -7.6 100 99 99 100 507 68.2 0.684 -0.091 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8615 2092.4 3.2 scans 97% 319 m/z 0.20% 0.845% 1499 1.1 320 107290 2228840 2169513 1-1 20: 319 73 205 147 320 217 103 321 206 74 117 229 157 148 89 129 291 75 191 263 0.997 21.93 -5.7 97 95 97 99 656 7.7 0.058 -0.069 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1845 2120.3 2.7 scans 89% TIC 0.55% 0.206% 1530 1.2 180 40026 0.243% 545230 545230 640545 0-0 0.972 22.19 -0.2 98 98 94 98 396 80.3 19.945 -0.002 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN BRA4_R~4-N1012 Spermidine 22.9000 2182.8 3.1 scans 76% 174 m/z 12% 0.0137% 1598 1.7 41 1758 0.0142% 36366 32188 37431 3-3 7: 174 200 201 73 418 86 172 0.961 22.90 -0.0 92 93 92 97 418 7.7 3.432 -0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN WTF2-N1036 C18:0 23.4050 2228.2 3.0 scans 84% 341 m/z 5.5% 0.0259% 1646 1.3 57 3980 0.0304% 68374 67082 80134 0-1 10: 341 117 132 342 129 75 145 55 356 57 0.973 22.89 46.4 83 90 77 91 356 8.7 2.338 0.516 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN BRA4_R~2-N1006 Spermidine 23.5103 2237.8 3.0 scans 85% TIC 4.8% 0.0418% 1656 0.7 72 4615 0.0655% 110239 97740 172657 1-13 0.993 23.51 0.1 97 97 97 97 490 6.3 0.746 0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1028 Glycerolgalactose 24.1321 2294.6 2.6 scans 90% 204 m/z 1.6% 0.0476% 1715 0.9 88 13243 125531 116774 5-2 19: 204 73 337 217 147 205 103 129 206 203 218 191 361 219 338 74 133 149 131 1.000 24.01 11.1 94 93 92 94 490 0.0 0.000 0.122 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6561 2344.2 3.1 scans 93% 73 m/z 0.78% 0.255% 1765 0.5 165 28354 673206 622969 2-1 20: 73 331 147 191 217 205 421 262 307 319 103 259 305 332 204 308 333 422 74 117 0.996 24.65 0.6 98 97 96 97 466 9.7 0.344 0.006 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4501 2520.4 2.6 scans 87% 73 m/z 4.7% 0.0234% 1935 1.0 60 4686 0.0406% 61731 58514 107021 8-1 12: 73 217 204 129 147 218 205 305 740 219 131 741 1.000 26.52 -7.2 88 88 82 88 740 8.5 2.010 -0.071 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5343 2529.1 2.8 scans 93% 512 m/z 2.7% 0.0579% 1943 1.1 92 8152 152623 152623 0-0 19: 512 455 73 513 247 456 57 483 514 349 219 248 457 263 497 423 74 484 191 1.000 26.57 -4.0 96 95 86 95 512 36.3 15.523 -0.039 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1020 Sucrose 27.4108 2620.3 7.3 scans 9.8% 437 m/z (361) 0.040% 3.85% 2027 0.9 475 546318 10169271 9957477 1-1 20: 437 451 438 452 453 440 71 220 293 464 334 323 406 466 381 407 465 443 382 395 0.773 27.46 -5.3 95 97 96 99 437 296.8 39.192 -0.050 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1010 Sucrose 27.4108 2620.3 7.3 scans 94% 437 m/z 0.0072% 36.4% 2027 0.9 1470 3064695 95994372 93995114 1-1 20: 437 451 438 452 453 440 71 220 293 464 334 323 406 466 381 407 465 443 382 395 0.997 27.58 -17.9 100 99 98 99 437 295.8 4.078 -0.168 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1018 Sucrose 27.4213 2621.4 7.0 scans 49% 363 m/z (73) 0.0070% 18.7% 2028 0.3 1067 3173277 49427794 48137219 1-1 20: 363 319 364 219 320 332 321 450 163 322 348 289 335 308 249 367 295 160 285 301 0.908 27.47 -5.1 89 93 55 91 437 296.8 7.808 -0.049 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1016 Sucrose 27.4318 2622.5 6.4 scans 49% 73 m/z (361) 0.013% 17.1% 2029 0.3 1086 1624014 45304719 45041336 1-0 20: 73 217 147 103 271 129 169 218 243 74 191 75 331 117 148 133 189 204 272 205 0.960 27.48 -4.8 89 92 95 93 437 16.9 0.000 -0.045 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1008 Sucrose 27.4318 2622.5 6.4 scans 100% 73 m/z 0.0070% 34.4% 2029 0.3 1543 3151690 90897773 90369332 1-0 20: 73 217 147 103 271 129 169 218 243 74 191 75 331 117 148 133 189 204 272 205 1.000 27.59 -17.0 100 99 98 99 437 292.7 3.621 -0.159 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN LQC1-N1006 Trehalose 28.3777 2724.7 >4 scans 70% TIC 10% 0.00927% 2119 0.8 34 2199 0.0727% 24460 23191 191636 0-5 0.979 28.47 -10.2 87 88 73 88 565 0.0 0.000 -0.090 G:\GCMS data\Nicotiana Panel polar\BQLD_REP1.FIN GUA35_L1-N1020 Galactinol 30.6294 2982.4 3.0 scans 95% 204 m/z 1.1% 0.0784% 2333 1.2 102 18721 206666 202866 0-4 20: 204 73 217 205 191 147 361 129 218 433 318 219 74 148 319 434 293 265 189 203 0.994 30.55 10.0 80 79 90 81 641 0.0 0.000 0.084 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN EXBLK5S-N1006 Contamination 6.3393 1046.4 2.5 scans 61% 207 m/z 0.91% 0.102% 24 1.8 112 26844 340409 197888 12-8 15: 207 295 208 209 191 296 297 133 279 210 189 193 265 177 192 0.979 6.63 -16.9 98 98 92 98 295 36.9 10.752 -0.286 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.7707 1071.9 >6 scans 32% 147 m/z 7.3% 0.0185% 65 0.6 44 3336 0.0419% 61403 50097 138556 0-4 3: 147 117 191 0.904 6.82 -3.0 90 91 83 95 295 2.9 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1194 Alanine 7.3894 1108.6 7.0 scans 82% 116 m/z 0.90% 0.162% 124 0.4 106 27151 0.202% 537839 518697 667980 1-2 4: 116 73 117 118 0.993 7.40 -0.9 97 96 95 96 283 0.0 0.000 -0.015 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN A-KETO~2-N1006 Contamination?? 7.8850 1138.0 2.5 scans 74% 156 m/z 2.4% 0.0244% 171 1.2 74 9854 0.0438% 80765 75875 144839 1-2 8: 156 75 55 157 61 54 76 74 0.978 7.96 -4.2 98 98 94 98 156 40.8 30.590 -0.072 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1192 Contamination 7.9692 1143.0 2.6 scans 73% 73 m/z 3.5% 0.0287% 179 1.2 80 6887 0.0738% 95180 94473 244044 1-0 19: 73 147 152 133 220 235 167 146 160 59 148 74 72 103 86 153 100 89 149 0.977 7.99 -1.2 92 92 88 92 235 15.1 3.574 -0.020 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1188 Contamination 8.3722 1166.9 4.1 scans 69% 281 m/z 2.4% 0.0422% 217 1.3 74 9963 0.0515% 139633 130111 170302 4-6 11: 281 369 147 282 283 370 265 249 371 266 193 0.847 8.41 -2.5 99 99 97 99 369 23.7 10.117 -0.043 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1190 Contamination 8.3985 1168.4 3.6 scans 54% 73 m/z 2.7% 0.0337% 220 1.0 67 9039 0.0463% 111522 105586 153106 5-3 12: 73 140 211 198 77 69 70 126 186 187 89 309 0.953 8.48 -5.1 88 89 85 90 309 7.4 1.200 -0.086 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1184 Valine 9.1571 1213.2 3.0 scans 86% 144 m/z 0.86% 0.0718% 292 0.8 110 28382 0.0812% 237636 215350 268515 6-4 13: 144 73 218 145 147 219 146 100 128 59 148 114 133 0.990 9.19 -1.8 99 98 97 98 218 34.5 9.726 -0.031 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1178 Ethanolamine 9.9915 1262.1 3.4 scans 91% 174 m/z 0.29% 0.252% 371 1.1 194 84185 0.914% 836342 728660 3022444 3-0 20: 174 73 175 86 100 147 176 133 59 130 262 74 131 148 114 172 101 87 116 149 0.998 10.03 -2.4 100 99 99 99 262 22.1 1.301 -0.042 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN VEN77_S6-N1002 Glycerol 10.0546 1265.7 2.3 scans 53% 299 m/z 0.18% 0.214% 377 1.2 219 136355 707763 698153 0-3 19: 299 300 314 301 211 283 315 188 193 302 316 225 181 284 212 137 269 209 285 0.850 10.09 -2.3 95 94 73 95 299 151.6 48.070 -0.039 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LEUCINE-N1054 Leucine 2TMS STD 10.0652 1266.4 2.7 scans 24% 158 m/z (299) 0.36% 0.142% 378 1.2 161 68144 0.162% 469779 425282 535707 1-3 11: 158 159 232 160 100 260 233 142 261 170 234 0.602 10.11 -2.8 85 90 69 94 158 107.2 44.421 -0.049 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LACTIC~1-N1034 Glycerol 10.0915 1267.9 2.9 scans 94% 73 m/z 0.11% 1.12% 381 0.6 424 205159 1.22% 3717483 3451412 4034335 1-3 20: 73 147 205 117 103 133 218 206 148 204 175 149 129 59 75 74 203 101 131 219 0.993 10.11 -1.1 97 95 94 99 293 28.7 0.459 -0.019 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2230 1275.6 2.5 scans 87% 73 m/z 0.93% 0.0618% 393 1.1 115 26459 204375 195630 1-1 17: 73 198 77 211 70 74 199 239 289 212 200 72 142 170 143 92 63 0.990 10.24 -1.0 98 97 96 98 381 12.6 1.204 -0.017 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1176 Isoleucine 10.4208 1287.2 2.9 scans 86% TIC 1.2% 0.0533% 412 1.6 100 19304 0.789% 176382 171617 2609090 2-0 0.994 10.46 -2.2 96 94 93 98 260 7.2 0.514 -0.038 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1012 Proline 10.5060 1292.2 2.7 scans 94% 142 m/z 0.092% 0.469% 420 1.0 308 267290 1.40% 1551722 1504291 4629564 3-0 20: 142 73 143 216 147 144 74 59 72 75 66 217 101 133 100 148 244 70 140 170 0.994 10.53 -1.6 100 98 99 100 216 57.0 3.441 -0.027 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5786 1296.4 2.7 scans 90% TIC 0.21% 0.268% 427 0.8 239 116170 1.88% 888726 888726 6216844 0-0 0.961 10.60 -1.4 99 98 99 100 245 53.9 5.093 -0.023 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1170 Glycine 10.6428 1300.2 2.9 scans 75% TIC 1.1% 0.0387% 433 1.0 105 20679 1.58% 128116 128116 5224794 0-0 0.979 10.69 -2.6 98 98 94 98 276 17.9 2.884 -0.044 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7217 1304.9 3.1 scans 90% TIC 0.078% 0.964% 441 1.5 380 312590 1.79% 3187898 2973247 5919229 2-2 0.956 10.76 -2.2 99 98 97 99 251 87.5 5.325 -0.036 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1168 Glyceric acid 11.0090 1322.2 2.4 scans 96% 73 m/z 0.14% 0.668% 468 1.0 385 171636 2211719 2112128 1-2 20: 73 147 292 189 133 103 205 293 102 117 190 307 148 75 74 294 149 59 101 191 1.000 11.05 -2.7 100 99 99 100 292 118.0 9.378 -0.045 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0637 1325.5 >3 scans 72% TIC 6.3% 0.0200% 473 1.0 63 3857 0.553% 66261 66261 1828678 0-0 0.975 11.06 0.0 92 91 85 97 285 19.2 9.388 0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1018 Uracil 11.1258 1329.2 2.7 scans 58% 241 m/z 8.9% 0.00891% 479 1.5 41 2749 29484 29484 0-1 5: 241 255 256 99 242 0.961 11.15 -1.4 95 95 94 99 256 15.2 13.501 -0.022 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1162 Fumaric acid 11.3488 1342.7 2.4 scans 95% 245 m/z 0.23% 0.259% 500 1.2 237 106457 859554 808312 2-2 20: 245 147 73 246 75 143 247 83 133 148 115 149 155 84 74 59 53 240 157 61 0.999 11.39 -2.6 100 99 99 99 245 134.0 31.992 -0.044 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4551 1349.1 2.9 scans 39% 84 m/z (57) 1.1% 0.0530% 510 1.3 97 21039 0.0659% 175470 171164 217920 1-0 18: 84 133 161 162 119 85 92 82 65 78 118 91 51 63 163 130 81 64 0.945 10.96 30.1 89 94 90 94 161 25.6 6.949 0.499 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1160 Serine 11.4993 1351.7 2.6 scans 95% TIC 0.21% 0.458% 514 1.0 295 115862 0.566% 1514816 1470155 1871667 0-1 0.998 11.56 -3.5 100 99 98 99 306 31.2 1.115 -0.058 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN BRA4_R~2-N1008 Thymine 11.5887 1357.1 3.2 scans 66% TIC 6.1% 0.00868% 523 2.3 41 3983 0.627% 28725 28725 2073384 0-0 0.942 11.58 0.3 97 97 93 99 270 13.8 11.479 0.005 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1024 Threonine 11.9086 1376.4 2.6 scans 93% TIC 0.51% 0.222% 553 1.0 207 48192 0.246% 735573 689012 813481 6-0 0.990 11.92 -0.7 99 98 98 100 320 18.8 0.828 -0.012 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1148 Glutamine?? 13.2838 1461.9 2.7 scans 89% TIC 0.53% 0.119% 684 1.1 155 46329 0.241% 396204 382666 796946 1-1 0.972 13.35 -4.0 97 96 96 98 257 12.1 0.610 -0.063 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1146 Malic acid 13.5427 1478.2 2.6 scans 98% 73 m/z 0.031% 3.09% 709 0.6 771 775038 10237687 10136363 0-1 20: 73 147 233 245 133 189 190 148 335 75 191 175 74 149 101 55 234 265 217 307 0.995 13.62 -4.6 100 99 99 100 350 20.4 0.070 -0.074 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1142 Erythritol/Threitol 13.8341 1496.5 2.6 scans 64% 217 m/z 1.0% 0.0716% 736 1.4 119 23087 0.0794% 236869 209061 262562 1-0 19: 217 147 205 103 204 206 189 307 117 191 218 116 133 293 320 148 131 308 219 0.887 13.89 -3.6 95 94 91 96 320 10.7 0.801 -0.056 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1140 Aspartic acid 14.0193 1508.6 2.8 scans 74% 232 m/z 0.59% 0.166% 754 0.9 178 41281 549978 525172 1-2 13: 232 73 202 133 117 72 149 142 235 70 102 292 66 0.843 14.09 -4.5 85 81 82 96 349 7.4 0.173 -0.068 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1032 GABA 14.1908 1520.0 2.6 scans 96% 174 m/z 0.054% 1.43% 770 1.0 539 447714 4749536 4476288 4-1 20: 174 304 73 147 175 305 75 86 176 306 246 216 143 59 100 133 148 130 172 74 1.000 14.19 0.2 100 99 99 99 304 170.8 10.045 0.003 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3592 1531.2 8.2 scans 81% TIC 4.4% 0.0249% 786 1.8 62 5570 1.72% 82637 82637 5687751 0-0 0.968 14.62 -17.4 87 87 82 89 409 3.9 0.400 -0.262 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6085 1547.7 2.5 scans 96% 73 m/z 0.24% 0.374% 810 1.0 287 99603 1237752 1184906 1-1 20: 73 292 147 220 205 293 217 117 103 221 148 294 133 74 319 102 291 75 149 206 1.000 14.69 -5.5 100 99 98 99 409 21.6 0.565 -0.083 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7369 1556.2 2.8 scans 53% 174 m/z (267) 0.76% 0.0851% 822 1.0 127 32363 281636 268061 1-1 13: 174 86 175 250 176 100 59 130 144 117 162 158 101 0.964 14.16 37.9 90 95 93 99 250 26.5 4.376 0.572 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3788 1598.8 2.7 scans 77% 217 m/z 1.5% 0.0466% 883 1.0 105 15790 0.0701% 154160 154160 231809 0-0 14: 217 73 218 219 284 103 133 74 230 215 238 149 129 189 0.932 15.44 -4.2 84 82 84 87 393 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1036 Glutamic acic 15.5029 1607.4 2.6 scans 39% 246 m/z 11% 0.00363% 895 0.8 28 2131 12014 12014 0-0 2: 246 247 0.891 15.50 -0.0 91 93 81 93 363 0.0 0.000 -0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1118 Phenylalanine 15.6008 1614.2 4.9 scans 91% TIC 0.92% 0.114% 904 1.3 145 26501 0.181% 379233 348905 598537 3-0 0.996 15.66 -4.0 95 93 93 96 294 10.7 0.542 -0.058 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1038 Xylose 15.8922 1634.4 >3 scans 66% TIC 4.4% 0.0173% 932 0.8 60 5522 0.118% 57338 53844 390206 1-0 0.958 15.89 0.2 92 91 87 95 307 16.7 7.589 0.002 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1040 Xylose 16.0048 1642.2 2.5 scans 89% 73 m/z 1.0% 0.0944% 943 0.9 143 24157 0.305% 312433 304810 1008584 0-2 20: 73 103 217 307 147 204 189 308 218 277 117 160 309 205 74 133 104 75 129 105 0.997 16.00 0.1 98 97 98 99 307 38.3 7.227 0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.2268 1657.6 2.8 scans 35% 290 m/z 3.3% 0.0121% 964 1.5 44 7297 0.0142% 40265 37559 46957 1-1 4: 290 291 292 392 0.766 16.28 -3.5 88 90 59 93 392 8.2 3.483 -0.049 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1108 Ribose 16.3194 1664.1 2.9 scans 91% 73 m/z 0.25% 0.467% 973 0.8 282 95823 1546173 1482942 1-1 20: 73 307 103 217 147 189 308 160 277 218 309 133 104 74 219 75 233 117 191 105 0.957 16.38 -3.8 93 92 91 98 467 8.3 0.087 -0.056 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1042 Ribose 16.4520 1673.3 2.3 scans 53% TIC 12% 0.00374% 985 1.4 38 1903 0.0892% 12366 12366 294969 0-0 0.930 16.10 24.3 82 85 74 86 307 13.8 13.350 0.349 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6119 1684.4 2.6 scans 88% TIC 1.4% 0.0863% 1000 1.6 130 17530 0.120% 285395 265043 396820 1-0 0.993 16.68 -4.4 99 98 96 98 497 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1104 Rhamnose 16.8729 1702.6 2.7 scans 75% TIC 3.5% 0.0232% 1025 1.2 72 7025 0.205% 76859 76859 677901 0-0 0.984 16.93 -4.3 83 81 88 89 392 7.5 1.071 -0.059 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9265 1706.5 4.1 scans 61% TIC 6.5% 0.0158% 1030 1.9 63 3779 0.288% 52312 52312 952368 0-0 0.934 16.99 -4.6 89 91 83 90 422 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9970 1711.7 2.8 scans 91% TIC 0.71% 0.173% 1037 1.1 181 34234 0.390% 572935 532333 1289664 0-3 0.996 17.06 -4.8 96 96 96 96 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1096 Putrescine 17.1885 1725.7 2.9 scans 44% 174 m/z 4.4% 0.00900% 1055 1.2 41 5532 29765 29765 1-0 4: 174 175 214 176 0.989 17.25 -4.3 89 88 84 91 458 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5652 1753.2 2.7 scans 91% TIC 0.37% 0.193% 1091 1.1 190 65336 0.343% 639905 574912 1134243 3-1 0.995 17.63 -4.8 96 95 95 96 450 25.8 1.846 -0.067 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6999 1763.0 2.7 scans 90% 73 m/z 0.41% 0.353% 1104 0.8 250 59729 0.499% 1169288 1118265 1650109 1-0 20: 73 334 204 256 217 129 147 257 335 375 255 75 133 336 149 167 218 285 143 166 0.989 17.70 0.1 99 98 97 99 375 29.9 1.429 0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1046 Shikimic acid 18.1302 1794.4 3.7 scans 73% TIC 1.2% 0.0838% 1145 1.3 117 20461 0.460% 277226 258353 1521143 0-3 0.940 18.13 0.4 95 94 92 97 372 14.4 1.498 0.005 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1082 Citric acid 18.2491 1803.2 2.9 scans 89% TIC 0.39% 0.347% 1156 1.3 254 62976 0.477% 1148047 1123339 1577359 3-1 0.994 18.32 -5.5 98 97 95 98 465 39.5 2.409 -0.072 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN ME-ADG~1-N1046 Methyl-a-glycopuranose 18.6900 1836.8 3.0 scans 72% TIC 1.5% 0.0433% 1198 0.9 99 15547 0.295% 143386 143386 975515 0-0 0.962 19.12 -32.9 84 86 85 87 467 0.0 0.000 -0.431 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1076 Pregnane?? 18.7837 1844.0 2.8 scans 97% 345 m/z 0.047% 2.21% 1207 1.0 636 518757 7325516 7082522 1-1 20: 345 73 346 255 147 347 204 334 191 256 435 419 372 133 74 148 257 75 239 537 0.998 18.86 -5.7 100 100 99 100 537 50.0 0.618 -0.074 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1074 Adenine 18.8826 1851.5 >3 scans 74% TIC 0.99% 0.0480% 1216 1.2 100 24783 158882 158882 0-0 0.979 18.94 -4.4 96 95 85 97 415 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1072 Fructose 18.9920 1859.9 4.9 scans 98% 73 m/z 0.014% 15.8% 1227 0.4 1347 1671119 52322114 51733930 1-0 20: 73 307 217 103 147 308 277 218 309 133 364 189 205 74 117 104 219 89 148 191 1.000 19.03 -3.1 100 98 99 100 364 155.2 1.333 -0.041 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1050 Fructose 18.9920 1859.9 4.9 scans 96% 73 m/z (538) 0.015% 15.6% 1227 0.4 1333 1628647 51842373 51259582 1-0 20: 73 307 217 103 147 308 277 218 309 133 364 189 205 74 117 104 219 89 148 191 1.000 18.98 0.9 98 99 99 99 364 153.1 1.323 0.012 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1052 Fructose 19.1141 1869.2 4.3 scans 97% 73 m/z 0.020% 10.2% 1238 0.4 1132 1184192 26.0% 33901351 33776963 85977626 1-1 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 262 219 117 89 189 104 148 1.000 19.10 0.8 100 99 100 100 364 134.2 1.410 0.010 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1056 Glucose 19.3361 1886.1 5.9 scans 100% 466 m/z (201) 0.010% 23.1% 1259 0.5 1524 2249575 24.5% 76436368 74479135 81017378 0-1 20: 466 270 464 265 344 172 290 345 264 465 209 176 112 420 84 433 360 555 393 523 0.997 19.33 0.3 99 100 99 100 364 102.1 0.451 0.004 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1064 Mannose 19.3361 1886.1 5.9 scans 97% 466 m/z 0.011% 22.0% 1259 0.5 1475 2133522 23.4% 73077969 71206731 77379863 0-1 20: 466 270 464 265 344 172 290 345 264 465 209 176 112 420 84 433 360 555 393 523 0.995 19.45 -9.1 100 99 98 100 319 599.7 16.607 -0.119 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN BRA4_R~2-N1004 Galactose 19.3413 1886.5 5.3 scans 73% 319 m/z (466) 0.011% 16.6% 1260 0.4 1346 2088645 17.4% 55058527 54628662 57538872 2-0 20: 319 73 205 147 160 320 217 321 103 206 117 74 229 129 133 157 189 148 204 207 0.901 19.36 -1.6 88 97 85 91 364 48.0 0.000 -0.020 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1059 Glucose 19.5591 1903.3 3.0 scans 96% TIC 0.030% 5.43% 1280 0.5 938 816476 17958856 16775540 2-1 0.999 19.55 0.6 100 99 99 100 376 39.0 0.174 0.007 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1061 Lysine 19.6170 1908.0 2.8 scans 77% TIC 2.2% 0.0589% 1286 1.2 114 11078 0.343% 195053 183693 1134243 0-3 0.983 19.61 0.4 88 84 83 97 434 12.0 1.111 0.004 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1060 Lysine 19.6170 1908.0 2.7 scans 52% 174 m/z 2.4% 0.0433% 1286 0.9 94 10202 0.179% 143374 143374 591923 0-0 16: 174 317 156 318 128 230 175 100 86 115 200 329 176 130 146 154 0.978 19.69 -6.1 93 93 87 94 479 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN N406_R~2-N1016 Galacturonic acid 19.7759 1920.7 2.3 scans 14% 333 m/z 15% 0.00246% 1301 1.1 23 1579 8138 8138 0-0 1: 333 0.846 19.79 -1.4 83 86 79 86 423 0.0 0.000 -0.017 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN BRA4_R~2-N1010 Tyrosine 19.8127 1923.7 2.8 scans 56% 218 m/z 1.9% 0.0310% 1304 1.2 74 12943 0.0334% 102614 100369 110448 1-0 8: 218 219 280 220 179 100 354 281 0.915 19.82 -0.4 85 87 74 90 382 7.5 1.045 -0.005 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1056 Ascorbic acid 19.9064 1931.2 2.9 scans 89% TIC 0.68% 0.170% 1313 0.8 175 35743 0.385% 562523 549348 1273130 2-0 0.990 19.99 -6.5 99 98 95 98 449 19.2 1.208 -0.080 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1052 Gluconic acid 2 20.5124 1979.9 3.2 scans 77% TIC 3.9% 0.0402% 1371 1.8 77 6207 0.132% 133087 103506 436502 0-1 0.990 20.60 -6.8 86 86 85 86 613 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6762 2076.8 3.0 scans 97% 305 m/z 0.018% 10.1% 1482 0.5 1326 1353434 33479905 31525082 1-1 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 320 433 367 133 129 148 219 0.999 21.75 -6.1 100 100 100 100 507 107.0 0.653 -0.073 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8592 2092.2 3.1 scans 97% 319 m/z 0.16% 0.886% 1499 1.2 383 149083 2932002 2868669 1-2 20: 319 73 205 147 320 217 103 321 262 206 117 74 204 229 133 157 89 148 129 376 0.998 21.93 -5.9 97 94 97 99 656 9.0 0.055 -0.071 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1886 2120.7 2.6 scans 92% 396 m/z 0.28% 0.399% 1530 1.0 287 86272 0.423% 1322106 1320047 1398790 0-1 20: 396 219 73 397 381 398 191 220 307 382 249 293 75 308 74 383 221 399 233 192 0.945 22.19 0.2 99 98 94 100 396 120.6 17.692 0.003 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6652 2162.3 3.2 scans 92% 204 m/z 1.5% 0.0514% 1576 1.5 92 15420 0.0872% 170023 166693 288356 1-0 12: 204 73 217 147 206 361 191 117 74 219 218 129 0.997 22.71 -4.2 97 96 96 97 518 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN WTF2-N1036 C18:0 23.3965 2227.4 3.2 scans 81% 341 m/z 6.0% 0.0220% 1645 2.0 59 4080 0.0258% 72970 69193 85316 1-1 9: 341 117 145 132 75 129 55 57 356 0.990 22.89 45.6 85 92 80 92 356 8.8 2.252 0.507 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN BRA4_R~2-N1006 Spermidine 23.5080 2237.6 2.8 scans 82% 144 m/z 5.1% 0.0308% 1656 1.0 77 4771 0.0357% 102167 96137 118054 4-2 18: 144 73 174 116 156 160 86 172 142 201 145 59 100 214 175 74 115 146 0.976 23.51 -0.1 91 88 91 98 490 6.6 0.734 -0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1024 Glycerolgalactose 24.1236 2293.8 2.8 scans 97% 204 m/z 0.053% 1.59% 1714 0.9 551 455884 5269699 5000083 1-1 20: 204 73 217 147 205 337 103 129 206 219 218 191 361 338 133 74 148 203 131 305 1.000 24.18 -5.3 98 96 99 99 581 12.4 0.051 -0.058 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6476 2343.4 3.1 scans 95% 73 m/z 0.68% 0.279% 1764 0.5 199 36073 924425 903900 3-1 20: 73 331 147 191 421 217 205 307 319 262 103 332 422 204 305 333 259 263 218 306 0.998 24.65 -0.2 99 98 97 98 466 12.3 0.385 -0.002 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4510 2520.5 2.8 scans 82% 204 m/z 8.5% 0.0157% 1935 0.8 49 2894 0.0517% 52202 39097 170963 12-0 7: 204 217 73 129 218 740 219 0.982 26.52 -7.1 83 84 76 84 740 8.5 3.036 -0.070 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5320 2528.8 3.3 scans 84% TIC 2.5% 0.0712% 1943 1.6 107 9783 235600 225314 1-5 0.941 26.57 -4.3 96 95 87 95 512 38.5 12.885 -0.041 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1014 Sucrose 27.3717 2616.1 2.8 scans 98% TIC 0.033% 3.05% 2023 0.9 744 732185 10089452 9647870 2-1 0.999 27.49 -12.6 100 100 99 100 437 148.8 4.016 -0.118 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN LQC1-N1006 Trehalose 28.3366 2720.1 3.1 scans 92% 361 m/z 2.0% 0.0708% 2115 1.1 105 11850 0.0763% 234317 213746 252311 3-0 20: 361 73 204 362 217 205 147 319 363 103 480 129 271 117 364 191 74 331 169 189 0.996 28.47 -14.8 82 77 71 92 565 0.0 0.000 -0.131 G:\GCMS data\Nicotiana Panel polar\BQLD_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7278 3112.8 7.1 scans 85% 204 m/z 4.6% 0.0451% 2437 3.7 57 5346 0.0483% 149204 140817 159720 1-0 10: 204 217 129 73 337 205 243 218 361 169 0.974 31.68 6.2 87 87 80 87 597 11.6 4.187 0.053 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN EXBLK5S-N1006 Contamination 6.3405 1046.4 5.2 scans 70% TIC 0.88% 0.114% 24 1.2 111 25413 0.325% 237316 235835 673571 1-0 0.945 6.63 -16.9 98 98 93 98 295 35.6 10.248 -0.284 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.7909 1073.1 10.5 scans 27% 117 m/z 9.8% 0.0208% 67 0.4 36 2285 0.0467% 43252 39343 96787 0-5 3: 117 147 191 0.908 6.82 -1.8 87 90 83 94 295 2.6 0.000 -0.030 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1194 Alanine 7.3885 1108.6 7.7 scans 68% 116 m/z 1.6% 0.117% 124 0.7 71 13549 0.134% 243602 227718 277718 0-9 1: 116 0.973 7.40 -0.9 95 95 91 95 283 0.0 0.000 -0.015 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN A-KETO~2-N1006 Contamination?? 7.8967 1138.7 2.6 scans 67% 156 m/z 3.2% 0.0275% 172 1.2 61 6921 0.0371% 57038 54103 76891 10-3 6: 156 75 55 157 54 61 0.972 7.96 -3.5 98 98 92 97 156 33.9 30.915 -0.060 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1192 Contamination 7.9809 1143.7 2.5 scans 75% 73 m/z 3.6% 0.0362% 180 1.2 73 6229 0.0588% 75183 74424 121865 3-0 14: 73 147 133 235 220 148 59 146 86 72 103 100 89 160 0.982 7.99 -0.5 92 92 89 92 235 14.3 3.839 -0.008 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN WTF2-N1026 Cadaverine NC 8.1850 1155.8 3.3 scans 66% 174 m/z 3.8% 0.0292% 199 1.5 50 5816 0.0456% 60618 51733 94507 0-4 10: 174 175 86 142 176 216 160 130 100 59 0.975 7.74 26.6 94 96 88 96 216 12.0 5.711 0.449 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1188 Contamination 8.3702 1166.8 4.1 scans 75% 281 m/z 1.3% 0.132% 217 1.6 99 16630 0.136% 274260 227151 281863 1-10 14: 281 147 369 282 283 265 249 371 148 191 207 193 266 149 0.899 8.41 -2.6 100 99 98 100 369 31.1 9.897 -0.045 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1190 Contamination 8.4155 1169.4 3.3 scans 41% 140 m/z 6.4% 0.0306% 221 1.4 56 3494 63611 63551 1-0 8: 140 211 198 77 186 126 70 187 0.968 8.48 -4.1 87 88 81 89 309 6.3 1.250 -0.069 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1184 Valine 9.1646 1213.7 3.3 scans 76% 144 m/z (156) 2.4% 0.0423% 293 0.7 61 9223 0.0547% 87855 79155 113367 5-4 7: 144 218 73 145 219 100 146 0.991 9.19 -1.3 95 97 92 97 218 19.1 9.814 -0.023 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1180 Benzoic acid 9.7307 1246.8 3.0 scans 71% 179 m/z 3.7% 0.0361% 346 1.3 60 5960 0.0394% 74880 71128 81658 6-0 6: 179 105 135 77 180 136 0.983 9.76 -1.7 94 93 89 97 194 8.6 2.087 -0.028 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1178 Ethanolamine 9.9948 1262.2 3.7 scans 74% 174 m/z 1.8% 0.0508% 371 1.0 68 12082 0.118% 105360 105360 244558 0-0 8: 174 175 100 86 176 133 130 59 0.963 10.03 -2.3 97 96 91 96 262 7.6 1.227 -0.039 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN VEN77_S6-N1002 Glycerol 10.0601 1266.1 3.0 scans 84% TIC 0.18% 0.637% 378 2.1 240 118850 0.684% 1321151 1201377 1417608 1-3 0.969 10.09 -1.9 99 98 94 99 299 140.4 34.259 -0.034 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LACTIC~1-N1034 Glycerol 10.0916 1267.9 3.0 scans 90% 205 m/z (299) 0.74% 0.264% 381 0.7 158 30009 0.282% 548586 512642 584452 1-3 16: 205 147 117 103 218 206 204 148 149 175 129 177 293 220 217 104 0.980 10.11 -1.1 95 95 94 99 293 10.4 0.429 -0.018 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2295 1276.0 2.7 scans 85% 73 m/z 1.1% 0.0747% 394 1.0 96 18915 155002 144199 1-1 12: 73 198 77 211 74 70 199 239 212 289 381 72 0.981 10.24 -0.6 97 97 94 97 381 10.3 1.145 -0.011 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1012 Proline 10.5093 1292.4 2.8 scans 95% TIC 0.14% 0.483% 420 0.8 235 157827 2.82% 1001197 998889 5844523 2-0 0.997 10.53 -1.4 99 98 98 100 216 43.7 3.460 -0.024 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1014 Maleic acid 10.5851 1296.8 2.6 scans 95% 147 m/z 0.18% 0.451% 428 1.0 239 123377 2.07% 935943 935943 4290128 0-0 20: 147 73 245 148 75 149 83 133 74 115 143 246 247 170 84 59 126 215 72 155 0.996 10.60 -1.0 99 98 99 99 245 57.1 5.690 -0.017 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1170 Glycine 10.6461 1300.4 3.1 scans 63% TIC 2.3% 0.0211% 433 1.1 66 9425 1.94% 43742 43742 4020700 0-0 0.948 10.69 -2.4 95 95 85 96 276 10.9 2.732 -0.041 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7261 1305.2 2.9 scans 93% TIC 0.059% 1.67% 441 1.4 416 380260 3475713 3416953 1-1 0.963 10.76 -1.9 99 98 98 99 251 96.0 5.333 -0.032 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1168 Glyceric acid 11.0081 1322.2 2.4 scans 94% TIC 0.48% 0.268% 468 1.0 192 46021 0.304% 555672 536262 630048 2-0 0.999 11.05 -2.7 100 99 98 99 292 58.7 9.382 -0.046 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0681 1325.8 2.7 scans 65% 184 m/z 9.4% 0.0177% 474 1.0 46 2369 0.0238% 36748 36748 49326 0-0 7: 184 134 285 174 86 77 286 0.968 11.06 0.3 94 96 86 96 285 14.6 10.159 0.005 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1018 Uracil 11.1280 1329.4 2.6 scans 67% 241 m/z 5.4% 0.0216% 479 1.5 52 4083 44907 44417 0-2 7: 241 255 99 256 242 257 113 0.917 11.15 -1.2 95 94 91 99 256 17.2 11.082 -0.020 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1162 Fumaric acid 11.3532 1342.9 2.6 scans 97% 245 m/z 0.19% 0.495% 501 1.1 244 113865 1027496 981652 3-1 20: 245 147 73 246 75 143 83 133 148 149 115 155 53 84 74 157 59 61 127 240 0.999 11.39 -2.4 100 99 99 100 245 137.4 31.642 -0.040 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4521 1348.9 2.9 scans 67% 57 m/z 1.1% 0.104% 510 1.0 109 19223 0.117% 215618 208110 242486 2-0 19: 57 97 145 115 127 55 69 56 129 59 111 109 85 128 71 98 83 72 146 0.798 11.45 0.4 89 86 89 98 145 30.1 7.666 0.006 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1160 Serine 11.5016 1351.9 2.6 scans 94% TIC 0.42% 0.331% 515 1.0 196 52565 0.937% 687794 663070 1941957 0-1 0.997 11.56 -3.3 99 98 97 98 306 21.2 1.168 -0.055 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN BRA4_R~2-N1008 Thymine 11.5878 1357.1 2.7 scans 51% 255 m/z 7.3% 0.00782% 523 1.1 31 3037 16216 16216 0-0 4: 255 156 270 256 0.810 11.58 0.3 97 99 90 98 270 10.9 12.189 0.004 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7225 1365.2 3.0 scans 77% 147 m/z 2.4% 0.0675% 536 1.1 84 9090 0.0721% 139996 127534 149429 1-4 14: 147 73 247 148 101 59 102 116 103 131 217 262 248 74 0.948 11.79 -3.7 85 81 88 95 262 9.2 1.192 -0.062 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1024 Threonine 11.9119 1376.6 2.6 scans 92% 73 m/z 0.98% 0.158% 554 1.1 142 22744 0.174% 327807 317985 360619 2-0 20: 73 218 219 117 291 292 101 147 220 74 57 100 75 128 221 203 293 129 202 130 0.996 11.92 -0.5 100 99 98 99 320 12.3 0.753 -0.009 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1148 Glutamine?? 13.2850 1462.0 2.7 scans 90% TIC 0.41% 0.237% 684 1.2 171 53540 0.306% 492563 477852 634193 1-1 0.969 13.35 -3.9 96 94 96 98 257 13.7 0.643 -0.062 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1146 Malic acid 13.5512 1478.7 3.2 scans 98% TIC 0.023% 7.52% 709 0.4 869 968243 15591002 15368875 1-0 0.999 13.62 -4.1 100 99 99 100 350 22.6 0.068 -0.066 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1142 Erythritol/Threitol 13.7112 1488.8 2.8 scans 72% 73 m/z 4.7% 0.0297% 724 1.4 60 4751 4.26% 61565 60538 8828960 2-0 12: 73 217 147 205 204 103 307 189 218 117 191 133 0.965 13.89 -11.3 90 90 85 93 320 5.3 0.790 -0.179 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0174 1508.5 2.5 scans 27% 232 m/z (156) 0.67% 0.119% 754 1.1 123 33130 248115 239046 1-1 18: 232 233 100 218 202 234 188 216 306 117 334 142 101 292 174 203 189 119 0.657 14.02 0.0 93 93 86 99 258 5.9 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0247 1509.0 3.3 scans 84% 73 m/z (232) 0.23% 0.480% 754 1.0 215 95937 995556 943594 1-1 20: 73 147 75 74 72 148 133 231 59 58 149 131 70 99 154 115 60 244 98 102 0.981 14.03 -0.3 97 99 96 99 258 42.8 3.969 -0.005 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1140 Aspartic acid 14.0247 1509.0 3.3 scans 63% 73 m/z (156) 0.37% 0.361% 754 1.0 186 59374 749347 710236 1-1 20: 73 147 75 74 72 148 133 231 59 58 149 131 70 99 154 115 60 244 98 102 0.972 14.09 -4.1 93 93 94 96 349 7.2 0.150 -0.062 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0300 1509.4 2.8 scans 74% 156 m/z (232) 0.24% 0.348% 755 1.0 202 93410 722172 667772 1-1 20: 156 157 230 258 158 259 140 112 86 121 66 260 55 85 84 67 141 57 114 71 0.983 14.11 -5.3 96 98 97 99 273 8.9 0.197 -0.080 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1134 GABA 14.1815 1519.4 >3 scans 79% TIC 1.2% 0.0863% 769 1.2 108 18637 1.32% 178999 178999 2735734 0-0 0.993 14.24 -4.0 97 96 93 96 304 33.1 9.416 -0.060 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6076 1547.7 2.6 scans 90% 73 m/z 1.0% 0.130% 810 1.1 129 21999 270202 258760 1-2 20: 73 292 147 220 205 293 117 103 294 217 221 319 148 291 74 133 149 206 102 189 0.996 14.62 -0.9 97 96 94 96 409 10.3 0.636 -0.013 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7360 1556.2 2.8 scans 68% 174 m/z 0.41% 0.230% 822 1.0 166 53838 478021 455508 1-1 20: 174 175 86 176 250 100 59 251 130 65 117 87 162 160 131 116 158 101 252 102 0.942 14.16 37.9 91 93 89 99 250 31.2 3.514 0.571 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1036 Glutamic acic 15.5031 1607.4 2.5 scans 69% TIC 5.5% 0.0164% 895 0.5 44 4075 0.0626% 34114 32074 129740 1-0 0.985 15.50 -0.0 96 96 91 97 363 2.9 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1118 Phenylalanine 15.6009 1614.2 2.7 scans 78% 218 m/z (267) 1.7% 0.0728% 904 1.1 93 12479 150961 150961 0-0 7: 218 192 219 100 266 220 130 0.987 15.66 -4.0 93 94 91 96 294 6.1 0.423 -0.058 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1038 Xylose 15.8892 1634.2 4.8 scans 52% TIC 9.2% 0.0133% 932 2.4 38 2423 0.0600% 27745 26379 124352 0-1 0.922 15.89 -0.0 83 83 82 88 307 10.9 8.408 -0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1040 Xylose 16.0039 1642.1 2.6 scans 86% 73 m/z 1.8% 0.0758% 943 1.0 98 12022 0.0948% 157224 147764 196475 3-1 20: 73 103 307 217 147 160 189 277 117 308 309 218 104 133 205 74 129 89 191 105 0.986 16.00 0.0 96 95 93 96 307 26.9 7.575 -0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1042 Ribose 16.1018 1648.9 3.0 scans 81% TIC 3.1% 0.0389% 952 0.7 70 7016 0.312% 80717 79362 646628 1-0 0.983 16.10 -0.1 92 90 89 94 307 18.4 6.968 -0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1108 Ribose 16.3122 1663.6 4.3 scans 78% TIC 2.5% 0.0735% 972 0.7 77 8761 0.227% 152336 147473 470463 0-2 0.925 16.38 -4.3 83 81 85 88 467 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6121 1684.4 2.6 scans 90% TIC 1.4% 0.122% 1000 1.6 118 15364 0.170% 253153 253153 352329 0-0 0.994 16.68 -4.4 98 98 95 98 497 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9972 1711.7 2.7 scans 85% 73 m/z 1.1% 0.159% 1037 1.0 137 19804 0.401% 330998 296542 831083 0-2 19: 73 217 147 205 319 103 307 218 129 204 189 320 148 206 308 321 277 74 243 0.983 17.06 -4.8 91 91 91 91 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1044 Putrescine 17.1887 1725.7 2.7 scans 65% 174 m/z (73) 2.8% 0.0224% 1055 1.0 53 7869 46486 45205 1-1 7: 174 175 214 172 86 176 200 0.976 17.19 0.1 88 90 84 90 376 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1096 Putrescine 17.1887 1725.7 2.7 scans 55% 174 m/z 2.8% 0.0188% 1055 1.0 48 7774 38970 37896 1-1 7: 174 175 214 172 86 176 200 0.995 17.25 -4.3 94 94 90 94 458 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5654 1753.2 2.8 scans 87% TIC 0.80% 0.118% 1091 1.5 122 27941 0.606% 244762 244762 1255951 0-0 0.985 17.63 -4.8 94 93 89 93 450 19.9 2.661 -0.067 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6959 1762.7 2.7 scans 71% 334 m/z (319) 0.86% 0.229% 1103 0.9 162 26001 0.326% 475060 462647 675643 2-0 17: 334 204 256 129 257 335 375 336 255 285 183 267 167 166 215 151 376 0.987 17.70 -0.2 96 98 96 98 375 20.7 1.625 -0.003 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1046 Shikimic acid 18.1241 1793.9 3.1 scans 79% TIC 1.0% 0.102% 1144 1.4 114 21583 0.812% 212003 210930 1682891 0-1 0.952 18.13 -0.1 93 92 89 94 372 12.6 1.240 -0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1082 Citric acid 18.2482 1803.1 2.5 scans 91% 273 m/z 0.25% 0.698% 1156 0.9 301 88061 1446892 1346420 4-1 20: 273 73 147 347 375 363 274 465 275 149 75 211 364 348 148 376 305 466 221 74 0.996 18.32 -5.6 99 97 96 99 465 47.0 2.445 -0.073 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1076 Pregnane?? 18.7775 1843.5 2.5 scans 96% 345 m/z 0.049% 2.66% 1206 0.9 586 449397 5521966 5230896 1-1 20: 345 73 346 255 147 347 204 191 334 256 148 419 372 435 133 257 74 348 239 75 0.999 18.86 -6.2 100 99 99 99 537 46.0 0.619 -0.080 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1074 Adenine 18.8775 1851.1 3.1 scans 21% 264 m/z 4.9% 0.0144% 1216 1.3 38 4516 0.0348% 29916 29916 72124 0-0 4: 264 265 279 266 0.980 18.94 -4.8 89 89 80 94 415 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1072 Fructose 18.9532 1856.9 2.5 scans 98% 73 m/z 0.044% 3.66% 1223 0.8 688 509764 7587912 7504375 3-0 20: 73 307 217 103 147 308 218 277 133 309 364 74 117 205 189 104 219 89 148 75 1.000 19.03 -6.1 100 98 99 100 364 75.7 1.214 -0.080 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1052 Fructose 19.0721 1866.0 2.8 scans 94% 73 m/z 0.068% 3.00% 1234 0.6 557 325517 6227223 5669435 2-1 20: 73 307 217 103 147 308 218 277 309 364 89 74 133 117 205 262 148 104 219 75 0.998 19.10 -2.4 100 99 99 99 364 63.3 1.294 -0.032 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1054 Galactose 19.1879 1874.8 2.9 scans 77% 73 m/z 1.1% 0.119% 1245 1.1 126 19547 9.45% 246946 246946 19585368 0-0 20: 73 319 205 147 320 160 217 321 103 133 117 148 74 157 89 229 161 189 149 291 0.971 19.22 -2.2 90 87 90 96 376 5.5 0.188 -0.028 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1064 Mannose 19.2815 1882.0 2.7 scans 98% 319 m/z 0.036% 5.40% 1254 0.8 823 622906 11197728 10887984 1-1 20: 319 73 205 147 320 160 217 321 103 206 117 133 74 129 229 148 204 157 189 207 1.000 19.45 -13.2 100 99 99 100 319 318.4 15.003 -0.173 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1059 Glucose 19.5151 1899.8 3.1 scans 100% 59 m/z (174) 0.14% 1.33% 1276 0.8 373 153486 2774398 2611173 1-1 20: 59 162 230 190 177 100 101 163 389 130 134 159 135 214 216 158 306 132 243 150 0.996 19.55 -2.9 97 97 99 98 376 14.2 0.144 -0.037 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1061 Lysine 19.6014 1906.7 2.8 scans 52% TIC 10% 0.00858% 1284 1.0 37 2212 17797 17797 0-0 0.927 19.61 -0.9 84 85 77 85 434 3.9 1.086 -0.012 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1056 Ascorbic acid 19.8907 1930.0 2.7 scans 91% TIC 0.67% 0.212% 1312 0.8 166 33265 0.457% 439968 429725 947144 2-1 0.993 19.99 -7.7 98 97 95 98 449 18.3 1.212 -0.095 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1052 Gluconic acid 2 20.5042 1979.3 2.9 scans 66% 73 m/z 7.4% 0.0158% 1370 1.2 48 2994 0.0400% 32915 32915 82901 0-0 9: 73 292 319 217 147 293 333 305 205 0.964 20.60 -7.4 81 81 77 81 613 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6658 2075.9 2.7 scans 98% 305 m/z 0.022% 10.8% 1481 0.6 1130 988242 22418587 22125731 0-1 20: 305 217 318 73 147 191 306 319 265 204 218 307 432 433 320 367 129 133 291 148 0.999 21.75 -7.0 100 100 99 100 507 95.0 0.708 -0.083 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8647 2092.7 3.5 scans 96% 319 m/z 0.22% 1.07% 1499 1.1 312 98281 2236593 2169202 1-1 20: 319 73 205 147 320 217 262 206 74 204 229 157 129 89 218 149 291 305 263 191 1.000 21.93 -5.4 97 95 97 99 656 7.2 0.053 -0.065 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1793 2119.8 2.8 scans 93% 396 m/z 0.32% 0.494% 1529 1.1 235 68431 0.496% 1025423 979860 1027973 1-5 20: 396 219 73 397 381 398 220 191 382 307 249 293 75 308 383 399 221 74 192 233 0.993 22.19 -0.7 98 97 94 97 396 106.5 20.538 -0.007 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6801 2163.6 2.8 scans 78% 204 m/z 4.3% 0.0209% 1577 1.1 49 5191 0.0212% 43318 38885 43938 2-0 5: 204 217 205 145 361 0.971 22.71 -2.9 83 83 81 83 518 0.0 0.000 -0.034 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN WTF2-N1036 C18:0 23.4051 2228.2 3.2 scans 88% 341 m/z 5.7% 0.0361% 1646 1.7 58 3891 0.0391% 74864 74864 81036 0-0 8: 341 117 129 132 145 342 55 356 1.000 22.89 46.4 84 91 80 91 356 8.4 2.064 0.516 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1311 2294.5 2.6 scans 90% 204 m/z 1.7% 0.0603% 1715 1.0 87 12682 125148 117886 1-2 17: 204 73 337 217 147 205 103 206 129 219 191 133 148 74 361 338 203 0.995 24.01 11.0 94 94 93 94 490 0.0 0.000 0.121 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6561 2344.2 3.0 scans 95% 73 m/z 0.92% 0.273% 1765 0.5 157 24329 565799 544558 1-1 20: 73 331 147 217 191 319 421 262 307 205 103 305 204 332 333 422 259 376 89 218 0.998 24.65 0.6 97 96 95 96 466 9.1 0.340 0.006 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5333 2529.0 2.8 scans 92% 512 m/z 2.7% 0.0727% 1943 1.1 94 8069 150824 150600 0-1 18: 512 455 73 513 247 456 514 483 457 248 263 497 219 191 484 203 175 383 0.995 26.57 -4.1 96 95 85 95 512 36.6 14.983 -0.040 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1020 Sucrose 27.4045 2619.6 6.0 scans 10% 437 m/z (361) 0.043% 4.10% 2026 0.8 483 516739 8509846 8429101 1-0 20: 437 451 438 439 452 453 440 454 441 464 348 463 455 374 467 356 465 433 277 295 0.456 27.46 -6.0 94 96 93 99 437 292.7 36.863 -0.057 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1010 Sucrose 27.4045 2619.6 6.0 scans 100% 437 m/z 0.0071% 39.3% 2026 0.8 1508 3160637 81614089 80839703 1-0 20: 437 451 438 439 452 453 440 454 441 464 348 463 455 374 467 356 465 433 277 295 0.997 27.58 -18.6 100 99 98 99 437 300.7 4.005 -0.175 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1016 Sucrose 27.4203 2621.3 5.7 scans 55% 361 m/z (363) 0.015% 22.0% 2028 0.2 1150 1427983 45670056 44091842 1-1 20: 361 73 217 362 147 271 103 169 129 218 243 319 191 74 219 331 272 189 133 230 0.881 27.48 -6.0 83 80 91 96 437 17.1 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN TAB_REP6-N1070 Sucrose 27.4203 2621.3 5.7 scans 80% 361 m/z (437) 0.0098% 32.2% 2028 0.2 1391 2279177 66737348 64431115 1-1 20: 361 73 217 362 147 271 103 169 129 218 243 319 191 74 219 331 272 189 133 230 0.996 27.41 1.2 90 88 73 99 451 13.8 0.000 0.010 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN LQC1-N1006 Trehalose 28.4062 2727.9 >4 scans 74% 361 m/z 9.1% 0.0146% 2121 1.1 37 2456 0.0580% 30441 30441 120206 0-0 3: 361 362 363 0.985 28.47 -7.0 85 85 69 87 565 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\BQLD_REP3.FIN GUA35_L1-N1020 Galactinol 30.6537 2985.2 3.1 scans 90% TIC 2.0% 0.0560% 2335 1.2 79 10997 116143 110423 2-1 0.991 30.55 12.8 83 82 88 82 641 0.0 0.000 0.109 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN EXBLK5S-N1006 Contamination 6.3880 1049.3 3.2 scans 79% TIC 0.46% 0.195% 29 1.5 151 50996 0.286% 493627 450394 723363 3-1 0.991 6.63 -14.0 100 99 96 99 295 47.9 10.013 -0.237 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8836 1078.6 >12 scans 47% 73 m/z 4.4% 0.0673% 76 0.2 57 5393 0.150% 170469 160751 379386 0-1 4: 73 117 147 191 0.971 6.82 3.7 95 94 90 98 295 0.0 0.000 0.063 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1194 Alanine 7.4360 1111.4 11.2 scans 71% 116 m/z (119) 1.0% 0.255% 128 1.1 99 23835 0.413% 645765 645765 1044576 0-0 3: 116 73 74 0.962 7.40 1.9 93 94 93 96 283 5.3 0.284 0.032 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9610 1142.5 2.4 scans 63% 156 m/z 2.9% 0.0324% 178 1.3 66 8153 82149 60184 28-1 5: 156 75 55 157 54 0.960 7.96 0.3 95 94 91 98 156 35.6 29.499 0.004 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1192 Contamination 8.0452 1147.5 2.6 scans 65% TIC 3.5% 0.0275% 186 1.5 71 6784 0.108% 69618 69618 273158 0-0 0.887 7.99 3.3 90 90 88 95 235 13.2 3.435 0.056 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN WTF2-N1026 Cadaverine NC 8.2104 1157.3 2.9 scans 64% TIC 3.0% 0.0211% 202 1.0 61 7925 0.108% 53491 51355 273158 0-2 0.973 7.74 28.1 91 91 82 97 216 13.4 4.799 0.474 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1188 Contamination 8.3914 1168.0 3.2 scans 53% 281 m/z 4.5% 0.0263% 219 1.8 51 5293 0.0269% 66584 60628 68037 2-1 8: 281 369 282 283 370 371 265 249 0.981 8.41 -1.4 97 97 93 97 369 16.3 10.099 -0.024 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1190 Contamination 8.4608 1172.1 3.6 scans 60% 73 m/z 4.0% 0.0282% 226 1.4 56 5841 0.0814% 71328 69304 205880 0-2 10: 73 140 211 198 77 126 70 69 187 186 0.947 8.48 -1.4 88 89 85 89 309 5.6 0.983 -0.023 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1184 Valine 9.2005 1215.8 3.9 scans 77% TIC 1.8% 0.0466% 296 0.7 72 12912 0.0529% 118104 118104 133797 0-0 0.979 9.19 0.8 97 97 93 97 218 21.9 9.194 0.012 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1180 Benzoic acid 9.7666 1248.9 2.9 scans 74% 179 m/z 3.2% 0.0328% 350 0.9 66 7450 83046 78891 1-1 8: 179 105 135 77 180 194 51 136 0.942 9.76 0.4 89 85 84 98 194 10.3 2.445 0.008 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1178 Ethanolamine 10.0044 1262.8 4.2 scans 55% TIC 4.6% 0.0134% 372 1.1 48 5171 0.501% 33976 33976 1267150 0-0 0.961 10.03 -1.7 86 84 81 93 262 5.5 1.293 -0.030 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN VEN77_S6-N1002 Glycerol 10.0843 1267.5 2.2 scans 79% 299 m/z 0.13% 0.421% 380 1.1 268 175221 1065333 1065317 0-1 18: 299 300 314 301 211 283 315 207 193 135 302 316 181 225 137 189 212 285 0.966 10.09 -0.5 100 99 95 100 299 165.2 38.134 -0.010 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LACTIC~1-N1034 Glycerol 10.1128 1269.1 3.6 scans 52% 205 m/z 0.89% 0.178% 383 0.7 132 26603 450399 396972 12-1 18: 205 147 117 103 218 206 204 148 175 101 129 149 219 118 89 177 293 220 0.590 10.11 0.1 95 99 58 95 293 10.3 0.603 0.003 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2495 1277.2 2.6 scans 78% 73 m/z 1.9% 0.0387% 396 1.0 73 12363 97891 92287 0-2 9: 73 198 211 77 70 199 74 212 381 0.986 10.24 0.6 94 93 90 94 381 7.5 1.056 0.010 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1176 Isoleucine 10.4442 1288.5 2.8 scans 61% 158 m/z 2.3% 0.0338% 414 0.9 68 10218 0.0404% 85507 85507 102181 0-0 5: 158 159 218 232 160 0.949 10.46 -0.9 90 87 84 95 260 0.0 0.000 -0.015 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1012 Proline 10.5326 1293.7 3.4 scans 90% TIC 0.21% 0.327% 423 0.6 191 111876 2.25% 829437 829437 5690791 0-0 0.992 10.53 -0.1 100 99 99 99 216 34.8 3.309 -0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1014 Maleic acid 10.6031 1297.8 2.5 scans 88% 147 m/z 0.27% 0.246% 429 1.2 198 86335 1.52% 622615 622615 3844446 0-0 20: 147 73 245 148 75 149 83 133 115 74 143 126 246 84 170 66 59 58 247 61 0.966 10.60 0.0 99 98 98 99 245 45.4 5.253 0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1170 Glycine 10.6694 1301.8 3.6 scans 70% TIC 1.1% 0.0572% 436 0.8 100 21599 1.76% 144893 144893 4451464 0-0 0.959 10.69 -1.0 97 97 88 97 276 16.5 2.707 -0.018 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7430 1306.2 2.8 scans 80% 147 m/z 0.083% 1.06% 443 1.3 349 287709 2701471 2356430 6-3 20: 147 76 251 148 149 132 58 133 252 74 177 176 150 118 62 253 59 146 134 222 0.976 10.76 -0.9 100 99 98 99 251 82.8 5.630 -0.015 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN EXBLK5S-N1004 d4-Succinic acid 10.7462 1306.4 3.8 scans 42% 73 m/z (147) 0.17% 0.676% 443 1.6 255 135453 1.18% 1711079 1627014 2984504 1-2 20: 73 74 176 131 57 72 146 175 60 61 115 105 116 206 53 100 179 152 87 102 0.919 10.76 -0.9 91 95 94 97 251 9.1 0.000 -0.016 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1168 Glyceric acid 11.0240 1323.1 2.4 scans 95% 73 m/z 0.26% 0.439% 469 1.1 260 90053 1112754 1087077 1-5 20: 73 147 292 189 133 103 205 293 190 102 117 148 307 75 74 59 294 149 191 101 0.994 11.05 -1.8 100 99 99 100 292 77.2 8.829 -0.030 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0860 1326.9 2.5 scans 59% 184 m/z 6.3% 0.0230% 475 1.1 59 3737 58246 58165 0-1 10: 184 134 285 174 77 86 227 100 286 185 0.838 11.06 1.4 84 84 72 93 285 17.2 8.590 0.023 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1018 Uracil 11.1460 1330.5 2.5 scans 55% 241 m/z 8.2% 0.0102% 481 1.1 40 2907 25979 25979 0-0 4: 241 256 255 242 0.958 11.15 -0.1 95 95 93 99 256 14.1 12.181 -0.002 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1162 Fumaric acid 11.3659 1343.7 2.5 scans 94% 245 m/z 0.31% 0.263% 502 0.9 199 76818 665457 638154 3-1 20: 245 73 147 246 75 143 247 83 240 133 148 149 115 155 84 59 53 74 61 157 0.997 11.39 -1.6 99 98 98 99 245 109.4 30.356 -0.027 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4648 1349.7 3.1 scans 49% 57 m/z 1.1% 0.0869% 511 1.0 103 21261 0.125% 219950 211490 316155 3-0 17: 57 97 115 145 127 56 69 129 111 109 128 59 71 72 146 87 98 0.952 11.45 1.2 94 93 95 97 145 28.8 7.855 0.019 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4785 1350.5 2.8 scans 54% 84 m/z 0.60% 0.137% 512 1.5 129 39768 347493 330864 1-2 16: 84 161 162 119 82 92 85 118 65 51 63 91 78 104 64 120 0.907 10.96 31.5 81 82 89 94 161 33.6 6.820 0.523 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1160 Serine 11.5153 1352.7 2.7 scans 93% TIC 0.17% 0.727% 516 0.8 312 133814 0.869% 1840045 1731318 2197910 0-1 0.986 11.56 -2.5 99 98 95 98 306 30.9 0.978 -0.042 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1022 Thymine 11.6006 1357.8 2.7 scans 72% TIC 2.5% 0.0234% 524 1.9 58 9480 0.951% 59355 54479 2405308 0-2 0.929 11.60 0.0 99 99 92 99 270 19.1 10.948 0.002 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1024 Threonine 11.9215 1377.2 2.6 scans 95% TIC 0.50% 0.273% 555 0.8 191 47471 0.315% 690984 647594 796711 5-0 0.995 11.92 0.1 100 99 99 100 320 17.1 0.804 0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1148 Glutamine?? 13.2872 1462.1 2.8 scans 85% 155 m/z 0.90% 0.0954% 684 1.2 114 26481 0.264% 241531 228442 667720 0-2 11: 155 73 147 156 139 157 74 131 84 230 149 0.979 13.35 -3.8 95 93 94 97 257 8.4 0.539 -0.060 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1146 Malic acid 13.5334 1477.6 2.4 scans 98% 73 m/z 0.064% 1.51% 708 0.8 485 368070 3825272 3825272 0-0 20: 73 147 233 245 133 75 189 148 190 74 175 335 55 149 191 101 234 59 217 265 1.000 13.62 -5.2 100 99 98 99 350 11.2 0.054 -0.084 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1142 Erythritol/Threitol 13.7113 1488.8 2.7 scans 78% 73 m/z 2.1% 0.0672% 725 1.2 92 10932 0.948% 170074 143238 2397720 0-4 18: 73 217 147 205 103 204 307 117 191 189 218 133 206 293 148 116 219 129 0.972 13.89 -11.3 96 96 92 96 320 6.7 0.520 -0.179 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7460 1491.0 2.6 scans 47% 243 m/z (73) 10% 0.0115% 728 0.9 41 2272 0.0117% 29225 29225 29592 0-0 4: 243 115 100 128 0.894 13.81 -3.8 83 87 71 87 243 18.8 21.203 -0.060 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0185 1508.6 2.5 scans 32% 232 m/z (156) 1.0% 0.0728% 754 1.0 105 22874 0.0731% 184129 179705 184887 1-0 18: 232 233 100 218 234 202 188 216 117 221 306 70 130 334 132 142 101 98 0.717 14.02 0.1 92 92 81 99 258 5.2 0.000 0.002 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1140 Aspartic acid 14.0185 1508.6 2.5 scans 60% 232 m/z 0.68% 0.135% 754 1.0 144 35170 0.135% 341632 333424 341447 1-0 18: 232 233 100 218 234 202 188 216 117 221 306 70 130 334 132 142 101 98 0.718 14.09 -4.5 91 89 88 95 349 6.4 0.198 -0.068 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0280 1509.2 2.8 scans 83% 156 m/z 0.48% 0.192% 755 0.9 160 49192 486578 486176 0-1 17: 156 157 258 230 158 259 231 72 140 112 55 260 85 155 84 141 99 0.829 14.03 -0.1 96 94 96 98 258 29.4 3.367 -0.002 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0280 1509.2 2.8 scans 67% 156 m/z (232) 0.48% 0.156% 755 0.9 145 49576 396768 396440 0-1 17: 156 157 258 230 158 259 231 72 140 112 55 260 85 155 84 141 99 0.983 14.11 -5.5 95 95 95 99 273 6.0 0.173 -0.082 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1032 GABA 14.1869 1519.8 2.8 scans 92% TIC 0.27% 0.376% 770 1.1 231 88501 0.994% 953129 898112 2514065 0-3 0.998 14.19 -0.0 100 99 98 99 304 70.3 9.249 -0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3279 1529.1 2.6 scans 32% 239 m/z 6.5% 0.0139% 783 1.2 44 3678 35399 35399 1-0 6: 239 342 174 240 343 241 0.825 14.37 -3.1 85 85 45 91 342 19.1 18.529 -0.046 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6088 1547.7 2.5 scans 90% 73 m/z 0.80% 0.137% 810 1.3 144 29579 348975 332160 1-1 20: 73 292 147 220 205 293 117 217 294 103 148 221 74 319 133 149 291 102 206 222 0.996 14.62 -0.9 98 97 95 97 409 10.8 0.564 -0.012 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7393 1556.4 2.8 scans 67% 174 m/z 0.29% 0.289% 822 1.0 196 79860 732933 727172 1-0 20: 174 175 86 176 91 250 100 59 130 251 65 117 131 162 116 160 172 102 144 158 0.954 14.16 38.1 91 93 90 99 250 36.0 3.369 0.574 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3790 1598.8 2.5 scans 68% 217 m/z 2.7% 0.0328% 883 1.1 73 8543 0.0410% 83161 83161 103699 0-0 6: 217 218 259 219 89 284 0.900 15.44 -4.2 82 81 80 84 393 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1036 Glutamic acic 15.5032 1607.4 2.4 scans 36% 246 m/z 12% 0.00361% 895 1.0 24 1916 9141 9141 0-0 2: 246 128 0.950 15.50 -0.0 83 85 61 85 363 0.0 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1118 Phenylalanine 15.6010 1614.2 2.6 scans 41% 218 m/z 3.0% 0.0230% 904 1.3 57 7866 58272 58272 0-1 5: 218 192 100 219 220 0.836 15.66 -4.0 84 88 57 86 294 2.3 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1038 Xylose 15.8935 1634.5 >3 scans 55% TIC 6.0% 0.0120% 932 1.2 46 3930 0.112% 30446 30446 283275 0-0 0.945 15.89 0.3 86 85 78 92 307 13.7 8.748 0.004 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1040 Xylose 16.0019 1642.0 2.5 scans 84% TIC 1.3% 0.0861% 942 0.8 112 17142 0.167% 217842 204298 422383 0-1 0.986 16.00 -0.1 97 96 95 97 307 30.6 7.460 -0.002 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1042 Ribose 16.1029 1649.0 2.8 scans 85% TIC 1.7% 0.0678% 952 0.8 97 14041 0.282% 171512 154536 713246 1-0 0.992 16.10 0.0 96 94 93 98 307 26.7 7.513 -0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6111 1684.3 2.5 scans 92% 73 m/z 0.71% 0.188% 1000 1.4 167 33326 0.249% 477812 477812 629781 0-0 20: 73 307 319 217 147 103 308 205 320 309 129 306 321 218 189 277 229 74 117 148 0.996 16.68 -4.5 100 99 98 99 497 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9236 1706.3 2.7 scans 65% 217 m/z 4.9% 0.0289% 1030 1.0 70 4855 0.132% 73227 73227 333860 0-0 12: 217 103 205 147 307 319 129 204 218 320 189 308 0.981 16.99 -4.8 91 91 87 91 422 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9941 1711.5 2.9 scans 89% TIC 1.0% 0.142% 1037 0.9 137 22957 0.594% 360702 340419 1502369 0-4 0.992 17.06 -5.0 95 95 93 95 510 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1096 Putrescine 17.1867 1725.5 2.6 scans 62% 174 m/z 0.95% 0.0542% 1055 1.1 88 24942 137166 131322 2-2 15: 174 175 214 176 86 172 200 100 361 130 173 187 146 142 215 0.991 17.25 -4.5 98 98 97 98 458 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1044 Putrescine 17.1867 1725.5 2.6 scans 71% 174 m/z (73) 0.95% 0.0628% 1055 1.1 94 25003 158939 152168 2-2 15: 174 175 214 176 86 172 200 100 361 130 173 187 146 142 215 0.991 17.19 -0.1 96 98 94 98 376 6.5 0.475 -0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5655 1753.2 2.5 scans 90% 217 m/z 0.35% 0.243% 1091 1.1 193 67757 0.399% 616570 551940 1009167 0-2 19: 217 73 218 147 450 219 305 451 74 232 191 133 257 148 149 204 129 169 452 0.997 17.63 -4.8 94 93 93 94 450 31.9 2.746 -0.067 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6949 1762.6 2.7 scans 91% TIC 0.50% 0.323% 1103 1.0 209 46902 0.532% 818953 770904 1345556 0-3 0.998 17.70 -0.3 99 98 97 99 375 23.6 1.276 -0.004 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1046 Shikimic acid 18.1231 1793.9 2.6 scans 66% 204 m/z 1.6% 0.0537% 1144 1.0 85 14571 135906 124287 4-1 7: 204 205 206 255 357 372 254 0.928 18.13 -0.1 91 92 85 92 372 10.3 1.439 -0.002 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1048 Citric acid 18.2462 1803.0 2.6 scans 53% 273 m/z (370) 2.6% 0.0564% 1156 1.0 88 8962 0.0592% 142677 136127 149731 3-0 13: 273 363 274 347 375 465 149 364 211 466 221 183 348 0.973 18.24 0.2 96 97 95 99 465 13.6 2.377 0.002 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1076 Pregnane?? 18.7787 1843.6 2.6 scans 96% 345 m/z 0.044% 2.74% 1206 0.9 626 535025 6939033 6565434 1-1 20: 345 73 346 255 147 347 204 191 334 256 419 435 133 74 372 257 148 239 75 348 0.999 18.86 -6.1 100 100 99 100 537 47.2 0.570 -0.079 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1074 Adenine 18.8755 1851.0 3.1 scans 29% 264 m/z 9.1% 0.00637% 1215 1.4 27 2610 0.0470% 16112 16112 118874 0-0 3: 264 265 279 0.967 18.94 -4.9 85 85 74 92 415 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1072 Fructose 18.9649 1857.8 2.8 scans 98% 73 m/z 0.020% 7.81% 1224 0.6 1031 1159086 19767604 19718224 2-0 20: 73 307 217 103 147 308 218 277 133 309 364 74 205 189 117 219 104 89 148 191 1.000 19.03 -5.2 100 98 99 100 364 117.1 1.296 -0.068 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1052 Fructose 19.0838 1866.9 3.0 scans 96% 73 m/z 0.031% 6.28% 1235 0.5 834 760086 15888972 14875906 2-1 20: 73 307 217 103 147 308 218 277 364 309 205 133 74 89 117 262 219 189 148 204 0.999 19.10 -1.5 100 99 99 99 364 95.6 1.318 -0.020 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN WTF2-N1020 Mannose 19.1375 1871.0 >3 scans 57% 319 m/z 3.6% 0.0302% 1240 1.6 76 6493 10.0% 76413 76413 25292406 0-0 8: 319 205 73 160 320 147 321 318 0.974 18.73 31.5 87 90 87 94 319 28.4 14.015 0.412 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1054 Galactose 19.1985 1875.6 3.1 scans 80% TIC 1.2% 0.101% 1246 1.8 121 18865 19.0% 257429 257429 48055572 0-0 0.996 19.22 -1.4 92 89 91 96 376 0.0 0.000 -0.018 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1064 Mannose 19.2932 1882.9 3.0 scans 97% 319 m/z 0.023% 8.50% 1255 0.6 1034 1032651 21509967 20839151 1-1 20: 319 73 205 147 320 160 217 321 103 206 117 133 229 74 129 157 148 189 204 207 0.998 19.45 -12.3 100 98 99 100 319 400.3 15.048 -0.162 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1059 Glucose 19.5257 1900.6 2.9 scans 94% TIC 0.085% 1.89% 1277 0.7 481 280886 4803203 4670408 1-1 0.993 19.55 -2.1 100 99 99 99 376 18.7 0.151 -0.026 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7056 1915.1 2.9 scans 75% 73 m/z 3.2% 0.0363% 1294 1.6 72 7363 0.126% 91891 91891 318684 0-0 12: 73 319 244 205 147 320 217 117 307 103 206 321 0.990 19.79 -6.8 92 92 87 92 434 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1056 Ascorbic acid 19.8929 1930.1 2.4 scans 65% 332 m/z 3.4% 0.0290% 1312 1.0 68 6937 73469 73469 0-0 6: 332 333 334 374 359 345 0.913 19.99 -7.6 90 90 83 90 449 7.2 1.127 -0.093 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2886 1961.9 3.0 scans 80% TIC 1.0% 0.122% 1350 1.0 126 22546 309376 308408 0-1 0.875 20.30 -0.6 92 94 90 93 433 12.4 0.963 -0.007 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6690 2076.2 3.0 scans 98% 305 m/z 0.018% 12.4% 1481 0.6 1266 1319966 31404423 31386188 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 367 133 129 291 219 1.000 21.75 -6.7 100 99 99 100 507 104.9 0.689 -0.080 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8605 2092.3 3.2 scans 97% 319 m/z 0.11% 1.64% 1499 1.1 432 204908 4155583 3982864 1-2 20: 319 73 205 147 320 217 103 321 262 206 117 74 204 89 133 229 148 157 129 207 0.998 21.93 -5.8 96 93 96 99 656 9.8 0.051 -0.069 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1815 2120.0 2.8 scans 90% TIC 0.43% 0.340% 1530 1.1 213 55046 0.396% 862417 862417 1001579 0-0 0.967 22.19 -0.5 98 98 95 98 396 92.6 18.817 -0.005 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6707 2162.8 3.0 scans 93% 204 m/z 0.80% 0.130% 1576 1.2 131 29866 0.255% 330599 317984 644956 1-0 20: 204 73 205 147 217 361 145 117 129 74 362 191 131 133 103 75 219 305 231 243 0.998 22.71 -3.7 94 92 95 96 518 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1312 2294.5 2.5 scans 70% 204 m/z 7.2% 0.0116% 1715 1.1 39 3294 0.0275% 29393 23498 69554 0-2 3: 204 337 205 0.960 24.01 11.0 86 86 80 86 490 0.0 0.000 0.121 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6541 2344.0 3.3 scans 97% 73 m/z 0.44% 0.524% 1765 0.5 224 54107 1325599 1320503 0-1 20: 73 147 331 217 191 421 205 262 103 307 319 332 74 218 259 117 306 376 333 308 0.999 24.65 0.4 100 99 98 99 466 13.3 0.349 0.004 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4471 2520.0 2.7 scans 86% 73 m/z 4.1% 0.0408% 1935 0.9 65 5771 0.113% 103271 72376 285804 20-1 12: 73 217 204 129 147 218 740 74 205 131 117 305 0.989 26.52 -7.6 87 87 81 87 740 8.7 1.759 -0.074 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5323 2528.9 2.8 scans 71% 512 m/z 3.0% 0.0577% 1943 1.0 90 7759 146063 145851 0-1 16: 512 455 247 513 456 483 57 514 349 457 207 497 248 203 249 515 0.984 26.57 -4.2 95 95 83 95 512 34.8 14.875 -0.041 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1010 Sucrose 27.4025 2619.4 5.8 scans 98% 438 m/z 0.0075% 31.0% 2026 0.8 1464 3179367 78597624 77747364 1-0 17: 438 439 453 71 435 366 464 289 481 378 224 421 350 110 65 566 417 0.998 27.58 -18.8 100 99 98 99 437 291.3 3.989 -0.177 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1020 Sucrose 27.4025 2619.4 5.8 scans 9.2% 438 m/z (361) 0.061% 2.95% 2026 0.8 450 385787 7482260 7401317 1-0 17: 438 439 453 71 435 366 464 289 481 378 224 421 350 110 65 566 417 0.479 27.46 -6.2 91 92 87 99 437 245.1 29.764 -0.059 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1018 Sucrose 27.4088 2620.0 5.7 scans 50% 362 m/z (73) 0.0084% 15.9% 2026 0.2 1044 2822752 40422422 39952175 1-0 20: 362 363 437 451 319 229 440 321 365 259 450 220 232 346 105 233 159 348 441 335 0.847 27.47 -6.5 93 97 61 95 437 291.3 7.876 -0.061 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN LQC1-N1014 Sucrose 27.4204 2621.3 5.7 scans 71% 361 m/z (73) 0.0074% 22.9% 2028 0.2 1263 3192631 58074776 56815543 1-1 20: 361 217 147 271 218 169 129 243 319 191 331 219 272 205 204 189 230 148 133 117 0.960 27.49 -7.4 97 98 80 98 437 290.1 5.329 -0.070 G:\GCMS data\Nicotiana Panel polar\BQLD_REP4.FIN TAB_REP6-N1070 Sucrose 27.4204 2621.3 5.7 scans 66% 361 m/z (362) 0.014% 21.3% 2028 0.2 1217 1599049 53952826 52782969 1-1 20: 361 217 147 271 218 169 129 243 319 191 331 219 272 205 204 189 230 148 133 117 0.968 27.41 1.2 88 91 65 93 451 13.5 0.000 0.010 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN EXBLK5S-N1006 Contamination 6.3867 1049.2 5.3 scans 54% 207 m/z 1.2% 0.161% 28 1.5 87 18294 0.212% 456178 292037 598879 11-8 10: 207 295 208 209 296 191 297 279 193 189 0.980 6.63 -14.1 97 96 88 96 295 28.6 10.815 -0.238 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1194 Alanine 7.4673 1113.2 19.1 scans 58% TIC 1.7% 0.113% 131 1.2 75 13672 0.249% 320890 320890 703401 0-0 0.933 7.40 3.7 92 93 88 94 283 0.0 0.000 0.063 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN A-KETO~2-N1006 Contamination?? 8.0071 1145.2 2.6 scans 73% 156 m/z 2.3% 0.0364% 183 1.1 74 10272 103072 98175 10-2 6: 156 75 55 157 54 61 0.984 7.96 3.0 98 98 95 98 156 39.2 27.822 0.050 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1192 Contamination 8.0881 1150.0 2.7 scans 59% TIC 4.2% 0.0210% 190 1.8 61 5628 0.105% 59472 58970 296615 1-0 0.886 7.99 5.8 92 93 88 94 235 11.8 3.714 0.099 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN WTF2-N1026 Cadaverine NC 8.2102 1157.3 3.6 scans 38% 174 m/z (142) 3.4% 0.0277% 202 0.8 50 6788 0.0357% 78271 65743 100849 0-9 6: 174 216 175 86 130 160 0.893 7.74 28.1 89 96 80 94 216 13.2 6.960 0.474 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1188 Contamination 8.3922 1168.1 3.3 scans 69% 281 m/z 3.0% 0.0450% 219 1.6 65 7862 0.0476% 127280 112513 134465 0-6 8: 281 369 282 283 370 191 265 371 0.972 8.41 -1.3 97 97 81 98 369 19.3 8.738 -0.023 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1184 Valine 9.2266 1217.3 5.6 scans 65% 144 m/z (156) 3.0% 0.0385% 299 0.4 54 7903 0.0514% 108915 107522 145200 0-4 5: 144 73 218 145 146 0.952 9.19 2.3 93 95 88 96 218 16.5 9.427 0.039 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1180 Benzoic acid 9.7895 1250.2 2.9 scans 64% 179 m/z 5.8% 0.0189% 352 0.6 49 4024 53613 50561 1-1 6: 179 105 135 77 194 180 0.903 9.76 1.7 88 85 81 97 194 7.6 2.470 0.031 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1178 Ethanolamine 10.0126 1263.3 6.9 scans 51% TIC 7.7% 0.0141% 373 0.6 36 3044 0.488% 40060 40060 1378553 0-0 0.840 10.03 -1.2 83 82 71 90 262 0.0 0.000 -0.021 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN VEN77_S6-N1002 Glycerol 10.1052 1268.7 2.6 scans 87% TIC 0.090% 0.781% 382 1.3 338 261955 2206922 2035281 1-2 0.938 10.09 0.7 100 99 96 100 299 197.8 34.334 0.011 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1176 Isoleucine 10.4598 1289.5 3.1 scans 36% 158 m/z 3.2% 0.0186% 416 0.7 46 7312 0.0195% 52807 45776 55086 5-3 4: 158 218 159 232 0.797 10.46 0.1 91 93 68 94 260 4.5 0.968 0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1012 Proline 10.5482 1294.6 3.0 scans 66% 142 m/z 0.34% 0.142% 424 0.6 131 68145 0.163% 401742 355121 460459 5-1 11: 142 143 216 144 66 141 217 148 68 244 140 0.795 10.53 0.8 99 98 77 98 216 26.4 4.087 0.015 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6176 1298.7 2.6 scans 86% 147 m/z 0.40% 0.176% 431 1.2 168 58417 1.26% 499828 499828 3559378 0-0 20: 147 73 245 148 75 149 83 74 143 91 246 133 170 84 126 72 54 61 68 85 0.918 10.60 0.9 96 96 94 98 245 34.2 4.144 0.016 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1170 Glycine 10.6839 1302.6 4.2 scans 55% TIC 1.8% 0.0233% 437 0.8 76 12733 1.08% 66013 66013 3050895 0-0 0.931 10.69 -0.2 95 96 87 96 276 12.7 2.762 -0.003 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7575 1307.1 2.8 scans 91% TIC 0.067% 1.13% 444 1.4 386 352108 1.38% 3196036 2937656 3898366 3-1 0.965 10.76 -0.0 99 98 97 99 251 87.1 5.114 -0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1168 Glyceric acid 11.0385 1324.0 2.5 scans 97% 73 m/z 0.16% 0.639% 471 1.0 320 144978 1806786 1801247 2-0 20: 73 147 292 189 133 103 205 293 102 148 117 190 307 75 74 294 101 59 149 191 0.997 11.05 -0.9 100 99 99 100 292 93.7 8.571 -0.016 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.1016 1327.8 2.6 scans 57% 184 m/z 10% 0.0117% 477 1.0 43 2287 33327 31288 1-1 7: 184 134 285 174 267 86 110 1.000 11.06 2.3 85 84 81 92 285 12.3 8.289 0.039 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1018 Uracil 11.1584 1331.2 2.4 scans 50% 241 m/z 9.9% 0.00678% 482 1.2 34 2387 0.00713% 19170 19170 20142 0-0 5: 241 255 256 99 242 0.983 11.15 0.6 96 97 97 99 256 12.1 12.941 0.010 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1162 Fumaric acid 11.3752 1344.3 2.5 scans 92% 245 m/z 0.50% 0.151% 503 0.9 153 47169 0.492% 428455 404182 1389852 2-3 19: 245 73 147 246 75 143 83 240 133 148 115 149 84 155 74 53 61 59 127 0.993 11.39 -1.0 98 98 96 98 245 83.9 30.173 -0.018 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4730 1350.2 3.5 scans 45% 57 m/z (84) 1.3% 0.0653% 512 0.8 86 17090 0.0746% 184498 178482 210738 1-0 10: 57 97 145 115 127 69 129 56 109 71 0.975 11.45 1.7 88 88 90 95 145 25.3 8.634 0.027 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN WTF2-N1024 Contamination 10.96min 11.4951 1351.5 2.9 scans 69% 84 m/z 0.37% 0.190% 514 1.2 164 63630 538449 502219 2-1 18: 84 161 162 92 119 51 82 85 65 118 63 78 91 163 64 120 106 93 0.969 10.96 32.5 86 86 91 96 161 41.3 6.315 0.539 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1160 Serine 11.5235 1353.2 3.0 scans 76% TIC 0.23% 0.669% 517 0.5 267 102178 1890934 1754417 4-1 0.906 11.56 -2.0 98 98 92 98 306 26.8 1.009 -0.033 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1020 Serine 11.5235 1353.2 2.5 scans 83% 204 m/z 0.20% 0.496% 517 0.9 279 114899 1402512 1326459 2-1 20: 204 73 218 205 147 100 219 278 206 75 74 306 220 59 116 216 132 103 148 279 0.950 11.51 0.6 99 99 96 99 306 28.4 1.037 0.011 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN BRA4_R~2-N1008 Thymine 11.6067 1358.2 3.0 scans 62% 255 m/z 3.6% 0.0146% 525 0.8 44 6538 41385 41385 1-0 5: 255 256 270 257 271 0.975 11.58 1.4 98 98 92 99 270 15.5 12.393 0.023 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1022 Thymine 11.6077 1358.3 3.0 scans 64% TIC 3.6% 0.00928% 525 0.9 45 6538 0.719% 26237 26237 2031105 0-0 0.940 11.60 0.5 97 98 88 98 270 15.7 12.377 0.009 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1024 Threonine 11.9276 1377.5 2.5 scans 93% 73 m/z 0.48% 0.226% 555 1.1 192 49178 640535 610993 1-1 20: 73 218 219 117 291 147 292 101 220 57 74 75 100 203 133 293 128 221 132 129 0.996 11.92 0.4 100 99 99 100 320 17.1 0.792 0.007 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1148 Glutamine?? 13.2923 1462.4 2.6 scans 78% 155 m/z 1.9% 0.0390% 685 1.0 78 12072 0.0406% 110356 108649 114691 1-0 6: 155 156 229 139 157 100 0.941 13.35 -3.5 87 83 87 94 257 5.4 0.473 -0.055 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1146 Malic acid 13.5364 1477.8 2.4 scans 98% 73 m/z 0.050% 1.69% 708 0.9 538 472571 4794002 4748302 1-0 20: 73 147 233 245 133 75 148 189 190 74 55 175 191 335 149 101 234 59 217 265 1.000 13.62 -5.0 100 99 98 99 350 13.1 0.059 -0.081 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1142 Erythritol/Threitol 13.7121 1488.9 2.6 scans 69% 73 m/z (84) 1.9% 0.0563% 725 1.0 93 12018 1.19% 159288 158431 3361635 1-0 15: 73 217 205 147 103 307 204 189 117 191 206 293 74 148 129 0.986 13.89 -11.2 94 96 94 96 320 6.7 0.519 -0.178 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.7479 1491.1 2.7 scans 53% 100 m/z (73) 11% 0.0115% 728 1.0 42 2090 0.0119% 32590 32590 33616 0-0 4: 100 115 243 128 0.923 13.81 -3.7 86 89 77 89 243 15.9 14.236 -0.058 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0193 1508.6 2.6 scans 24% 232 m/z (73) 1.3% 0.0454% 754 1.2 86 17176 128333 127639 0-2 10: 232 233 100 218 234 202 188 216 221 306 0.886 14.02 0.1 93 94 91 97 258 5.1 0.000 0.002 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1140 Aspartic acid 14.0288 1509.3 3.2 scans 61% 73 m/z (156) 0.53% 0.172% 755 0.9 149 44308 486501 481573 1-0 20: 73 147 258 158 75 74 148 72 259 231 133 149 59 58 86 66 55 85 154 131 0.946 14.09 -3.8 89 89 88 93 349 7.1 0.229 -0.058 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0288 1509.3 3.2 scans 82% 73 m/z 0.39% 0.221% 755 0.9 172 59982 625295 618961 1-0 20: 73 147 258 158 75 74 148 72 259 231 133 149 59 58 86 66 55 85 154 131 0.878 14.03 -0.0 98 97 98 99 258 31.8 3.404 -0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0320 1509.5 2.8 scans 73% 156 m/z (232) 0.37% 0.191% 755 1.0 163 63604 541697 496391 1-1 20: 156 147 157 230 258 158 148 121 72 259 231 140 112 86 66 55 85 67 154 141 0.984 14.11 -5.2 96 98 96 99 273 6.0 0.135 -0.078 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1134 GABA 14.1877 1519.8 3.0 scans 92% TIC 0.28% 0.334% 770 1.1 221 82999 0.870% 946045 882973 2457666 0-3 0.998 14.24 -3.6 99 98 97 98 304 66.8 9.099 -0.054 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3603 1531.3 8.9 scans 78% TIC 3.4% 0.0313% 786 2.5 64 6930 0.970% 88553 87326 2740156 0-2 0.981 14.62 -17.3 91 90 86 91 409 4.8 0.559 -0.261 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6086 1547.7 2.5 scans 93% 73 m/z 0.47% 0.199% 810 1.2 180 49516 563515 542087 1-1 20: 73 292 147 220 205 293 217 117 103 221 294 133 74 148 319 291 149 102 131 75 0.997 14.69 -5.5 99 98 96 98 409 13.4 0.552 -0.083 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7422 1556.6 2.8 scans 88% 174 m/z 0.32% 0.241% 823 0.9 185 72779 682871 682871 0-0 19: 174 175 86 176 250 100 59 130 251 65 117 162 131 116 144 121 158 87 172 0.970 14.16 38.3 91 93 90 99 250 33.6 3.299 0.577 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1118 Phenylalanine 15.6018 1614.2 2.7 scans 39% 218 m/z 3.5% 0.0187% 904 1.1 52 6604 53005 53005 0-1 5: 218 192 219 266 220 0.769 15.66 -4.0 88 93 56 90 294 4.4 0.715 -0.057 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1038 Xylose 15.8901 1634.2 >3 scans 54% TIC 5.7% 0.00969% 932 1.1 45 4101 0.169% 27377 27377 477409 0-0 0.926 15.89 0.0 90 90 83 92 307 12.3 7.566 0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1040 Xylose 16.0027 1642.1 2.7 scans 84% 73 m/z 1.2% 0.0835% 942 0.9 112 18499 0.147% 235883 235883 415261 0-0 20: 73 103 307 217 147 189 308 160 277 205 74 204 117 309 104 59 234 191 105 219 0.986 16.00 -0.0 97 96 95 97 307 29.4 6.939 -0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1042 Ribose 16.1016 1648.9 2.8 scans 84% TIC 1.7% 0.0554% 952 0.7 93 13629 0.212% 156653 156653 598879 0-0 0.994 16.10 -0.1 97 96 96 98 307 26.0 7.877 -0.001 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6109 1684.3 2.5 scans 92% 73 m/z 0.71% 0.168% 1000 1.4 161 33372 0.217% 475147 475147 613004 0-0 20: 73 319 307 147 103 217 308 205 320 306 129 218 74 321 277 309 133 148 189 117 0.996 16.68 -4.5 100 99 98 99 497 4.0 0.063 -0.065 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1104 Rhamnose 16.8729 1702.6 2.8 scans 71% 117 m/z (217) 2.9% 0.0336% 1025 1.1 70 7997 0.123% 95091 91036 347463 2-0 6: 117 160 277 118 219 305 0.969 16.93 -4.3 81 83 84 87 392 7.1 1.034 -0.059 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9224 1706.2 2.5 scans 62% 217 m/z 4.9% 0.0234% 1030 0.9 64 4763 0.217% 66279 66279 613004 0-0 10: 217 307 319 205 103 218 129 204 189 308 0.965 16.99 -4.9 89 90 84 90 422 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9950 1711.5 2.8 scans 88% TIC 0.88% 0.150% 1037 1.2 145 26940 0.543% 426206 390914 1533922 0-2 0.990 17.06 -5.0 95 94 94 95 510 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1096 Putrescine 17.1864 1725.5 2.8 scans 50% 174 m/z 1.7% 0.0255% 1055 1.1 61 13813 72130 71913 1-0 7: 174 175 176 214 86 172 200 0.959 17.25 -4.5 96 96 92 96 458 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5652 1753.2 2.6 scans 89% 217 m/z 0.35% 0.221% 1091 1.1 186 67720 0.424% 624899 566216 1197759 0-1 18: 217 73 218 147 450 219 305 74 191 451 232 148 257 149 129 203 204 452 0.996 17.63 -4.8 95 94 94 95 450 29.6 2.537 -0.067 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6936 1762.5 3.1 scans 89% TIC 0.43% 0.385% 1103 0.8 210 54887 0.583% 1088879 1088596 1646918 0-1 0.985 17.70 -0.4 99 98 97 99 375 22.9 1.191 -0.005 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1229 1793.9 2.6 scans 72% 204 m/z 1.0% 0.0745% 1144 0.9 108 23232 0.0752% 210547 209882 212433 3-0 12: 204 205 357 206 255 372 254 331 359 462 358 256 0.922 18.13 -0.1 94 94 89 95 372 13.2 1.496 -0.002 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1048 Citric acid 18.2439 1802.8 2.7 scans 54% 273 m/z 3.1% 0.0407% 1155 1.1 75 7438 0.0416% 115053 107709 117516 1-1 16: 273 375 347 363 465 274 275 211 348 466 376 364 305 221 183 377 0.787 18.24 0.0 98 98 75 98 465 14.2 3.535 -0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1076 Pregnane?? 18.7826 1843.9 2.5 scans 97% 345 m/z 0.037% 2.91% 1207 0.7 667 630993 8242126 7870860 1-1 20: 345 73 346 255 147 347 334 204 191 256 435 133 419 257 372 74 148 239 75 348 0.999 18.86 -5.8 100 99 99 100 537 50.0 0.564 -0.075 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1072 Fructose 18.9647 1857.8 2.8 scans 98% 73 m/z 0.020% 6.92% 1224 0.7 1003 1181560 19574452 19539845 2-0 20: 73 307 217 103 147 308 277 218 133 309 364 74 117 189 205 104 219 89 148 75 1.000 19.03 -5.2 100 98 99 100 364 111.0 1.231 -0.068 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1052 Fructose 19.0857 1867.0 2.9 scans 95% 73 m/z 0.031% 5.57% 1235 0.5 806 751163 15748779 14344134 3-1 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 89 117 262 219 189 104 148 0.999 19.10 -1.4 100 99 100 99 364 91.0 1.278 -0.018 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN BRA4_R~2-N1004 Galactose 19.1330 1870.6 >3 scans 57% TIC 3.5% 0.0239% 1240 1.7 75 6662 12.4% 67794 67794 35028797 0-0 0.969 19.36 -17.5 81 77 76 89 364 4.1 0.299 -0.228 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1054 Galactose 19.1983 1875.6 3.0 scans 75% TIC 1.1% 0.0845% 1246 1.5 124 20690 16.2% 238795 238795 45763429 0-0 0.987 19.22 -1.4 87 83 90 96 376 4.6 0.139 -0.018 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1064 Mannose 19.2971 1883.2 2.9 scans 97% 319 m/z 0.022% 7.72% 1256 0.5 1022 1062082 21825113 21157704 1-1 20: 319 73 205 147 320 160 217 321 103 206 117 229 133 74 129 157 148 189 204 207 0.999 19.45 -12.0 100 99 99 100 319 396.1 15.093 -0.158 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1059 Glucose 19.5265 1900.7 3.2 scans 94% TIC 0.093% 1.57% 1277 0.6 436 255048 4435778 4435778 0-0 0.993 19.55 -2.0 100 99 99 99 376 16.2 0.138 -0.025 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7054 1915.1 2.6 scans 87% TIC 1.0% 0.0966% 1294 1.5 120 22929 0.270% 272984 272984 762724 0-0 0.989 19.79 -6.8 81 80 85 81 434 0.0 0.000 -0.086 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1056 Ascorbic acid 19.8938 1930.2 2.8 scans 78% 73 m/z 1.4% 0.0617% 1312 0.8 101 16010 0.212% 174433 171934 598879 1-0 18: 73 332 147 205 117 359 74 259 206 133 148 361 449 149 331 345 260 207 0.957 19.99 -7.5 94 94 89 94 449 10.1 1.003 -0.092 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2873 1961.8 3.2 scans 73% TIC 1.6% 0.0717% 1350 1.1 98 14530 0.0729% 202826 199387 205935 2-1 0.841 20.30 -0.7 89 92 87 90 433 10.1 1.068 -0.009 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6762 2076.8 3.0 scans 97% 305 m/z 0.015% 13.6% 1482 0.4 1325 1510347 38539977 36705911 1-1 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 320 367 433 129 133 291 219 1.000 21.75 -6.1 100 100 100 100 507 104.5 0.624 -0.073 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8582 2092.1 3.0 scans 96% 319 m/z 0.10% 1.51% 1499 1.0 441 226327 4282370 4010061 1-2 20: 319 73 205 147 320 217 103 321 262 206 204 117 74 133 229 89 157 129 148 207 0.998 21.93 -6.0 96 93 96 99 656 8.9 0.041 -0.072 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1802 2119.9 2.6 scans 89% 396 m/z 0.31% 0.410% 1530 1.0 247 74920 1159522 1119593 1-4 20: 396 219 73 397 381 398 220 191 307 382 249 293 74 75 399 221 308 383 175 233 0.953 22.19 -0.6 99 99 97 99 396 105.8 18.337 -0.006 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6673 2162.5 2.9 scans 91% 204 m/z 0.77% 0.121% 1576 1.2 130 30710 0.251% 344145 306921 709051 2-0 20: 204 73 205 147 217 145 361 206 117 218 191 74 362 129 305 75 363 263 103 219 0.999 22.71 -4.0 92 90 93 95 518 0.0 0.000 -0.047 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6497 2343.6 3.4 scans 95% 73 m/z 0.41% 0.481% 1764 0.5 222 56856 1360725 1316780 1-1 20: 73 147 191 331 217 307 421 262 205 103 319 332 305 259 74 308 422 117 204 333 0.999 24.65 0.0 100 99 98 99 466 12.9 0.338 -0.000 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5300 2528.6 2.7 scans 72% 512 m/z 2.7% 0.0514% 1943 0.9 89 8524 145458 143140 1-0 17: 512 455 513 247 456 514 57 483 349 248 457 207 263 423 409 484 203 0.944 26.57 -4.5 96 96 83 96 512 33.5 14.105 -0.043 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN WTF2-N1032 Sucrose 26.6478 2540.8 2.9 scans 68% 361 m/z 16% 0.00791% 1954 0.9 35 1478 22350 20875 0-1 5: 361 73 273 437 217 0.953 26.87 -22.9 81 84 75 84 451 3.5 0.975 -0.222 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1020 Sucrose 27.4033 2619.5 7.0 scans 10% 437 m/z (361) 0.043% 3.53% 2026 1.0 463 543463 9972083 9936377 1-0 20: 437 451 438 439 452 450 293 454 435 159 274 289 366 202 277 294 349 278 308 288 0.773 27.46 -6.1 95 96 95 99 437 284.9 38.000 -0.058 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1010 Sucrose 27.4033 2619.5 7.0 scans 100% 437 m/z 0.0073% 34.7% 2026 1.0 1466 3214738 98236639 97884890 1-0 20: 437 451 438 439 452 450 293 454 435 159 274 289 366 202 277 294 349 278 308 288 0.998 27.58 -18.7 100 99 98 99 437 284.8 3.802 -0.176 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1018 Sucrose 27.4085 2620.0 6.9 scans 49% 363 m/z (73) 0.0073% 17.2% 2026 0.2 1027 3214738 48633783 48392042 1-0 20: 363 320 272 453 365 333 183 173 241 233 347 207 304 307 234 151 463 201 335 118 0.901 27.47 -6.5 89 93 55 91 437 284.9 7.764 -0.061 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN TAB_REP6-N1070 Sucrose 27.4128 2620.5 6.9 scans 89% 361 m/z (437) 0.0079% 31.3% 2027 0.2 1390 2990346 88696919 88514865 1-0 20: 361 362 363 319 364 331 230 245 229 257 183 175 292 322 161 373 323 279 481 194 0.999 27.41 0.4 89 87 73 98 451 0.0 0.000 0.003 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1014 Sucrose 27.4180 2621.0 >5 scans 94% 147 m/z 0.0073% 27.4% 2027 0.3 1432 3214738 33.9% 77469273 73911432 95764212 1-0 19: 147 219 204 305 345 157 273 206 232 142 435 348 261 334 449 68 310 315 301 1.000 27.49 -7.7 100 100 99 100 437 283.5 3.952 -0.072 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1008 Sucrose 27.4222 2621.5 6.9 scans 99% 332 m/z 0.0073% 34.7% 2028 0.2 1464 3214738 98219228 97355337 1-0 20: 332 321 206 246 333 347 435 260 348 239 295 377 393 464 379 287 349 308 350 311 0.999 27.59 -18.0 100 98 97 99 437 281.3 3.719 -0.169 G:\GCMS data\Nicotiana Panel polar\BQLD_REP6.FIN LQC1-N1016 Sucrose 27.4264 2621.9 6.8 scans 51% 259 m/z (361) 0.014% 17.4% 2028 0.2 1056 1628119 49398367 49127934 1-0 20: 259 332 306 293 246 346 156 83 263 54 167 358 208 172 239 213 162 164 393 379 0.984 27.48 -5.4 89 89 94 94 437 16.5 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN EXBLK5S-N1006 Contamination 6.5898 1061.2 2.9 scans 77% 207 m/z 0.65% 0.117% 48 1.5 135 36776 0.299% 389948 326410 994083 10-4 19: 207 73 295 208 209 191 296 297 279 74 193 133 263 280 131 192 177 247 210 0.987 6.63 -2.1 99 99 96 99 295 40.8 9.196 -0.035 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.7781 1072.4 10.4 scans 49% 117 m/z 4.3% 0.0278% 66 0.6 59 5591 0.134% 92533 91425 445509 0-2 6: 117 147 73 190 191 118 0.937 6.82 -2.5 93 91 89 99 295 2.9 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1194 Alanine 7.3842 1108.3 7.3 scans 57% 116 m/z 3.3% 0.0368% 123 0.8 51 7248 0.0455% 122465 116020 151273 0-6 1: 116 0.966 7.40 -1.2 93 93 89 93 283 4.5 0.776 -0.020 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN A-KETO~2-N1006 Contamination?? 7.8903 1138.3 2.5 scans 63% 156 m/z 4.2% 0.0183% 171 1.3 54 5671 60963 44114 9-15 5: 156 75 55 157 54 0.970 7.96 -3.9 94 93 90 97 156 30.1 31.565 -0.067 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1192 Contamination 7.9745 1143.3 2.7 scans 67% 147 m/z 6.0% 0.0165% 179 1.3 57 4021 0.0391% 55024 48732 129995 2-0 10: 147 73 133 220 235 100 146 167 72 59 0.959 7.99 -0.9 89 90 83 90 235 10.5 3.397 -0.015 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN WTF2-N1026 Cadaverine NC 8.1818 1155.6 2.8 scans 78% 174 m/z 1.9% 0.0429% 199 1.3 76 12429 142865 100069 8-4 8: 174 216 73 175 86 160 59 100 0.988 7.74 26.4 96 96 92 99 216 18.2 5.718 0.446 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1188 Contamination 8.3701 1166.8 4.1 scans 69% 281 m/z 3.0% 0.0371% 217 1.7 65 7916 0.0379% 123407 104654 126006 2-10 9: 281 369 282 283 265 370 371 249 148 0.880 8.41 -2.6 98 98 95 98 369 20.6 10.175 -0.045 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1190 Contamination 8.4059 1168.9 3.9 scans 55% 73 m/z 5.7% 0.0197% 221 1.4 51 4229 0.0407% 65707 64698 135315 0-2 9: 73 140 211 198 77 186 70 126 69 0.956 8.48 -4.6 83 85 78 85 309 4.5 0.793 -0.078 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1184 Valine 9.1603 1213.4 3.3 scans 58% 144 m/z 5.3% 0.0103% 292 0.8 39 4535 34571 30935 4-1 3: 144 218 145 0.979 9.19 -1.6 92 92 83 92 218 13.1 11.273 -0.028 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1180 Benzoic acid 9.7274 1246.6 3.2 scans 82% TIC 2.3% 0.0366% 346 0.8 77 10461 121693 117672 0-4 0.959 9.76 -1.9 97 96 92 98 194 12.0 2.452 -0.032 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1178 Ethanolamine 9.9926 1262.1 3.4 scans 73% 174 m/z 2.3% 0.0281% 371 0.9 62 10273 0.0574% 93705 83204 190837 3-0 6: 174 175 86 176 100 133 0.975 10.03 -2.4 96 96 90 96 262 7.0 1.253 -0.041 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN VEN77_S6-N1002 Glycerol 10.0568 1265.9 2.5 scans 92% TIC 0.13% 0.445% 377 1.8 277 173323 1481244 1466618 0-2 0.989 10.09 -2.1 100 99 96 100 299 166.5 36.084 -0.037 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LACTIC~1-N1034 Glycerol 10.0883 1267.7 3.2 scans 76% 205 m/z (299) 1.2% 0.109% 380 0.7 120 18667 0.117% 365147 331640 388989 2-2 11: 205 147 117 218 103 206 148 204 219 129 149 0.974 10.11 -1.3 95 96 95 99 293 7.6 0.404 -0.022 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2251 1275.7 2.7 scans 86% 73 m/z 1.7% 0.0358% 393 1.1 81 13869 119259 113224 1-1 9: 73 198 77 199 74 239 381 212 289 0.989 10.24 -0.9 96 95 93 96 381 9.6 1.381 -0.015 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1176 Isoleucine 10.4198 1287.1 2.7 scans 43% 158 m/z 9.0% 0.00458% 412 1.0 29 2670 15249 15249 1-0 2: 158 159 0.906 10.46 -2.3 87 90 72 88 260 0.0 0.000 -0.039 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1174 Proline 10.5061 1292.2 2.8 scans 76% 142 m/z 1.1% 0.0355% 420 1.0 79 20960 0.0416% 118178 103592 138307 3-0 5: 142 143 216 144 66 0.981 10.55 -2.2 97 97 94 96 142 57.9 54.400 -0.039 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5808 1296.5 2.5 scans 94% 147 m/z 0.28% 0.181% 427 1.1 195 85026 0.845% 604159 581684 2809364 2-2 20: 147 73 245 148 75 149 83 133 246 74 143 115 84 126 170 59 72 53 247 66 0.999 10.60 -1.3 100 99 99 99 245 44.7 5.221 -0.021 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1170 Glycine 10.6439 1300.2 2.9 scans 66% TIC 2.4% 0.0142% 433 1.2 68 9818 0.804% 47281 47281 2673052 0-0 0.948 10.69 -2.6 95 97 87 96 276 10.7 2.508 -0.043 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7239 1305.0 3.0 scans 91% TIC 0.089% 0.796% 441 1.4 345 270090 0.982% 2649281 2532381 3264847 2-2 0.965 10.76 -2.1 100 99 98 99 251 78.5 5.173 -0.034 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1168 Glyceric acid 11.0069 1322.1 2.5 scans 94% 73 m/z 0.56% 0.170% 468 1.1 182 42924 565922 532931 1-4 20: 73 147 292 189 133 103 205 293 117 190 102 148 307 294 74 191 75 59 149 101 0.998 11.05 -2.8 100 99 99 99 292 54.6 9.035 -0.047 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0648 1325.6 3.1 scans 70% TIC 9.0% 0.0113% 473 1.0 48 2676 0.161% 37879 37848 535275 0-1 0.982 11.06 0.1 88 87 81 92 285 14.3 8.706 0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1018 Uracil 11.1269 1329.3 2.4 scans 65% 241 m/z 9.6% 0.00753% 479 1.5 40 2526 25065 21802 1-1 5: 241 99 255 256 242 0.934 11.15 -1.3 92 92 92 95 256 13.3 11.332 -0.021 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1162 Fumaric acid 11.3489 1342.7 2.4 scans 94% 245 m/z 0.36% 0.162% 500 1.1 184 67389 540421 509606 2-2 20: 245 147 73 246 75 143 247 83 133 149 148 84 115 74 155 61 157 53 240 59 0.998 11.39 -2.6 100 99 98 99 245 103.8 31.840 -0.044 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4509 1348.8 2.9 scans 30% 57 m/z (84) 1.5% 0.0521% 510 1.1 94 15825 0.0566% 173233 166031 188178 2-0 16: 57 97 145 115 55 127 69 56 129 59 128 146 116 58 98 87 0.928 11.45 0.3 87 88 91 98 145 26.8 8.032 0.005 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4583 1349.3 3.0 scans 76% 84 m/z 0.62% 0.122% 511 1.3 140 38938 408874 393100 1-2 20: 84 133 161 162 119 92 118 65 85 82 51 63 134 130 78 83 64 91 77 54 0.795 10.96 30.3 94 96 94 99 161 33.6 5.761 0.502 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1020 Serine 11.4972 1351.6 >3 scans 85% TIC 1.2% 0.0763% 514 1.6 118 18910 0.368% 253881 234484 1223486 0-2 0.994 11.51 -1.0 98 98 96 98 306 12.7 1.145 -0.016 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1160 Serine 11.4983 1351.7 2.6 scans 82% 204 m/z (84) 1.2% 0.0771% 514 1.0 116 18858 256550 239013 4-1 18: 204 73 218 205 100 147 219 206 278 306 116 220 74 216 148 203 72 279 0.997 11.56 -3.5 95 97 95 97 306 12.6 1.173 -0.059 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN BRA4_R~2-N1008 Thymine 11.5877 1357.1 3.2 scans 62% TIC 7.4% 0.00600% 523 2.7 32 3265 0.277% 19953 14674 920939 0-3 0.955 11.58 0.3 95 97 90 97 270 11.5 13.294 0.004 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1022 Thymine 11.5877 1357.1 2.7 scans 61% 255 m/z 7.8% 0.00534% 523 1.1 31 3093 17761 16307 1-1 3: 255 270 256 1.000 11.60 -0.7 96 97 85 97 270 11.5 13.475 -0.011 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1024 Threonine 11.9097 1376.4 2.7 scans 91% TIC 1.8% 0.0626% 553 0.9 102 12900 0.0811% 208145 182612 269632 6-0 0.993 11.92 -0.7 98 97 94 98 320 8.8 0.757 -0.011 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1154 Threonine 11.9107 1376.5 2.7 scans 90% 73 m/z 1.9% 0.0570% 554 1.0 100 12371 0.0690% 189782 175125 229404 6-1 18: 73 218 219 291 117 101 220 147 100 128 74 57 75 203 202 130 221 320 0.994 11.96 -3.0 97 96 93 97 320 8.7 0.754 -0.049 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1148 Glutamine?? 13.2828 1461.8 2.7 scans 87% 155 m/z 1.1% 0.0562% 684 1.1 102 21278 0.0637% 187152 172521 211783 1-1 13: 155 73 147 156 229 139 59 148 157 100 74 230 149 0.981 13.35 -4.1 94 93 94 97 257 7.5 0.544 -0.064 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1146 Malic acid 13.5416 1478.1 2.8 scans 98% 73 m/z 0.035% 2.78% 709 0.5 693 674603 9255024 9109749 0-1 20: 73 147 233 245 133 189 335 190 148 75 175 191 74 149 55 101 234 265 217 307 0.999 13.62 -4.7 100 99 99 99 350 17.2 0.062 -0.075 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1142 Erythritol/Threitol 13.7079 1488.6 2.8 scans 80% 73 m/z 2.8% 0.0360% 724 1.1 82 8496 1.81% 119895 119738 6017691 1-0 15: 73 217 147 205 103 189 204 117 218 307 148 206 116 293 149 0.985 13.89 -11.5 95 94 93 96 320 6.7 0.664 -0.182 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1140 Aspartic acid 14.0204 1508.7 3.0 scans 61% 73 m/z (156) 0.94% 0.0885% 754 1.2 120 25562 294469 272657 1-2 15: 73 147 75 74 148 133 259 149 70 117 231 221 142 131 86 0.973 14.09 -4.4 87 87 88 93 349 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0257 1509.1 2.9 scans 89% 156 m/z 0.80% 0.0957% 755 1.0 127 30297 318348 310698 1-1 11: 156 157 230 258 158 59 72 140 112 55 121 0.851 14.03 -0.2 95 93 95 98 258 24.5 3.722 -0.004 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0257 1509.1 2.9 scans 45% 156 m/z (73) 0.78% 0.0495% 755 1.0 91 31031 164716 160758 1-1 11: 156 157 230 258 158 59 72 140 112 55 121 0.932 14.11 -5.6 81 83 62 87 273 0.0 0.000 -0.084 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1134 GABA 14.1824 1519.5 2.9 scans 85% TIC 2.1% 0.0379% 769 1.8 80 11146 0.112% 126294 126294 372365 0-0 0.991 14.24 -3.9 96 96 90 96 304 24.5 9.349 -0.060 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3624 1531.4 >5 scans 84% TIC 5.3% 0.0242% 787 1.8 55 4548 0.176% 80680 80680 585146 0-0 0.989 14.62 -17.2 83 83 80 84 409 0.0 0.000 -0.259 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6086 1547.7 2.5 scans 73% TIC 4.9% 0.0140% 810 1.5 53 4937 46611 43268 0-2 0.944 14.69 -5.5 86 87 76 86 409 4.6 0.747 -0.083 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7359 1556.2 2.8 scans 41% 174 m/z (267) 1.3% 0.0436% 822 1.0 90 17923 145266 138385 1-1 9: 174 86 175 176 250 100 118 162 130 0.940 14.16 37.9 89 95 93 99 250 17.7 3.868 0.571 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3798 1598.9 2.6 scans 76% 217 m/z 1.9% 0.0292% 883 1.1 84 12525 0.0470% 97228 97228 156260 0-0 8: 217 73 218 219 129 189 215 284 0.939 15.44 -4.1 89 88 87 91 393 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1118 Phenylalanine 15.5997 1614.1 2.7 scans 67% 218 m/z (267) 7.5% 0.0128% 904 1.2 49 3218 42657 42657 0-0 5: 218 192 204 219 266 0.948 15.66 -4.1 87 89 84 95 294 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1038 Xylose 15.8901 1634.2 5.9 scans 65% 217 m/z 7.8% 0.0145% 932 1.5 48 3096 0.0476% 48275 47599 158255 1-0 5: 217 307 73 103 218 0.981 15.89 0.0 87 85 80 95 307 13.1 7.420 0.000 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1040 Xylose 16.0048 1642.2 2.5 scans 89% TIC 1.5% 0.0603% 943 1.0 110 16005 200500 191086 1-0 0.993 16.00 0.1 97 96 95 97 307 30.8 7.913 0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1042 Ribose 16.1027 1649.0 2.7 scans 90% TIC 1.7% 0.0527% 952 0.9 100 13930 0.197% 175277 170950 654964 1-0 0.993 16.10 0.0 97 96 96 98 307 28.9 8.341 -0.000 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.2258 1657.6 3.2 scans 38% 290 m/z 4.0% 0.0104% 964 1.6 39 6042 34788 33244 1-1 4: 290 291 292 158 0.958 16.28 -3.5 94 94 61 94 392 7.7 3.898 -0.050 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6130 1684.4 2.7 scans 89% TIC 1.6% 0.0759% 1000 1.7 114 14747 0.120% 252349 252349 398963 0-0 0.994 16.68 -4.4 98 98 95 98 497 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9244 1706.4 3.5 scans 68% TIC 6.8% 0.0140% 1030 2.0 63 3547 0.300% 46575 46575 997407 0-0 0.981 16.99 -4.7 91 92 86 92 422 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9960 1711.6 2.7 scans 90% TIC 0.97% 0.117% 1037 1.0 148 24789 0.384% 391886 365375 1276681 0-2 0.997 17.06 -4.9 97 96 95 96 510 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1096 Putrescine 17.1875 1725.6 2.7 scans 67% 174 m/z 1.1% 0.0374% 1055 1.1 84 21483 124566 119853 1-1 11: 174 175 214 86 176 172 200 100 130 146 173 0.993 17.25 -4.4 98 97 96 98 458 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1044 Putrescine 17.1875 1725.6 2.7 scans 76% 174 m/z (73) 1.1% 0.0430% 1055 1.1 90 21430 143000 137589 1-1 11: 174 175 214 86 176 172 200 100 130 146 173 0.987 17.19 -0.0 94 96 93 96 376 7.0 0.616 -0.000 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5663 1753.2 2.7 scans 94% 217 m/z 0.27% 0.249% 1091 1.1 220 88987 0.400% 830178 781314 1329876 4-2 20: 217 73 218 147 219 450 305 74 133 191 129 451 75 257 232 149 148 103 452 169 0.999 17.63 -4.8 96 95 95 97 450 33.2 2.274 -0.066 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6968 1762.8 3.4 scans 86% TIC 0.76% 0.196% 1103 0.6 168 31846 0.332% 654649 616199 1103797 1-0 0.959 17.70 -0.1 98 97 96 98 375 18.6 1.227 -0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1046 Shikimic acid 18.1271 1794.2 2.9 scans 83% TIC 0.66% 0.122% 1144 1.5 144 36690 0.249% 406036 378030 827848 0-2 0.956 18.13 0.2 97 97 94 98 372 17.5 1.479 0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1048 Citric acid 18.2481 1803.1 2.5 scans 50% 273 m/z (370) 4.2% 0.0259% 1156 1.0 72 5771 0.0264% 86192 83818 87772 1-0 11: 273 363 274 375 465 275 364 211 348 376 305 0.945 18.24 0.3 94 97 90 97 465 12.3 2.914 0.004 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1076 Pregnane?? 18.7795 1843.7 2.7 scans 97% 345 m/z 0.075% 1.33% 1206 0.9 494 323457 4449146 4347306 1-1 20: 345 73 346 255 147 347 204 191 334 256 419 435 257 74 133 372 148 239 348 75 0.999 18.86 -6.0 100 99 99 99 537 37.8 0.586 -0.079 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1072 Fructose 18.9815 1859.1 3.8 scans 98% 73 m/z 0.017% 10.1% 1226 0.5 1162 1379571 33829799 33811935 1-0 20: 73 307 217 103 147 308 277 218 133 309 364 205 189 74 117 219 104 148 191 89 1.000 19.03 -3.9 100 98 99 100 364 133.8 1.330 -0.051 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1052 Fructose 19.1014 1868.2 3.7 scans 97% 73 m/z 0.024% 7.19% 1237 0.5 975 976812 23911064 23508287 1-1 20: 73 307 217 103 147 308 218 277 309 364 74 205 133 89 219 262 117 189 104 148 1.000 19.10 -0.2 100 99 100 100 364 113.0 1.346 -0.003 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1054 Galactose 19.2193 1877.2 >4 scans 57% TIC 2.2% 0.0365% 1248 0.6 96 10827 21.3% 121355 121355 70815920 0-0 0.990 19.22 0.2 93 91 92 95 376 0.0 0.000 0.003 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1064 Mannose 19.3308 1885.7 4.7 scans 98% 319 m/z 0.011% 18.7% 1259 0.4 1466 2142383 62223759 62181485 1-0 20: 319 73 205 147 160 320 217 321 103 206 117 229 74 129 157 133 189 148 204 161 0.994 19.45 -9.5 100 99 99 100 319 585.5 16.013 -0.124 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1059 Glucose 19.5507 1902.6 2.7 scans 98% 319 m/z 0.033% 3.96% 1280 0.6 832 732858 13166593 13152853 1-0 20: 319 73 205 147 320 160 217 103 321 206 133 117 74 129 148 229 89 157 204 189 0.999 19.55 -0.1 100 99 99 100 376 34.7 0.175 -0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1056 Ascorbic acid 19.9022 1930.9 2.8 scans 86% TIC 1.1% 0.0822% 1313 0.7 125 20612 0.205% 273415 267792 681562 0-2 0.984 19.99 -6.8 97 97 93 97 449 12.9 1.061 -0.084 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2925 1962.3 3.4 scans 68% TIC 1.8% 0.0570% 1350 1.1 94 13117 189541 180932 1-1 0.779 20.30 -0.2 86 90 84 87 433 9.0 0.928 -0.003 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6751 2076.7 3.0 scans 98% 305 m/z 0.020% 8.75% 1482 0.5 1205 1167730 29092036 27942873 1-1 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 367 320 129 133 291 148 1.000 21.75 -6.2 100 100 100 100 507 100.7 0.701 -0.074 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8603 2092.3 3.2 scans 97% 319 m/z 0.14% 1.07% 1499 1.2 404 169766 3568020 3465902 1-1 20: 319 73 205 147 320 217 103 321 206 117 74 204 229 157 148 89 129 291 218 191 1.000 21.93 -5.8 97 94 97 99 656 9.6 0.057 -0.070 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1907 2120.8 2.9 scans 95% 73 m/z 0.42% 0.305% 1531 1.1 235 56677 0.453% 1015701 1015701 1506085 0-0 20: 73 75 74 133 72 117 192 233 89 59 291 250 189 267 163 292 203 263 173 193 0.962 22.19 0.3 97 95 91 100 396 95.2 16.389 0.005 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1032 trans-Caffeic acid 22.1960 2121.3 2.8 scans 48% 319 m/z 0.46% 0.138% 1531 1.2 169 52575 0.341% 459369 459369 1133720 0-0 18: 319 205 147 320 103 217 321 206 148 218 129 229 262 157 277 172 230 306 0.513 22.25 -4.7 85 91 58 87 396 89.5 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6716 2162.8 3.3 scans 92% 204 m/z 0.96% 0.0919% 1576 1.3 121 25244 0.131% 305666 293697 435535 1-0 20: 204 73 205 217 147 361 206 145 117 191 250 131 129 305 74 75 218 133 103 148 0.995 22.71 -3.7 97 96 97 98 518 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6581 2344.4 3.5 scans 84% 73 m/z 4.7% 0.0238% 1765 1.4 62 5078 0.0320% 79421 78832 106390 0-1 13: 73 191 307 262 331 421 332 319 205 147 103 217 305 0.918 24.65 0.8 87 88 81 88 466 0.0 0.000 0.008 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5342 2529.0 2.8 scans 56% 512 m/z 3.0% 0.0464% 1943 1.0 92 8061 154586 154586 0-1 16: 512 455 513 456 247 514 483 57 263 457 497 349 248 423 515 249 0.929 26.57 -4.1 95 95 81 95 512 35.9 15.191 -0.039 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN WTF2-N1032 Sucrose 26.6531 2541.3 2.9 scans 83% 361 m/z 10% 0.0140% 1955 0.7 50 2331 0.0846% 46673 46673 281269 0-0 7: 361 217 437 73 273 362 438 0.995 26.87 -22.4 83 84 78 85 451 5.7 1.309 -0.217 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1010 Sucrose 27.4096 2620.1 7.4 scans 98% 451 m/z 0.0076% 30.4% 2027 1.0 1499 3173628 101081653 100691680 1-0 14: 451 439 453 359 440 454 333 322 261 343 240 367 406 355 0.997 27.58 -18.1 100 99 98 99 437 297.6 3.969 -0.169 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1020 Sucrose 27.4127 2620.5 7.4 scans 10% 437 m/z (361) 0.043% 3.13% 2027 0.8 481 553835 10411961 10390016 1-0 14: 437 364 359 440 317 118 334 265 465 343 375 323 378 406 0.661 27.46 -5.1 94 96 93 99 437 297.7 38.468 -0.048 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1014 Sucrose 27.4254 2621.8 >6 scans 92% 218 m/z 0.0076% 24.1% 2028 0.3 1458 3173628 28.8% 80348731 78489079 95751103 1-0 20: 218 272 320 143 149 259 231 305 291 221 258 145 177 247 348 277 228 366 463 295 1.000 27.49 -6.9 100 100 99 100 437 296.4 4.169 -0.065 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1016 Sucrose 27.4338 2622.7 7.2 scans 53% 345 m/z (361) 0.015% 16.5% 2029 0.2 1110 1527961 55115173 54790129 1-0 20: 345 333 81 246 161 322 76 334 58 377 335 182 308 367 379 468 68 165 380 350 0.981 27.48 -4.6 89 89 95 94 437 16.9 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1008 Sucrose 27.4380 2623.2 7.1 scans 100% 73 m/z 0.0076% 29.6% 2029 0.2 1537 3173628 98570860 96698309 1-1 20: 73 74 75 171 69 59 81 303 55 109 141 346 161 87 54 158 260 76 67 185 0.999 27.59 -16.3 100 99 98 99 437 291.5 3.622 -0.153 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1018 Sucrose 27.4412 2623.5 7.2 scans 63% 361 m/z (73) 0.0077% 5.72% 2030 2.1 1206 3112540 19.4% 19037286 19037286 64499007 0-0 20: 361 217 147 271 103 169 129 243 218 319 191 219 331 189 230 272 204 205 133 148 0.961 27.47 -3.0 95 96 74 96 437 285.6 5.663 -0.029 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN LQC1-N1006 Trehalose 28.3313 2719.5 4.2 scans 88% 361 m/z 4.7% 0.0389% 2114 1.2 68 5106 129349 123620 2-1 15: 361 73 204 362 363 147 217 319 205 103 129 117 480 169 206 0.989 28.47 -15.4 80 77 66 89 565 0.0 0.000 -0.137 G:\GCMS data\Nicotiana Panel polar\BRA4_REP1.FIN GUA35_L1-N1020 Galactinol 30.6598 2986.0 3.6 scans 89% 204 m/z 3.3% 0.0260% 2336 1.3 61 7250 86671 82980 1-5 13: 204 73 205 217 191 147 129 206 361 433 230 218 103 0.987 30.55 13.6 81 80 83 81 641 0.0 0.000 0.115 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN EXBLK5S-N1006 Contamination 6.5899 1061.2 2.6 scans 71% 207 m/z 1.1% 0.0361% 48 1.6 103 23539 0.0997% 214168 171194 589993 8-5 15: 207 73 295 208 209 296 191 279 297 74 193 192 189 177 247 0.985 6.63 -2.1 97 96 91 97 295 32.5 9.837 -0.035 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1194 Alanine 7.3759 1107.8 5.7 scans 73% 116 m/z 1.9% 0.0334% 123 0.4 72 13607 0.0653% 197661 190753 386425 1-0 5: 116 73 147 190 100 0.963 7.40 -1.7 94 94 90 94 283 0.0 0.000 -0.028 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN A-KETO~2-N1006 Contamination?? 7.8715 1137.2 2.7 scans 66% 156 m/z 4.7% 0.0113% 170 1.1 53 5508 0.0137% 67430 49208 81072 19-3 5: 156 75 55 157 54 0.975 7.96 -5.0 96 97 92 97 156 29.1 30.604 -0.085 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1192 Contamination 7.9546 1142.1 2.6 scans 81% 147 m/z 3.6% 0.0171% 178 0.9 77 7220 0.0244% 101481 100968 144391 1-0 16: 147 73 133 220 152 235 146 59 148 100 103 72 89 160 74 167 0.998 7.99 -2.1 97 96 94 96 235 15.6 4.128 -0.034 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN WTF2-N1026 Cadaverine NC 8.1819 1155.6 3.0 scans 88% 174 m/z 0.79% 0.0639% 199 1.4 124 32841 0.0871% 378657 309508 515430 2-11 20: 174 73 216 175 142 86 59 160 100 176 130 143 217 131 74 161 218 158 172 101 0.996 7.74 26.4 95 94 92 99 216 28.6 5.312 0.446 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1188 Contamination 8.3724 1166.9 3.5 scans 72% 281 m/z 1.9% 0.0334% 217 1.3 84 13437 198079 153708 10-13 16: 281 369 147 282 283 265 370 371 249 148 251 266 207 191 267 149 0.989 8.41 -2.5 99 98 96 99 369 26.7 10.165 -0.043 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1190 Contamination 8.4197 1169.7 2.8 scans 73% 73 m/z 3.1% 0.0157% 222 1.2 70 8251 0.0263% 93264 92416 155635 0-3 10: 73 211 140 198 77 186 70 69 126 74 0.979 8.48 -3.8 91 91 88 93 309 6.9 0.956 -0.064 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1186 Phosphate 8.5176 1175.5 2.3 scans 61% 241 m/z 3.2% 0.00809% 231 1.1 56 8164 47913 47609 0-2 9: 241 242 163 211 133 256 195 135 243 0.885 8.56 -2.5 91 89 77 95 299 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1184 Valine 9.1478 1212.7 2.9 scans 82% 144 m/z (156) 1.7% 0.0205% 291 1.0 76 14852 0.0240% 121768 107377 142024 7-2 8: 144 73 218 145 219 146 100 74 0.978 9.19 -2.3 96 97 94 98 218 22.6 8.888 -0.040 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1180 Benzoic acid 9.7171 1246.0 3.0 scans 75% 179 m/z 3.8% 0.0130% 345 1.4 61 6728 0.0138% 77208 74978 81664 5-0 7: 179 105 135 77 180 194 106 0.985 9.76 -2.5 96 95 90 98 194 8.9 2.147 -0.042 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1178 Ethanolamine 9.9885 1261.9 3.1 scans 92% TIC 0.59% 0.0702% 371 1.1 134 44233 1.16% 415755 365397 6864509 4-0 0.997 10.03 -2.6 100 99 98 99 262 14.5 1.167 -0.045 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN VEN77_S6-N1002 Glycerol 10.0611 1266.1 2.6 scans 93% TIC 0.033% 1.02% 378 1.1 559 772553 1.07% 6056823 5866731 6331918 0-3 0.987 10.09 -1.9 100 100 99 100 299 344.7 38.259 -0.033 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LACTIC~1-N1034 Glycerol 10.0843 1267.5 3.2 scans 53% 205 m/z (299) 0.65% 0.126% 380 0.8 178 39925 0.139% 750221 679053 822558 2-3 10: 205 117 218 206 204 175 129 219 217 293 0.966 10.11 -1.5 94 96 93 98 293 11.8 0.441 -0.026 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2232 1275.6 2.5 scans 91% 73 m/z 0.65% 0.0544% 393 1.4 136 40031 321973 303035 1-2 19: 73 198 77 211 199 70 74 239 289 72 200 212 170 143 115 142 92 63 382 0.994 10.24 -1.0 99 99 97 99 381 14.7 1.168 -0.017 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1176 Isoleucine 10.4157 1286.9 >3 scans 75% TIC 2.6% 0.0114% 411 1.4 61 9800 0.644% 67769 61802 3810986 4-0 0.956 10.46 -2.5 96 96 89 96 260 4.2 0.474 -0.043 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1012 Proline 10.5052 1292.1 2.6 scans 96% 142 m/z 0.045% 0.571% 420 0.9 433 575325 0.712% 3379942 3159592 4213388 3-1 20: 142 73 143 216 147 144 75 74 59 72 141 66 101 80 217 100 133 148 68 170 0.996 10.53 -1.7 99 98 98 100 216 80.8 3.491 -0.028 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5778 1296.4 2.7 scans 94% TIC 0.17% 0.176% 427 0.9 249 145903 2.13% 1043134 1043134 12604659 0-0 0.997 10.60 -1.4 100 98 98 99 245 58.0 5.411 -0.024 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1170 Glycine 10.6388 1299.9 3.1 scans 65% TIC 2.4% 0.00968% 433 0.9 68 10691 1.50% 57296 57296 8876520 0-0 0.955 10.69 -2.9 95 95 85 95 276 11.6 2.933 -0.048 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7282 1305.3 3.0 scans 97% 147 m/z 0.030% 1.33% 441 0.9 605 852680 7878387 7599429 1-1 20: 147 73 76 251 148 149 58 132 74 252 133 177 75 176 150 118 59 253 72 62 0.992 10.76 -1.8 98 97 96 100 251 141.4 5.481 -0.030 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1168 Glyceric acid 11.0071 1322.1 2.6 scans 97% 73 m/z 0.14% 0.428% 468 1.0 376 182762 2537155 2432224 1-2 20: 73 147 292 189 133 103 205 293 117 307 102 190 148 75 74 294 59 101 149 191 0.999 11.05 -2.8 100 100 99 100 292 113.8 9.155 -0.047 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0607 1325.3 >3 scans 68% TIC 7.6% 0.00936% 473 0.9 53 3426 0.331% 55422 55422 1958752 0-0 0.979 11.06 -0.2 92 92 75 92 285 18.3 11.778 -0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1018 Uracil 11.1239 1329.1 2.7 scans 65% 241 m/z 9.1% 0.00565% 479 1.6 42 2868 33452 32725 0-1 6: 241 255 256 99 242 113 0.913 11.15 -1.5 95 94 92 99 256 14.7 12.509 -0.024 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1162 Fumaric acid 11.3480 1342.6 2.4 scans 95% 245 m/z 0.23% 0.151% 500 1.2 234 112259 895913 850049 2-2 20: 245 147 73 246 75 143 247 83 148 133 115 149 155 74 53 84 157 61 248 59 0.999 11.39 -2.7 100 99 99 100 245 131.4 31.654 -0.045 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4458 1348.5 2.9 scans 31% 57 m/z (84) 1.4% 0.0343% 509 1.3 98 17955 0.0358% 203548 197374 211853 1-0 11: 57 97 145 115 127 69 56 129 111 109 71 0.916 11.45 0.0 86 85 91 98 145 26.4 7.191 -0.000 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4543 1349.0 2.9 scans 78% 84 m/z 0.37% 0.117% 510 1.4 186 69239 696788 645817 1-2 19: 84 133 162 161 119 92 82 51 65 85 118 78 130 63 134 91 64 120 77 0.884 10.96 30.0 92 93 93 97 161 44.4 5.712 0.498 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1020 Serine 11.4953 1351.5 3.1 scans 90% TIC 0.51% 0.115% 514 1.1 187 50884 0.377% 683490 655447 2230965 0-1 0.999 11.51 -1.1 99 98 98 99 306 19.4 1.078 -0.018 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN BRA4_R~2-N1008 Thymine 11.5837 1356.8 2.9 scans 68% 255 m/z 6.8% 0.00445% 522 1.5 35 3827 26353 26353 1-0 3: 255 270 256 0.967 11.58 0.0 99 100 100 100 270 12.4 12.285 -0.000 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1154 Threonine 11.9067 1376.3 2.4 scans 93% 73 m/z (232) 0.72% 0.0845% 553 1.2 169 36245 0.0854% 500205 476092 505370 3-1 20: 73 218 219 117 291 292 147 101 220 203 293 57 100 221 74 128 75 132 130 320 0.999 11.96 -3.2 97 97 96 99 320 15.4 0.823 -0.053 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1024 Threonine 11.9067 1376.3 2.4 scans 93% 73 m/z 0.71% 0.0827% 553 1.2 170 36446 0.0836% 489472 465876 494718 3-1 20: 73 218 219 117 291 292 147 101 220 203 293 57 100 221 74 128 75 132 130 320 0.994 11.92 -0.8 100 99 98 99 320 15.4 0.822 -0.014 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1148 Glutamine?? 13.2851 1462.0 2.8 scans 89% 155 m/z 0.53% 0.0739% 684 1.0 153 48945 0.0838% 437322 413120 495902 2-1 19: 155 73 147 156 229 139 59 75 157 74 100 84 257 230 72 61 56 103 55 0.972 13.35 -3.9 97 95 96 98 257 12.4 0.658 -0.062 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1146 Malic acid 13.5450 1478.3 2.5 scans 95% 73 m/z 0.026% 2.06% 709 0.6 826 975799 12221227 10819839 1-1 20: 73 147 233 245 133 189 190 148 75 335 175 191 74 149 55 101 234 265 307 217 0.999 13.62 -4.5 100 99 99 99 350 22.5 0.075 -0.072 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1142 Erythritol/Threitol 13.7070 1488.5 2.7 scans 74% 73 m/z 3.2% 0.0164% 724 1.3 77 8161 1.43% 97282 96345 8462283 1-0 13: 73 217 147 103 307 189 218 117 191 133 206 74 293 0.960 13.89 -11.6 90 89 89 94 320 6.1 0.627 -0.183 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1144 Contamination Parabanica acid 13.7428 1490.8 2.9 scans 39% 243 m/z (73) 19% 0.00295% 727 0.7 29 1353 17486 17342 2-0 4: 243 115 100 128 0.888 13.81 -4.0 81 87 64 87 243 14.2 24.467 -0.063 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1028 Aspartic acid 14.0163 1508.4 2.5 scans 28% 232 m/z (73) 0.39% 0.0740% 754 1.0 156 65937 438451 424455 1-1 20: 232 233 218 100 234 202 188 117 216 306 219 101 292 204 334 130 174 349 132 203 0.927 14.02 -0.1 93 94 91 99 258 6.4 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1140 Aspartic acid 14.0227 1508.9 3.3 scans 67% 73 m/z (156) 0.26% 0.219% 754 1.1 238 97668 1301092 1237027 1-1 20: 73 147 75 74 133 59 72 148 149 131 70 115 61 71 99 98 60 113 87 150 0.976 14.09 -4.2 96 98 97 98 349 11.7 0.240 -0.064 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0227 1508.9 3.3 scans 75% 73 m/z (232) 0.19% 0.248% 754 1.1 253 134067 1472076 1399591 1-1 20: 73 147 75 74 133 59 72 148 149 131 70 115 61 71 99 98 60 113 87 150 0.978 14.03 -0.4 97 98 97 99 258 47.5 3.531 -0.007 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0290 1509.3 2.9 scans 71% 156 m/z (232) 0.19% 0.181% 755 0.9 233 134067 1076043 1040234 1-1 20: 156 157 230 258 158 259 231 140 58 112 86 121 55 260 214 85 141 154 67 84 0.982 14.11 -5.4 97 98 97 99 273 10.8 0.214 -0.081 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN BRA4_R~2-N1002 4-Hydroxy Proline 14.1121 1514.8 2.9 scans 31% 230 m/z 17% 0.00145% 763 1.2 21 1533 8628 8628 0-0 1: 230 0.797 14.11 -0.0 97 100 100 100 230 15.4 52.091 0.000 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1032 GABA 14.1826 1519.5 2.8 scans 90% TIC 1.0% 0.0575% 769 2.0 126 25360 0.106% 340786 340546 627274 1-0 0.995 14.19 -0.3 99 98 96 98 304 38.9 9.553 -0.005 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3615 1531.3 3.9 scans 85% TIC 3.2% 0.0198% 786 1.5 71 7928 0.244% 117559 116770 1443914 0-1 0.992 14.69 -21.9 91 91 87 91 409 3.6 0.253 -0.331 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6087 1547.7 2.6 scans 95% 73 m/z 0.43% 0.127% 810 1.1 210 60454 753516 737093 0-1 20: 73 292 147 220 205 293 217 117 103 294 221 74 319 133 291 148 75 149 206 102 0.999 14.62 -0.9 99 98 97 98 409 16.3 0.603 -0.012 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7360 1556.2 2.8 scans 67% 174 m/z 0.70% 0.0586% 822 1.1 136 37341 347022 328524 1-1 19: 174 86 175 176 250 100 59 251 130 65 117 131 118 87 116 158 252 60 160 0.953 14.16 37.9 90 93 89 99 250 25.4 3.486 0.571 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1126 Pyrazine 15.0706 1578.4 2.8 scans 75% TIC 5.9% 0.0102% 854 1.3 58 4415 60411 60194 1-0 0.931 15.13 -4.0 80 75 66 93 344 16.3 7.885 -0.061 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3810 1598.9 2.8 scans 71% 217 m/z 1.9% 0.0169% 883 1.1 83 13284 0.0346% 100162 100162 204752 0-0 7: 217 73 218 219 133 129 74 0.940 15.44 -4.1 90 89 87 91 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1036 Glutamic acic 15.5020 1607.3 2.6 scans 79% TIC 3.4% 0.0102% 895 0.8 61 7558 0.0456% 60456 60456 269846 0-0 0.977 15.50 -0.1 97 96 93 99 363 6.8 1.251 -0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1118 Phenylalanine 15.6010 1614.2 2.7 scans 62% 218 m/z 3.2% 0.0148% 904 1.3 69 8039 88056 87385 0-1 6: 218 192 219 266 100 220 0.966 15.66 -4.0 91 90 84 93 294 5.2 0.570 -0.058 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1038 Xylose 15.8914 1634.3 6.0 scans 76% TIC 3.4% 0.0153% 932 1.3 68 7610 0.0729% 91036 91036 431399 0-0 0.978 15.89 0.1 91 89 87 95 307 18.9 7.747 0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1040 Xylose 16.0071 1642.4 2.6 scans 91% 73 m/z 0.81% 0.0687% 943 1.1 154 32150 406876 389627 1-0 20: 73 103 217 307 147 308 189 160 277 218 133 309 74 205 104 89 105 75 148 234 0.994 16.00 0.3 98 96 97 99 307 44.0 8.183 0.003 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1042 Ribose 16.1039 1649.1 2.8 scans 82% 73 m/z 1.6% 0.0366% 952 1.1 106 16208 0.139% 216710 205824 822558 2-1 20: 73 103 307 217 308 147 189 160 277 218 89 133 309 104 205 105 233 74 75 117 0.987 16.10 0.1 97 95 95 98 307 31.8 8.927 0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.2270 1657.6 2.9 scans 16% 290 m/z (156) 3.6% 0.00626% 964 1.8 41 7146 37091 37091 0-0 4: 290 291 392 292 0.796 16.28 -3.5 85 91 56 94 392 8.0 3.871 -0.049 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6153 1684.6 2.7 scans 88% TIC 1.6% 0.0469% 1001 1.6 119 16008 0.0693% 277798 264118 410095 1-0 0.995 16.68 -4.2 99 98 96 98 497 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9257 1706.5 2.9 scans 69% 217 m/z (117) 4.4% 0.0153% 1030 1.3 69 5856 0.117% 90745 90745 692369 0-0 9: 217 103 307 205 319 218 204 308 129 0.977 16.99 -4.6 87 89 84 90 422 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9993 1711.8 4.0 scans 77% TIC 1.1% 0.0622% 1037 1.7 128 21836 0.336% 368342 368342 1988341 0-0 0.924 17.06 -4.7 96 96 89 96 510 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1096 Putrescine 17.1898 1725.7 2.7 scans 72% 174 m/z 0.59% 0.0447% 1055 1.1 119 43647 264610 256981 1-1 19: 174 175 214 176 86 172 200 59 361 100 130 146 376 173 114 99 362 116 132 0.992 17.25 -4.3 98 96 95 99 458 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1044 Putrescine 17.1898 1725.7 2.7 scans 82% 174 m/z (73) 0.59% 0.0519% 1055 1.1 127 43657 307314 298454 1-1 19: 174 175 214 176 86 172 200 59 361 100 130 146 376 173 114 99 362 116 132 0.997 17.19 0.1 97 98 97 99 376 10.9 0.730 0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3792 1739.6 2.6 scans 48% 292 m/z 5.7% 0.00888% 1073 1.1 55 4587 0.0128% 52549 52520 75746 0-1 5: 292 333 293 307 334 0.904 17.44 -4.7 90 91 85 91 511 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5675 1753.3 2.7 scans 92% 217 m/z 0.20% 0.198% 1091 1.3 253 128703 0.407% 1173832 1108075 2408496 4-1 19: 217 73 218 147 219 74 75 129 230 189 215 191 103 244 149 148 231 220 232 0.997 17.63 -4.7 97 95 96 97 450 31.5 1.549 -0.064 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7022 1763.2 2.8 scans 54% 334 m/z (319) 1.3% 0.0740% 1104 1.1 144 19193 0.0806% 438300 389498 476965 2-11 14: 334 204 256 129 335 375 255 336 167 285 166 211 151 376 0.981 17.70 0.3 91 93 88 93 375 19.7 1.875 0.003 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1046 Shikimic acid 18.1325 1794.6 3.3 scans 73% 73 m/z 0.72% 0.0549% 1145 1.2 140 35878 0.140% 325290 325290 828475 0-0 20: 73 147 205 206 357 255 372 462 358 359 74 133 75 148 149 447 282 239 267 256 0.925 18.13 0.6 96 96 90 97 372 16.0 1.319 0.008 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1048 Citric acid 18.2546 1803.6 >4 scans 75% TIC 2.2% 0.0303% 1156 0.0 100 11434 0.190% 179307 179307 1124359 0-0 1.000 18.24 0.8 97 97 94 98 465 14.8 2.187 0.011 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1076 Pregnane?? 18.8112 1846.1 3.6 scans 97% TIC 0.011% 6.74% 1209 0.4 1263 2353381 39905718 38933972 1-1 1.000 18.86 -3.6 100 100 100 100 537 99.1 0.619 -0.047 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1074 Adenine 18.8828 1851.5 3.4 scans 21% 264 m/z 8.9% 0.00299% 1216 1.7 28 2931 0.0933% 17701 17701 552120 0-0 3: 264 279 265 0.927 18.94 -4.4 89 92 74 92 415 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1072 Fructose 19.0017 1860.6 5.6 scans 97% TIC 0.015% 10.0% 1227 0.5 1287 1694681 59570752 58519374 1-0 0.999 19.03 -2.4 100 98 99 100 364 150.3 1.368 -0.031 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1052 Fructose 19.1258 1870.1 5.0 scans 97% 73 m/z 0.020% 6.99% 1239 0.4 1109 1264956 17.2% 41415633 40798723 101784100 1-1 20: 73 307 217 103 147 308 218 309 364 205 74 133 117 262 219 189 104 148 75 263 1.000 19.10 1.7 100 99 100 100 364 131.1 1.400 0.022 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1064 Mannose 19.3563 1887.7 6.7 scans 100% 365 m/z 0.011% 16.1% 1261 0.3 1514 2355603 95408488 95406674 1-0 20: 365 308 293 256 466 358 178 465 330 236 332 391 348 342 420 523 280 407 314 315 0.999 19.45 -7.5 100 99 99 100 319 601.9 15.878 -0.099 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN BRA4_R~2-N1004 Galactose 19.3615 1888.1 6.1 scans 87% 73 m/z (365) 0.011% 14.2% 1262 0.2 1476 2315606 84148602 80860561 1-1 20: 73 319 205 147 160 217 320 103 321 206 117 229 129 157 133 189 74 148 204 75 0.995 19.36 -0.0 99 100 100 100 364 49.7 0.000 0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1059 Glucose 19.5709 1904.3 3.1 scans 97% TIC 0.025% 3.74% 1282 0.5 1001 1039361 22159039 20990654 1-1 0.999 19.55 1.6 100 99 99 99 376 42.4 0.180 0.019 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1060 Lysine 19.6214 1908.3 3.0 scans 22% 174 m/z 11% 0.00497% 1286 1.1 37 2350 0.0255% 29452 29452 150901 0-0 5: 174 317 156 128 318 0.934 19.69 -5.8 82 85 73 84 479 0.0 0.000 -0.072 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7256 1916.7 2.8 scans 84% TIC 0.96% 0.0564% 1296 1.6 138 27192 0.168% 333774 320844 994170 1-0 0.990 19.79 -5.2 82 81 85 81 434 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN BRA4_R~2-N1010 Tyrosine 19.8182 1924.1 2.8 scans 44% 218 m/z (293) 3.7% 0.0122% 1305 1.0 58 6988 0.0130% 72535 61033 76930 9-0 3: 218 280 220 0.911 19.82 0.0 98 100 100 100 382 6.7 1.350 0.000 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1056 Ascorbic acid 19.9118 1931.7 3.1 scans 81% TIC 1.2% 0.0530% 1314 0.6 125 21607 0.166% 313681 313681 982335 0-0 0.968 19.99 -6.0 96 96 92 96 449 12.3 0.964 -0.074 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2906 1962.1 2.7 scans 82% 204 m/z 1.3% 0.0392% 1350 1.2 114 18942 232528 229989 0-1 13: 204 191 147 217 205 192 206 218 148 189 149 193 435 0.964 20.41 -9.9 88 87 88 90 217 28.8 6.333 -0.123 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1052 Gluconic acid 2 20.4989 1978.9 >3 scans 67% TIC 3.6% 0.0180% 1370 2.8 78 7143 0.0656% 106915 106915 388200 0-0 0.982 20.60 -7.8 83 82 81 85 613 0.0 0.000 -0.098 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN WTF2-N1038 C16:0 21.1450 2032.2 2.8 scans 84% 313 m/z 3.1% 0.0270% 1431 1.4 90 8357 159836 147467 1-8 15: 313 117 73 132 129 75 314 145 55 57 118 131 328 69 74 0.944 20.62 43.9 82 86 87 94 328 9.8 1.203 0.528 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN INOSIT~1-N1022 myo-Inositol 21.7016 2079.0 6.0 scans 7.9% 507 m/z (305) 0.11% 1.24% 1484 0.6 433 223144 7377726 7168301 1-1 20: 507 508 435 436 522 269 511 310 422 409 98 382 377 328 236 234 78 423 390 140 0.412 21.74 -3.3 80 93 59 93 507 118.1 7.444 -0.039 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1042 myo-Inositol 21.7090 2079.6 5.3 scans 81% 305 m/z (507) 0.014% 12.0% 1485 0.3 1451 1840598 71049113 71000351 1-0 20: 305 73 217 318 147 191 306 319 265 204 218 432 307 433 320 129 133 367 291 192 0.980 21.77 -5.5 96 98 98 98 318 337.3 5.417 -0.065 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.7090 2079.6 5.3 scans 97% 305 m/z 0.012% 14.3% 1485 0.3 1589 2129834 85042612 84984246 1-0 20: 305 73 217 318 147 191 306 319 265 204 218 432 307 433 320 129 133 367 291 192 0.995 21.75 -3.3 100 100 99 100 507 118.1 0.554 -0.040 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8657 2092.8 3.0 scans 96% 319 m/z 0.15% 0.581% 1500 1.1 395 168208 3442152 3225737 2-2 20: 319 73 205 147 320 217 321 262 206 117 204 74 229 157 148 89 129 376 218 263 1.000 21.93 -5.3 96 93 96 99 656 9.4 0.056 -0.064 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1940 2121.1 2.6 scans 94% 396 m/z 0.32% 0.227% 1531 1.0 285 80440 0.281% 1343473 1304456 1662868 1-0 20: 396 73 219 397 319 381 398 191 220 205 307 147 382 320 103 293 75 249 74 217 0.998 22.19 0.6 93 89 87 100 396 111.2 15.256 0.008 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6717 2162.9 3.4 scans 88% 204 m/z 1.1% 0.0473% 1576 1.1 112 23425 0.0788% 280212 260073 466313 1-0 20: 204 73 205 217 147 249 145 361 206 218 131 117 191 129 74 103 305 362 133 148 0.991 22.71 -3.6 97 96 97 99 518 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN WTF2-N1036 C18:0 23.3977 2227.5 3.1 scans 84% 341 m/z 4.7% 0.0179% 1645 1.9 69 5526 0.0243% 106094 104556 143800 0-1 13: 341 117 73 132 75 129 145 342 55 69 356 343 57 0.990 22.89 45.7 86 92 86 92 356 9.8 2.013 0.509 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN BRA4_R~2-N1006 Spermidine 23.5093 2237.7 2.7 scans 83% 144 m/z 4.7% 0.0191% 1656 0.9 80 5519 113055 113055 1-0 18: 144 174 116 156 160 86 172 170 157 175 145 142 214 130 146 59 128 201 0.988 23.51 -0.0 100 100 100 100 490 7.1 0.786 0.000 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1248 2293.9 2.8 scans 80% 204 m/z 3.4% 0.0144% 1714 1.3 64 7635 0.0214% 85417 77540 126638 0-2 8: 204 337 205 217 103 206 129 338 0.978 24.01 10.4 87 87 87 90 490 0.0 0.000 0.115 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6572 2344.3 6.1 scans 76% 73 m/z 5.2% 0.0191% 1765 0.7 61 5010 0.0301% 113190 112720 178122 0-1 12: 73 331 307 147 191 421 262 217 103 205 319 332 0.870 24.65 0.7 86 88 81 87 466 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7509 2353.2 2.8 scans 79% 73 m/z 5.8% 0.0115% 1774 1.3 60 4477 0.0158% 68068 59850 93499 0-6 9: 73 204 217 292 147 375 305 219 103 0.984 24.81 -5.2 81 81 77 81 451 7.5 1.595 -0.054 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5343 2529.1 2.8 scans 66% 512 m/z 2.7% 0.0338% 1943 1.1 101 9679 200203 200203 0-0 16: 512 455 513 247 456 483 57 349 484 263 409 248 203 423 179 383 0.929 26.57 -4.0 96 96 85 96 512 38.6 14.530 -0.039 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN WTF2-N1032 Sucrose 26.6543 2541.5 2.9 scans 79% 361 m/z 11% 0.00721% 1955 1.3 47 2326 0.00781% 42688 41163 46217 1-2 7: 361 73 273 437 217 362 438 0.981 26.87 -22.2 83 85 78 84 451 6.0 1.612 -0.216 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9047 2567.3 3.4 scans 76% TIC 5.9% 0.00974% 1979 1.3 50 4414 0.0258% 57645 57645 152676 0-0 0.984 26.39 52.7 82 91 77 91 459 7.9 2.469 0.511 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1020 Sucrose 27.4119 2620.4 10.4 scans 9.1% 437 m/z (361 73) 0.053% 2.00% 2027 1.3 452 491991 2.21% 11872295 11627280 13078073 1-0 15: 437 451 438 439 452 71 450 345 365 441 265 295 467 358 375 0.570 27.46 -5.2 91 95 90 98 437 275.1 37.004 -0.049 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1014 Sucrose 27.4171 2620.9 10.3 scans 87% 361 m/z 0.0081% 18.8% 2027 1.1 1392 3218109 20.8% 111818196 109791141 123087748 1-0 20: 361 362 363 364 257 273 231 333 306 435 228 241 58 463 114 380 348 248 350 285 1.000 27.49 -7.8 100 100 99 100 437 293.5 4.482 -0.073 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1016 Sucrose 27.4550 2625.0 >3 scans 56% 243 m/z (361) 0.014% 5.02% 2031 2.3 1105 1808583 13.4% 29749853 29749853 79296915 0-0 20: 243 273 345 175 334 304 346 292 234 274 207 223 294 335 263 377 278 308 357 152 0.935 27.48 -2.3 89 91 94 94 437 16.3 0.000 -0.022 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1018 Sucrose 27.4550 2625.0 >3 scans 55% 243 m/z (73) 0.0087% 4.92% 2031 2.3 1094 2997426 13.1% 29161789 29161789 77521611 0-0 20: 243 273 345 175 334 304 346 292 234 274 207 223 294 335 263 377 278 308 357 152 0.915 27.47 -1.5 93 95 65 94 437 270.5 6.157 -0.015 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1010 Sucrose 27.4634 2625.9 9.6 scans 100% 73 m/z 0.0088% 21.4% 2032 0.2 1482 2957978 127158031 126870476 1-0 20: 73 217 147 103 271 129 169 74 75 191 117 133 189 148 230 204 131 149 229 157 0.999 27.58 -12.3 100 99 99 99 437 284.9 3.718 -0.116 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN LQC1-N1006 Trehalose 28.3788 2724.8 >3 scans 57% 361 m/z 11% 0.00437% 2119 1.4 36 2241 0.0429% 25865 24851 253868 0-2 3: 361 362 191 0.975 28.47 -10.1 88 89 71 90 565 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel polar\BRA4_REP2.FIN GUA35_L1-N1020 Galactinol 30.6242 2981.7 2.9 scans 93% 204 m/z 1.1% 0.0398% 2332 1.1 109 22349 235581 216828 1-4 20: 204 73 217 191 205 147 129 361 218 230 433 293 192 103 74 362 319 221 318 434 0.995 30.55 9.3 82 81 91 82 641 0.0 0.000 0.079 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN EXBLK5S-N1006 Contamination 6.3425 1046.6 3.3 scans 62% 207 m/z 1.0% 0.0889% 24 2.4 108 24527 383332 263070 11-3 15: 207 73 295 208 209 191 296 297 189 279 74 133 192 119 177 0.933 6.63 -16.7 98 98 92 98 295 33.9 9.834 -0.282 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.7992 1073.6 9.9 scans 30% 117 m/z (131) 8.2% 0.0175% 68 0.2 37 3012 0.0263% 75700 75700 113303 0-0 1: 117 0.896 6.82 -1.3 91 96 88 97 295 2.7 0.000 -0.022 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1194 Alanine 7.4200 1110.4 8.5 scans 66% TIC 2.2% 0.0451% 127 0.4 68 10854 0.139% 194344 192611 598828 4-0 0.965 7.40 0.9 93 92 89 93 283 0.0 0.000 0.016 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN A-KETO~2-N1006 Contamination?? 7.9019 1139.0 2.6 scans 60% 156 m/z 4.4% 0.0113% 172 1.1 52 5544 0.0153% 49099 43322 65914 6-4 4: 156 55 75 157 0.955 7.96 -3.2 97 98 91 98 156 29.5 31.789 -0.055 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1192 Contamination 7.9860 1144.0 2.6 scans 70% 73 m/z 4.9% 0.0162% 181 1.3 65 4975 0.0254% 69929 67782 109426 3-0 13: 73 147 133 220 235 146 72 59 86 89 148 100 103 0.975 7.99 -0.2 91 92 88 92 235 11.9 3.359 -0.003 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN WTF2-N1026 Cadaverine NC 8.1870 1155.9 3.1 scans 76% 174 m/z 1.6% 0.0426% 200 0.9 84 14648 0.0542% 183916 126345 233500 1-9 11: 174 73 216 86 142 160 59 176 130 100 217 0.980 7.74 26.7 96 96 92 99 216 20.1 5.728 0.451 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1188 Contamination 8.3701 1166.8 3.9 scans 75% 281 m/z 1.4% 0.0546% 217 1.7 97 16859 0.0653% 235316 232279 281320 4-1 17: 281 369 147 282 283 370 265 249 148 207 284 191 251 267 250 205 133 0.908 8.41 -2.6 100 99 97 100 369 30.6 9.892 -0.045 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1190 Contamination 8.4311 1170.4 3.3 scans 62% 73 m/z 4.4% 0.0174% 223 1.4 60 5574 0.0382% 75295 73314 164570 0-3 9: 73 211 140 198 77 70 186 69 126 0.968 8.48 -3.1 90 90 85 92 309 5.8 0.952 -0.053 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1184 Valine 9.1666 1213.8 3.2 scans 63% 144 m/z 3.8% 0.0116% 293 0.7 47 6517 50301 45593 2-1 3: 144 145 218 0.969 9.19 -1.2 93 94 85 94 218 15.1 10.447 -0.021 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1180 Benzoic acid 9.7348 1247.0 3.1 scans 77% 179 m/z (217) 3.5% 0.0199% 347 1.1 61 6932 86002 76101 1-3 9: 179 105 135 77 180 51 194 136 106 0.947 9.76 -1.5 93 94 88 97 194 9.5 2.418 -0.024 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1178 Ethanolamine 9.9947 1262.2 3.8 scans 73% 174 m/z 1.9% 0.0236% 371 1.3 70 12729 0.168% 101843 101843 723763 0-0 10: 174 73 175 100 86 176 147 59 262 130 0.964 10.03 -2.3 97 97 91 97 262 8.2 1.388 -0.039 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN VEN77_S6-N1002 Glycerol 10.0641 1266.3 2.6 scans 92% TIC 0.063% 0.717% 378 1.7 408 388981 3092689 3009867 1-2 0.990 10.09 -1.7 100 99 97 100 299 247.1 36.769 -0.030 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LACTIC~1-N1034 Glycerol 10.0936 1268.0 3.5 scans 82% 205 m/z (299) 0.68% 0.167% 381 0.7 169 36512 0.181% 723429 684222 779769 1-2 16: 205 147 117 218 103 206 204 148 175 129 101 217 219 118 220 176 0.982 10.11 -1.0 95 95 94 99 293 10.6 0.391 -0.016 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2293 1276.0 2.6 scans 85% 73 m/z 1.3% 0.0342% 394 1.1 93 18603 147696 137412 1-2 12: 73 198 77 211 70 199 212 239 289 74 381 200 0.981 10.24 -0.6 97 96 93 96 381 10.4 1.256 -0.011 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1176 Isoleucine 10.4250 1287.4 >4 scans 59% TIC 5.6% 0.00728% 412 1.9 40 4391 0.0462% 31377 31377 199035 0-0 0.943 10.46 -2.0 91 92 83 92 260 0.0 0.000 -0.034 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1174 Proline 10.5103 1292.4 2.9 scans 76% 142 m/z (180) 0.92% 0.0391% 420 1.0 88 26860 0.0504% 168657 151540 217129 4-1 6: 142 143 216 144 66 72 0.992 10.55 -2.0 94 95 95 95 142 64.9 54.424 -0.035 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1012 Proline 10.5103 1292.4 2.9 scans 75% 142 m/z 0.92% 0.0373% 420 1.0 88 26991 0.0481% 160889 144561 207220 4-1 6: 142 143 216 144 66 72 0.991 10.53 -1.4 97 96 92 96 216 17.0 3.790 -0.023 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1014 Maleic acid 10.5881 1297.0 2.5 scans 95% 147 m/z 0.16% 0.237% 428 1.0 252 146616 1.10% 1022066 990354 4738927 3-1 20: 147 73 245 148 75 149 83 133 74 115 246 143 170 59 126 215 58 247 53 66 0.997 10.60 -0.8 100 99 99 99 245 58.9 5.455 -0.014 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1170 Glycine 10.6492 1300.6 3.5 scans 62% TIC 2.5% 0.00955% 434 1.2 64 9796 0.944% 41170 41170 4066861 0-0 0.989 10.69 -2.2 91 91 84 91 276 10.0 2.415 -0.038 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7302 1305.4 2.9 scans 93% TIC 0.054% 1.05% 441 1.3 446 457284 4550898 4342902 7-1 0.959 10.76 -1.7 99 98 98 100 251 104.4 5.488 -0.028 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1168 Glyceric acid 11.0101 1322.3 2.5 scans 94% 73 m/z 0.36% 0.199% 468 1.1 231 68736 857937 810046 1-4 20: 73 147 292 189 133 103 205 293 190 148 117 102 307 294 75 74 149 59 191 101 0.995 11.05 -2.6 100 99 99 99 292 69.3 8.984 -0.044 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0711 1326.0 2.7 scans 56% 184 m/z 8.5% 0.00849% 474 1.1 45 2894 0.0114% 36582 36582 49113 0-0 5: 184 134 285 174 86 0.883 11.06 0.5 89 90 71 93 285 15.0 10.927 0.008 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1018 Uracil 11.1321 1329.6 2.7 scans 73% 241 m/z 7.1% 0.0104% 480 1.1 49 3495 44920 42104 1-2 7: 241 256 99 255 242 113 183 0.973 11.15 -1.0 94 93 84 99 256 16.0 10.629 -0.016 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1162 Fumaric acid 11.3541 1343.0 2.5 scans 96% 245 m/z 0.22% 0.218% 501 1.1 235 112114 940051 885641 3-1 20: 245 147 73 246 75 143 247 83 148 133 115 149 155 84 74 53 61 127 240 59 1.000 11.39 -2.3 100 99 99 100 245 132.7 31.994 -0.039 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4530 1348.9 2.8 scans 27% 57 m/z (84) 1.2% 0.0506% 510 1.2 104 19366 218289 192975 2-3 14: 57 97 145 115 127 56 69 129 109 111 71 128 98 113 0.891 11.45 0.4 87 87 93 99 145 30.5 8.579 0.007 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4625 1349.5 2.8 scans 76% 84 m/z 0.32% 0.159% 511 1.1 189 76109 686647 609412 2-2 20: 84 133 161 162 119 92 118 65 85 51 82 63 130 78 117 134 91 64 105 77 0.863 10.96 30.5 96 98 97 99 161 47.8 6.389 0.506 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1020 Serine 11.5004 1351.8 >3 scans 90% TIC 0.77% 0.110% 515 1.2 153 32229 0.502% 475926 437000 2162674 0-2 0.999 11.51 -0.8 99 99 98 99 306 15.6 1.035 -0.013 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN BRA4_R~2-N1008 Thymine 11.5898 1357.2 3.0 scans 66% TIC 4.8% 0.00832% 523 2.3 40 5162 0.396% 35858 30143 1706014 0-4 0.944 11.58 0.4 98 98 97 99 270 14.0 11.947 0.006 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1024 Threonine 11.9128 1376.6 2.6 scans 90% 73 m/z 1.1% 0.0678% 554 1.1 131 20697 0.0768% 292275 276167 330863 6-2 20: 73 218 219 117 291 292 101 220 147 100 293 132 57 74 320 128 203 75 221 129 0.999 11.92 -0.5 99 98 97 99 320 13.3 1.040 -0.008 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1148 Glutamine?? 13.2849 1462.0 2.8 scans 90% TIC 0.57% 0.0896% 684 1.1 145 42846 0.110% 386356 366465 473893 2-1 0.985 13.35 -3.9 96 94 96 98 257 11.8 0.660 -0.062 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1146 Malic acid 13.5458 1478.4 2.7 scans 99% 73 m/z 0.023% 3.19% 709 0.7 869 1048775 13746487 13742916 1-0 20: 73 147 233 245 133 189 75 148 190 335 175 191 149 74 55 101 234 217 59 265 0.999 13.62 -4.4 100 99 99 100 350 22.1 0.065 -0.071 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1142 Erythritol/Threitol 13.7079 1488.6 2.7 scans 81% 73 m/z 1.9% 0.0395% 724 1.2 99 12772 1.99% 170389 170032 8573149 1-0 20: 73 217 147 103 205 117 204 307 191 189 218 206 133 293 74 219 148 116 277 320 0.982 13.89 -11.5 96 95 94 97 320 8.4 0.725 -0.182 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0172 1508.5 2.5 scans 27% 232 m/z (156) 1.0% 0.0413% 754 1.0 102 24473 178060 171767 1-1 13: 232 233 218 100 234 188 202 216 334 117 292 130 132 0.677 14.02 0.0 92 94 83 98 258 5.3 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1140 Aspartic acid 14.0172 1508.5 2.5 scans 38% 232 m/z 1.0% 0.0577% 754 1.0 121 24571 249006 240206 1-1 13: 232 233 218 100 234 188 202 216 334 117 292 130 132 0.485 14.09 -4.6 86 89 60 96 349 6.7 0.309 -0.070 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0278 1509.2 2.9 scans 86% 156 m/z 0.45% 0.128% 755 1.0 170 54788 553708 551979 0-1 19: 156 147 157 258 230 158 140 259 148 112 86 221 55 85 84 121 141 260 214 0.838 14.03 -0.1 96 95 97 98 258 31.7 3.491 -0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1032 GABA 14.1845 1519.6 2.8 scans 85% TIC 1.3% 0.0498% 770 1.5 104 18056 0.140% 214761 194742 603136 6-0 0.993 14.19 -0.2 97 97 94 97 304 32.8 9.925 -0.003 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3645 1531.5 >5 scans 86% TIC 3.9% 0.0285% 787 1.5 69 6281 0.208% 123132 123132 896088 0-0 0.977 14.62 -17.1 88 88 84 89 409 0.0 0.000 -0.257 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6086 1547.7 2.6 scans 75% TIC 3.6% 0.0172% 810 1.4 66 6843 74190 66353 0-1 0.957 14.69 -5.5 89 90 80 91 409 4.6 0.477 -0.083 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7369 1556.2 2.8 scans 48% 174 m/z (267) 0.99% 0.0491% 822 1.1 107 24911 211843 205934 1-1 11: 174 175 86 176 250 100 130 251 65 144 162 0.952 14.16 37.9 89 95 93 98 250 21.6 4.094 0.572 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3767 1598.7 2.6 scans 70% 217 m/z 1.9% 0.0237% 883 1.2 84 12782 0.0331% 102195 102195 142599 0-0 5: 217 218 147 103 89 0.901 15.44 -4.3 88 88 86 88 393 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1036 Glutamic acic 15.5029 1607.4 2.4 scans 44% 246 m/z 11% 0.00243% 895 1.1 26 2112 10483 10483 0-0 1: 246 0.979 15.50 -0.0 89 91 69 91 363 0.0 0.000 -0.000 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1118 Phenylalanine 15.6008 1614.2 2.6 scans 41% 218 m/z 4.5% 0.00988% 904 1.0 48 5512 42570 41862 0-1 6: 218 192 219 100 220 266 0.767 15.66 -4.0 87 91 57 89 294 4.5 0.884 -0.058 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1038 Xylose 15.8901 1634.2 5.7 scans 63% 217 m/z (257) 6.0% 0.0155% 932 1.4 54 4089 0.0487% 66946 65724 209805 1-0 5: 217 307 103 73 218 0.966 15.89 0.0 89 91 83 95 307 15.8 8.518 0.000 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1040 Xylose 16.0059 1642.3 2.6 scans 89% 73 m/z 1.1% 0.0653% 943 1.0 129 21650 281493 269543 1-0 20: 73 103 307 217 147 308 189 218 160 309 277 205 234 133 74 204 104 75 89 148 0.991 16.00 0.2 97 96 95 98 307 36.9 8.124 0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1042 Ribose 16.1038 1649.1 2.8 scans 90% TIC 1.2% 0.0584% 952 1.0 118 19685 0.228% 251618 251485 982250 1-0 0.998 16.10 0.1 96 94 95 99 307 33.5 8.097 0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.2268 1657.6 2.8 scans 34% 290 m/z 3.3% 0.00961% 964 1.6 44 7497 41405 39634 1-2 3: 290 291 292 0.836 16.28 -3.5 94 94 64 94 392 7.8 3.159 -0.049 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6130 1684.4 2.7 scans 89% TIC 1.2% 0.0827% 1000 1.7 133 19301 0.128% 356342 329164 551439 1-0 0.993 16.68 -4.4 99 98 96 98 497 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1104 Rhamnose 16.8750 1702.8 2.6 scans 60% 117 m/z 3.6% 0.0181% 1025 1.1 67 6716 0.0628% 78281 73422 270550 1-0 6: 117 160 277 118 392 219 0.938 16.93 -4.1 82 83 84 86 392 8.8 1.733 -0.057 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9255 1706.5 3.9 scans 62% TIC 5.0% 0.0140% 1030 2.0 69 4872 0.302% 60684 60684 1301051 0-0 0.931 16.99 -4.6 91 93 84 92 422 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9971 1711.7 2.8 scans 91% TIC 0.72% 0.126% 1037 1.3 174 34395 0.417% 544015 536746 1796484 0-1 0.992 17.06 -4.8 96 95 95 95 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1044 Putrescine 17.1886 1725.7 2.7 scans 80% 174 m/z (73) 0.75% 0.0524% 1055 1.1 112 33101 225866 225866 0-0 16: 174 175 214 176 172 86 100 361 200 130 215 142 146 362 187 126 0.994 17.19 0.1 97 98 97 99 376 9.0 0.646 0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1096 Putrescine 17.1886 1725.7 2.7 scans 69% 174 m/z 0.74% 0.0451% 1055 1.1 104 33250 194380 194380 0-0 16: 174 175 214 176 172 86 100 361 200 130 215 142 146 362 187 126 0.992 17.25 -4.3 98 97 96 99 458 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5663 1753.2 2.7 scans 93% 217 m/z 0.19% 0.272% 1091 1.1 257 124242 0.421% 1174919 1089978 1813716 5-1 20: 217 73 218 147 219 74 191 305 75 232 133 148 129 230 220 149 203 103 169 189 0.999 17.63 -4.8 97 96 96 98 450 37.1 2.086 -0.066 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6957 1762.7 3.8 scans 82% TIC 0.68% 0.178% 1103 0.6 176 36214 0.345% 769451 698496 1486300 1-0 0.943 17.70 -0.2 97 96 96 98 375 18.8 1.139 -0.003 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1046 Shikimic acid 18.1271 1794.2 2.8 scans 84% TIC 0.43% 0.161% 1144 1.4 182 57458 0.272% 696647 596683 1171807 5-0 0.967 18.13 0.2 96 95 93 98 372 21.7 1.412 0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1048 Citric acid 18.2481 1803.1 2.6 scans 60% 273 m/z 2.2% 0.0358% 1156 1.0 96 10935 0.0459% 154588 154136 197742 0-1 17: 273 363 375 347 274 465 211 275 221 376 364 305 466 257 67 349 377 0.976 18.24 0.3 98 98 92 99 465 16.7 2.989 0.004 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1076 Pregnane?? 18.7826 1843.9 2.9 scans 96% 345 m/z 0.059% 1.41% 1207 1.0 555 417479 6114782 5901064 1-1 20: 345 73 346 255 147 347 334 204 256 191 435 419 372 133 74 257 148 348 239 75 0.998 18.86 -5.8 100 100 99 100 537 42.5 0.589 -0.075 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1074 Adenine 18.8826 1851.5 3.6 scans 20% 264 m/z 9.8% 0.00368% 1216 1.4 26 2520 0.105% 15879 15879 452352 0-0 3: 264 279 265 0.982 18.94 -4.4 88 89 74 92 415 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1072 Fructose 18.9826 1859.2 4.5 scans 97% 73 m/z 0.017% 9.77% 1226 0.6 1196 1421421 42122263 40465968 1-1 20: 73 307 217 103 147 308 277 218 309 133 364 205 189 74 117 219 104 148 89 191 1.000 19.03 -3.8 100 98 99 100 364 141.1 1.396 -0.050 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1052 Fructose 19.1099 1868.9 4.4 scans 96% 73 m/z 0.022% 7.76% 1238 0.5 1070 1123511 17.6% 33472696 31711130 75822826 1-1 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 262 89 219 117 189 148 104 0.999 19.10 0.5 100 99 100 100 364 128.6 1.449 0.006 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1064 Mannose 19.3403 1886.4 5.5 scans 98% 319 m/z 0.010% 17.4% 1260 0.3 1495 2268831 75200381 75167180 1-0 20: 319 73 205 147 160 320 217 103 321 206 117 229 74 129 157 133 148 189 204 207 0.996 19.45 -8.8 100 99 99 100 319 596.9 15.999 -0.115 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1059 Glucose 19.5571 1903.1 3.0 scans 96% TIC 0.026% 4.50% 1280 0.6 963 939763 19407656 18505638 1-1 0.999 19.55 0.4 100 99 99 100 376 41.0 0.182 0.005 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1056 Ascorbic acid 19.9074 1931.3 3.1 scans 83% TIC 0.85% 0.107% 1314 0.6 151 29078 0.284% 463587 463587 1223505 0-0 0.952 19.99 -6.4 96 95 92 97 449 15.4 1.039 -0.079 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2862 1961.8 2.7 scans 60% 204 m/z 1.8% 0.0449% 1350 1.3 99 13657 193672 177622 1-2 7: 204 191 205 206 192 129 149 0.866 20.41 -10.2 81 79 83 86 217 29.7 8.929 -0.128 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2936 1962.3 3.4 scans 70% TIC 1.5% 0.0554% 1350 1.2 107 16353 239033 227782 1-1 0.805 20.30 -0.2 88 92 86 89 433 9.2 0.738 -0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6783 2077.0 3.1 scans 98% 305 m/z 0.016% 8.98% 1482 0.5 1358 1526748 38698630 38644628 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 367 133 129 219 291 0.998 21.75 -5.9 100 100 100 100 507 110.6 0.666 -0.071 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8614 2092.4 3.1 scans 97% 319 m/z 0.097% 1.20% 1499 1.1 483 255793 5208553 5063068 1-1 20: 319 73 205 147 320 217 103 321 262 206 117 74 229 204 133 157 148 89 291 129 1.000 21.93 -5.7 96 93 96 99 656 10.9 0.051 -0.069 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1875 2120.6 2.7 scans 87% 396 m/z 0.33% 0.264% 1530 1.1 257 73975 0.294% 1141051 1141051 1266586 0-0 20: 396 219 73 397 381 398 220 307 191 382 249 293 75 74 399 221 308 383 267 192 0.896 22.19 0.1 99 99 96 100 396 107.8 17.595 0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1032 trans-Caffeic acid 22.1949 2121.2 2.8 scans 60% 319 m/z 0.38% 0.164% 1531 1.3 208 65075 0.419% 706871 706871 1805100 0-0 20: 319 205 147 320 103 217 321 117 206 291 218 157 229 204 148 172 149 277 305 104 0.573 22.25 -4.8 88 91 62 91 396 105.2 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6695 2162.7 3.2 scans 92% 204 m/z 0.64% 0.103% 1576 1.3 145 38487 0.176% 447495 425209 758228 1-0 20: 204 73 205 217 147 361 206 145 249 117 129 191 218 131 243 74 219 103 263 75 0.997 22.71 -3.8 96 93 95 98 518 0.0 0.000 -0.045 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN WTF2-N1036 C18:0 23.4028 2228.0 3.5 scans 79% 341 m/z 6.4% 0.0179% 1646 1.9 54 3866 0.0201% 77457 77457 86593 0-0 8: 341 117 132 145 342 55 129 57 0.985 22.89 46.2 83 91 78 90 356 7.9 2.134 0.514 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1278 2294.2 2.9 scans 73% 204 m/z 6.7% 0.00890% 1715 1.4 43 3653 0.0181% 38360 35451 77977 0-2 4: 204 337 205 147 0.959 24.01 10.7 87 88 80 87 490 0.0 0.000 0.118 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6581 2344.4 3.7 scans 78% TIC 3.4% 0.0388% 1765 0.5 74 7135 0.0541% 167540 154820 233069 3-2 0.934 24.65 0.8 89 89 84 89 466 0.0 0.000 0.008 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5342 2529.0 2.7 scans 44% 512 m/z 2.4% 0.0379% 1943 1.0 94 9985 163425 163425 0-0 18: 512 455 513 247 456 57 514 483 349 248 457 263 497 484 423 235 233 383 0.721 26.57 -4.1 95 96 65 95 512 39.6 17.747 -0.039 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN WTF2-N1032 Sucrose 26.6510 2541.1 2.7 scans 75% 361 m/z 8.4% 0.0117% 1954 0.9 55 2933 0.0959% 50591 47910 413148 0-1 10: 361 73 437 217 273 362 438 129 363 147 0.975 26.87 -22.6 85 86 79 87 451 6.4 1.390 -0.219 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1020 Sucrose 27.4117 2620.4 9.5 scans 9.7% 437 m/z (361) 0.045% 2.93% 2027 1.2 468 548896 12624360 12476401 1-1 17: 437 439 452 453 118 248 464 455 88 260 348 373 308 467 336 315 295 0.660 27.46 -5.2 95 97 97 99 437 293.6 39.479 -0.049 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1010 Sucrose 27.4117 2620.4 9.5 scans 97% 437 m/z 0.0078% 28.8% 2027 1.2 1477 3148367 124376105 122918406 1-1 17: 437 439 452 453 118 248 464 455 88 260 348 373 308 467 336 315 295 0.998 27.58 -17.8 100 99 98 99 437 292.4 3.945 -0.167 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1018 Sucrose 27.4159 2620.8 9.1 scans 49% 361 m/z (73) 0.0077% 14.8% 2027 1.1 1057 3204241 63891721 62147637 1-1 20: 361 362 271 364 320 272 230 229 345 273 190 321 170 291 192 333 215 220 317 156 0.874 27.47 -5.7 91 95 56 93 437 293.6 7.780 -0.054 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1014 Sucrose 27.4243 2621.7 8.9 scans 94% 331 m/z 0.0077% 22.4% 2028 0.5 1452 3204241 27.0% 96638655 93671142 116319107 1-0 20: 331 219 257 149 157 247 259 183 365 307 171 206 346 293 322 274 199 141 134 145 1.000 27.49 -7.0 100 100 99 100 437 293.6 4.121 -0.066 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1008 Sucrose 27.4517 2624.6 8.4 scans 99% 73 m/z 0.0082% 26.5% 2031 0.2 1494 3006271 114199383 110758417 1-1 20: 73 217 103 147 129 271 169 74 218 243 75 319 191 133 219 117 131 148 189 157 0.999 27.59 -14.9 100 99 97 99 437 274.7 3.402 -0.139 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN LQC1-N1006 Trehalose 28.3250 2718.8 3.2 scans 90% 361 m/z 1.9% 0.0599% 2114 1.5 105 12777 258222 226455 5-3 20: 361 73 204 362 217 147 205 363 319 271 103 129 117 218 169 480 320 74 148 206 0.997 28.47 -16.1 83 78 72 93 565 0.0 0.000 -0.143 G:\GCMS data\Nicotiana Panel polar\BRA4_REP3.FIN GUA35_L1-N1020 Galactinol 30.6451 2984.2 3.2 scans 93% 204 m/z 1.6% 0.0405% 2334 1.3 90 15051 174776 160361 2-6 18: 204 73 217 205 191 147 206 305 293 361 129 433 192 218 103 219 306 362 0.999 30.55 11.8 82 82 90 82 641 0.0 0.000 0.100 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN EXBLK5S-N1006 Contamination 6.3479 1046.9 3.6 scans 63% 207 m/z 1.2% 0.0606% 25 1.6 104 22344 420893 285744 8-8 10: 207 73 295 208 209 296 279 191 177 74 0.912 6.63 -16.4 98 98 92 98 295 32.0 9.504 -0.277 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8214 1074.9 >9 scans 42% 147 m/z 5.8% 0.0160% 70 0.3 50 4670 0.0416% 111513 110279 288617 0-3 3: 147 117 73 0.911 6.82 0.0 99 100 100 100 295 2.3 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1194 Alanine 7.4106 1109.9 9.7 scans 56% 116 m/z 2.3% 0.0344% 126 0.6 64 11569 0.0432% 239030 239030 299718 0-0 1: 116 0.931 7.40 0.4 94 95 88 95 283 3.5 0.295 0.007 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9188 1140.0 2.6 scans 71% 156 m/z 2.8% 0.0125% 174 1.0 72 9441 0.0153% 86773 79349 106150 4-3 8: 156 75 55 157 54 61 76 158 0.980 7.96 -2.2 98 98 95 98 156 38.6 28.952 -0.038 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1192 Contamination 8.0020 1144.9 2.7 scans 71% 73 m/z 3.6% 0.0128% 182 1.1 75 7361 0.0496% 89352 88458 344121 1-0 13: 73 147 133 220 235 148 72 59 146 103 86 100 160 0.977 7.99 0.7 94 93 91 95 235 14.7 3.826 0.013 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN WTF2-N1026 Cadaverine NC 8.1882 1156.0 3.1 scans 83% 174 m/z 0.78% 0.0669% 200 1.0 131 34482 0.0831% 464319 312638 576541 0-9 20: 174 73 86 175 216 142 59 130 100 160 176 217 143 74 131 158 117 116 161 72 0.995 7.74 26.8 94 94 91 99 216 29.2 4.990 0.452 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1188 Contamination 8.3723 1166.9 4.7 scans 60% 281 m/z 3.7% 0.0150% 217 1.9 62 7166 0.0198% 104605 103844 137371 1-1 8: 281 369 282 147 283 265 249 371 0.995 8.41 -2.5 99 99 96 99 369 18.8 9.257 -0.043 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1190 Contamination 8.4481 1171.4 2.8 scans 73% TIC 2.7% 0.0122% 224 1.3 73 9770 0.0477% 84965 84965 330938 0-0 0.967 8.48 -2.1 89 87 84 94 309 6.5 0.787 -0.036 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1184 Valine 9.1762 1214.3 3.8 scans 78% TIC 1.8% 0.0211% 294 0.9 77 14904 0.0373% 146899 136280 258784 3-2 0.977 9.19 -0.7 97 97 92 98 218 23.6 9.307 -0.012 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1180 Benzoic acid 9.7412 1247.4 3.1 scans 68% 179 m/z 4.8% 0.0110% 347 1.0 59 5633 76356 68659 1-4 7: 179 105 135 77 180 194 136 0.912 9.76 -1.1 89 87 84 97 194 9.5 2.651 -0.018 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1178 Ethanolamine 9.9980 1262.4 3.9 scans 91% 174 m/z 0.64% 0.0735% 372 0.9 136 42145 0.261% 510236 484872 1810795 2-0 15: 174 73 100 86 176 133 59 130 262 131 74 114 148 101 88 0.996 10.03 -2.1 100 99 98 99 262 14.3 1.114 -0.036 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN VEN77_S6-N1002 Glycerol 10.0758 1267.0 2.8 scans 92% TIC 0.040% 0.805% 379 1.2 543 672765 5588629 5404109 1-1 0.975 10.09 -1.0 100 99 98 100 299 325.6 36.134 -0.018 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LACTIC~1-N1034 Glycerol 10.0990 1268.3 3.7 scans 34% 205 m/z (299) 0.61% 0.123% 381 0.7 180 44360 0.139% 856336 806709 964370 0-2 10: 205 117 218 206 204 175 219 129 217 293 0.931 10.11 -0.7 94 98 93 98 293 11.6 0.417 -0.011 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2379 1276.5 2.6 scans 87% 73 m/z 1.1% 0.0280% 395 1.1 104 23493 194699 185628 1-1 15: 73 198 77 211 70 199 74 239 212 289 381 72 143 200 92 0.982 10.24 -0.1 97 96 95 97 381 11.1 1.133 -0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1176 Isoleucine 10.4357 1288.0 >3 scans 73% TIC 2.0% 0.0166% 413 1.2 75 13469 0.592% 115529 114963 4107245 1-0 0.974 10.46 -1.4 98 97 93 97 260 5.8 0.608 -0.023 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1012 Proline 10.5220 1293.1 2.9 scans 95% 142 m/z 0.048% 0.589% 422 0.7 434 564533 0.703% 4089574 3728324 4877353 6-0 20: 142 73 143 216 147 144 59 72 75 74 66 217 101 100 133 148 244 218 131 70 0.996 10.53 -0.7 100 98 99 100 216 80.1 3.417 -0.011 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1014 Maleic acid 10.5914 1297.2 2.6 scans 91% 147 m/z 0.21% 0.134% 428 1.0 240 128451 1.26% 933405 883358 8741771 0-2 20: 147 73 245 148 75 149 83 133 74 115 246 143 84 170 59 58 126 215 61 155 0.994 10.60 -0.6 100 99 99 100 245 55.9 5.438 -0.011 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1170 Glycine 10.6535 1300.8 3.7 scans 61% TIC 1.9% 0.00794% 434 1.7 77 13897 1.23% 55111 55111 8533634 0-0 0.977 10.69 -2.0 92 92 84 92 276 13.0 2.852 -0.034 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7398 1306.0 3.1 scans 94% TIC 0.034% 1.08% 442 1.1 584 782903 1.09% 7521907 7192084 7562326 3-1 0.967 10.76 -1.1 99 98 97 100 251 133.5 5.257 -0.018 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1168 Glyceric acid 11.0186 1322.8 2.4 scans 97% 73 m/z 0.10% 0.474% 469 0.9 448 256465 3292411 3224995 1-1 20: 73 147 292 189 133 103 205 293 117 102 190 307 148 75 74 294 59 149 101 191 0.998 11.05 -2.1 100 100 99 100 292 134.6 9.038 -0.035 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0754 1326.2 >3 scans 66% TIC 9.8% 0.00471% 474 1.5 50 2750 0.335% 32693 32693 2324201 0-0 0.950 11.06 0.7 88 88 79 92 285 14.2 8.112 0.012 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1018 Uracil 11.1364 1329.9 2.6 scans 63% 241 m/z 6.9% 0.00585% 480 1.4 48 3928 40634 40634 0-1 7: 241 99 255 256 242 183 113 0.934 11.15 -0.7 95 94 91 99 256 16.0 11.034 -0.012 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1162 Fumaric acid 11.3574 1343.2 2.3 scans 95% 245 m/z 0.21% 0.145% 501 0.9 256 126267 1006811 949978 2-1 20: 245 147 73 246 75 247 143 83 133 148 149 84 115 240 155 74 53 61 59 127 0.998 11.39 -2.1 99 98 98 99 245 141.1 30.446 -0.036 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4563 1349.1 3.0 scans 35% 57 m/z 1.3% 0.0313% 510 1.0 104 20361 0.0360% 217441 199317 249765 2-0 13: 57 97 115 145 127 129 69 109 111 72 59 71 98 0.818 11.45 0.6 93 92 94 98 145 29.8 8.265 0.010 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4689 1349.9 2.9 scans 78% 84 m/z 0.32% 0.111% 512 1.2 193 83177 770826 742145 1-2 19: 84 133 161 162 119 92 51 85 82 65 118 63 130 78 134 91 64 163 106 0.885 10.96 30.9 94 97 95 98 161 48.4 6.294 0.513 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1020 Serine 11.5037 1352.0 6.4 scans 90% TIC 0.40% 0.134% 515 0.9 220 66994 0.248% 935383 889791 1720603 0-1 0.997 11.51 -0.6 100 99 98 99 306 22.5 1.045 -0.009 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1160 Serine 11.5047 1352.1 2.5 scans 88% 204 m/z (84) 0.41% 0.116% 515 1.0 218 65853 808923 750297 4-1 18: 204 73 218 205 147 100 219 278 206 220 74 306 116 189 203 114 103 101 0.996 11.56 -3.1 97 98 97 98 306 22.3 1.044 -0.052 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1022 Thymine 11.5910 1357.3 2.6 scans 74% 255 m/z 2.2% 0.0108% 523 1.2 65 12041 75333 73691 0-1 7: 255 270 256 269 271 257 120 0.951 11.60 -0.5 99 99 91 99 270 22.7 12.058 -0.008 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1024 Threonine 11.9151 1376.8 2.5 scans 94% TIC 0.55% 0.0993% 554 0.8 198 48797 0.105% 689513 636574 728481 5-1 0.993 11.92 -0.3 100 99 99 99 320 18.1 0.837 -0.006 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1148 Glutamine?? 13.2850 1462.0 2.7 scans 86% 155 m/z 0.61% 0.0548% 684 1.2 148 44046 0.141% 380869 366459 978246 0-2 19: 155 73 147 156 229 139 59 74 100 148 157 84 257 131 72 230 103 56 61 0.967 13.35 -3.9 94 92 95 97 257 11.5 0.603 -0.062 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1146 Malic acid 13.5428 1478.2 2.6 scans 97% 73 m/z 0.033% 1.51% 709 0.6 762 813849 10518290 9821076 1-1 20: 73 147 233 245 133 189 148 190 75 335 175 191 149 74 55 101 234 265 307 217 0.998 13.62 -4.6 100 99 99 99 350 19.8 0.067 -0.074 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1142 Erythritol/Threitol 13.7091 1488.7 2.7 scans 69% 217 m/z 2.4% 0.0217% 724 1.2 92 11288 0.633% 150907 148362 4391699 1-0 13: 217 147 205 103 117 307 204 189 218 191 293 206 308 0.972 13.89 -11.4 95 95 93 95 320 7.9 0.736 -0.181 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7438 1490.9 2.7 scans 38% 243 m/z 11% 0.00398% 728 1.0 39 2372 0.00554% 27669 27669 38436 0-0 4: 243 115 100 128 0.925 13.81 -3.9 83 85 61 85 243 19.2 24.233 -0.062 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0174 1508.5 2.5 scans 24% 232 m/z (73) 0.47% 0.0583% 754 1.0 151 57569 404837 377608 1-2 20: 232 233 100 218 234 188 202 216 117 306 219 334 101 132 292 130 221 235 203 220 0.918 14.02 0.0 93 94 90 99 258 6.8 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1140 Aspartic acid 14.0268 1509.1 3.4 scans 59% 73 m/z (156) 0.23% 0.193% 755 0.9 244 114405 1342842 1293693 1-1 20: 73 147 75 74 72 59 231 133 148 86 66 131 70 57 114 99 273 244 60 71 0.955 14.09 -4.0 94 95 95 97 349 10.2 0.174 -0.060 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0268 1509.1 3.4 scans 86% 73 m/z (232) 0.14% 0.281% 755 0.9 294 186109 1950605 1879211 1-1 20: 73 147 75 74 72 59 231 133 148 86 66 131 70 57 114 99 273 244 60 71 0.995 14.03 -0.2 97 98 98 99 258 57.3 3.782 -0.003 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0310 1509.4 2.9 scans 79% 156 m/z (232) 0.14% 0.216% 755 0.9 282 186109 1498738 1497263 0-1 20: 156 157 258 230 158 72 259 231 148 140 58 121 112 66 85 55 260 154 67 56 0.989 14.11 -5.3 97 98 97 99 273 11.3 0.162 -0.079 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1032 GABA 14.1836 1519.5 3.3 scans 86% TIC 0.93% 0.0611% 770 1.8 139 29074 0.123% 424574 424293 853363 1-0 0.984 14.19 -0.3 99 98 97 98 304 41.5 8.960 -0.004 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3604 1531.3 2.6 scans 55% 292 m/z 4.8% 0.0122% 786 1.2 70 5612 84751 81469 1-1 6: 292 220 205 293 221 294 0.897 14.69 -21.9 92 93 79 93 409 6.3 0.833 -0.332 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6087 1547.7 2.6 scans 95% 73 m/z 0.33% 0.150% 810 1.1 248 81981 1046808 991302 1-1 20: 73 292 147 220 205 293 117 217 103 294 221 148 133 74 319 149 75 291 206 102 0.999 14.62 -0.9 99 98 98 98 409 18.2 0.536 -0.012 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7371 1556.2 2.7 scans 46% 174 m/z (267) 0.51% 0.0646% 822 1.1 158 53080 448334 441487 1-0 17: 174 86 175 176 250 100 59 65 130 162 158 144 252 160 101 172 102 0.958 14.16 37.9 89 94 92 99 250 30.6 3.782 0.572 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3810 1598.9 2.6 scans 71% 217 m/z 1.3% 0.0205% 883 1.5 98 19682 0.0310% 142853 142853 215075 0-0 8: 217 73 218 219 215 129 189 230 0.940 15.44 -4.1 94 94 91 94 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1036 Glutamic acic 15.5020 1607.3 2.6 scans 65% TIC 5.7% 0.00444% 895 0.6 48 4722 0.0323% 30839 30839 224095 0-0 0.963 15.50 -0.1 97 97 94 99 363 4.9 1.046 -0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1118 Phenylalanine 15.6009 1614.2 2.8 scans 75% 218 m/z (267) 2.5% 0.0219% 904 1.2 89 10850 152432 148946 0-2 6: 218 192 219 100 266 220 0.982 15.66 -4.0 89 88 91 97 294 7.2 0.652 -0.058 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1038 Xylose 15.8913 1634.3 >3 scans 72% TIC 2.5% 0.0156% 932 0.9 84 10482 0.180% 108791 108791 1248824 0-0 0.960 15.89 0.1 92 90 89 97 307 23.1 7.593 0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1040 Xylose 16.0060 1642.3 2.6 scans 92% 73 m/z 0.60% 0.0839% 943 1.1 187 44982 0.125% 582342 574974 867239 2-0 20: 73 103 217 307 147 308 189 160 277 218 309 104 133 204 205 74 75 219 89 105 0.995 16.00 0.2 97 95 97 99 307 51.7 7.662 0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1042 Ribose 16.1039 1649.1 2.9 scans 89% TIC 1.0% 0.0531% 952 1.4 134 25573 0.167% 369036 342541 1158632 1-0 0.998 16.10 0.1 96 94 95 99 307 38.5 8.236 0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.2270 1657.6 2.9 scans 16% 290 m/z 3.3% 0.00596% 964 1.7 44 8147 41409 38845 1-2 4: 290 291 292 392 0.967 16.28 -3.5 92 93 58 93 392 8.9 4.179 -0.049 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6142 1684.5 2.7 scans 88% 73 m/z 1.1% 0.0549% 1001 1.4 144 23743 0.0729% 381415 356013 505774 1-0 20: 73 307 319 147 103 217 205 320 308 306 321 129 148 277 229 189 74 218 243 133 0.995 16.68 -4.3 99 99 97 99 497 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1104 Rhamnose 16.8730 1702.6 2.8 scans 63% 117 m/z (217) 3.9% 0.0123% 1025 1.3 68 6947 0.0772% 85498 85498 535607 0-0 7: 117 160 392 277 89 305 118 0.966 16.93 -4.3 81 83 82 84 392 10.9 2.583 -0.059 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9277 1706.6 5.0 scans 68% TIC 3.1% 0.0203% 1030 2.4 86 8663 0.245% 141494 141494 1699789 0-0 0.968 16.99 -4.5 92 92 89 92 422 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9982 1711.8 3.0 scans 89% TIC 0.80% 0.0801% 1037 1.1 170 33800 0.319% 556105 517000 2213194 0-3 0.997 17.06 -4.7 98 97 96 97 510 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1044 Putrescine 17.1908 1725.8 5.3 scans 86% TIC 0.33% 0.0870% 1055 1.6 175 80068 0.163% 603741 603741 1130880 0-0 0.998 17.19 0.2 98 97 97 99 376 12.9 0.545 0.003 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5664 1753.2 2.8 scans 93% 217 m/z 0.17% 0.219% 1091 1.0 288 159754 0.302% 1525420 1429061 2095250 4-1 19: 217 73 218 147 219 74 75 133 129 191 230 215 189 148 257 244 149 169 220 0.997 17.63 -4.8 97 96 96 98 450 35.1 1.484 -0.066 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7011 1763.1 3.2 scans 81% TIC 0.61% 0.137% 1104 0.5 197 44398 0.241% 950526 950526 1672037 0-0 0.945 17.70 0.2 98 98 94 98 375 22.3 1.282 0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1046 Shikimic acid 18.1314 1794.5 3.5 scans 74% 73 m/z 0.63% 0.118% 1145 1.1 162 43161 0.188% 820532 508667 1304328 6-0 20: 73 205 147 206 357 255 372 133 74 148 356 75 331 189 462 282 256 447 181 221 0.913 18.13 0.5 96 97 93 98 372 18.5 1.301 0.006 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1048 Citric acid 18.2482 1803.1 2.6 scans 29% 273 m/z (370) 4.3% 0.00930% 1156 1.0 61 6267 64528 64528 0-0 9: 273 274 375 347 363 465 275 376 348 0.864 18.24 0.3 91 94 65 95 465 12.9 4.435 0.004 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1076 Pregnane?? 18.8133 1846.2 3.9 scans 96% TIC 0.010% 6.79% 1210 0.4 1360 2676547 47145929 44072004 1-1 1.000 18.86 -3.5 100 100 99 100 537 101.7 0.562 -0.045 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1074 Adenine 18.8838 1851.6 3.4 scans 20% 264 m/z 7.0% 0.00333% 1216 1.6 31 3834 0.106% 23130 23130 735419 0-0 3: 264 279 265 0.962 18.94 -4.3 91 92 77 92 415 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1072 Fructose 18.9963 1860.2 6.4 scans 98% 73 m/z 0.015% 10.4% 1227 0.9 1346 1778428 18.5% 72604723 71331812 128351398 1-0 20: 73 307 217 103 147 308 218 277 309 133 364 189 205 74 117 219 104 148 191 89 0.999 19.03 -2.8 100 98 99 100 364 157.0 1.365 -0.037 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1052 Fructose 19.1352 1870.8 6.0 scans 99% 308 m/z 0.018% 8.08% 1240 0.3 1216 1435093 17.5% 56120184 56120184 121413485 0-0 20: 308 306 376 134 245 555 146 390 198 135 114 177 88 268 330 144 569 222 289 270 0.999 19.10 2.4 100 99 100 100 364 144.9 1.424 0.031 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1056 Glucose 19.3541 1887.5 8.1 scans 79% 278 m/z 0.013% 9.98% 1261 0.3 1346 1991341 12.9% 69275466 66897287 89499083 1-0 17: 278 376 279 247 309 222 323 464 375 106 164 554 448 192 367 310 328 0.999 19.33 1.7 100 99 98 99 364 95.7 0.508 0.022 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1064 Mannose 19.3720 1888.9 7.7 scans 96% TIC 0.011% 15.9% 1263 0.2 1557 2343545 110975274 110907783 1-0 0.998 19.45 -6.3 100 99 98 100 319 607.8 15.298 -0.083 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1066 Glucose 19.3815 1889.6 >2 scans 30% 464 m/z 0.020% 0.839% 1264 1.8 686 1345762 3.74% 5825827 5649649 25947796 0-1 17: 464 420 359 393 378 303 406 523 314 434 408 450 409 407 405 524 421 0.999 19.40 -1.3 82 81 59 84 319 460.6 45.536 -0.018 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1059 Glucose 19.5814 1905.1 3.3 scans 97% 319 m/z 0.019% 4.57% 1283 0.4 1181 1389428 31720201 30551213 1-1 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 74 129 157 204 148 189 207 0.999 19.55 2.4 100 98 99 99 376 50.8 0.186 0.029 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7297 1917.0 3.1 scans 71% 73 m/z 2.0% 0.0245% 1297 1.4 101 13569 0.0947% 170127 156421 657020 1-1 13: 73 244 205 147 117 103 148 59 89 206 307 245 133 0.963 19.79 -4.9 89 88 88 92 434 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN N406_R~2-N1016 Galacturonic acid 19.7855 1921.5 2.8 scans 9.7% 333 m/z 16% 0.00139% 1302 1.1 23 1682 9701 9701 0-0 1: 333 0.950 19.79 -0.6 84 89 80 88 423 0.0 0.000 -0.008 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1056 Ascorbic acid 19.9139 1931.8 2.9 scans 66% 332 m/z 1.8% 0.0303% 1314 0.9 105 14646 210594 209944 0-1 6: 332 374 359 449 331 361 0.941 19.99 -5.9 94 94 90 95 449 11.8 1.271 -0.072 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2927 1962.3 3.1 scans 83% 73 m/z (396) 1.2% 0.0518% 1350 1.6 130 21375 359846 347921 0-1 17: 73 191 147 217 205 206 218 192 189 193 129 74 133 149 305 435 131 0.989 20.41 -9.7 82 82 88 86 217 32.0 6.098 -0.121 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1052 Gluconic acid 2 20.5073 1979.5 >3 scans 58% TIC 3.5% 0.0105% 1371 3.1 78 7693 0.0588% 72962 72962 407949 0-0 0.896 20.60 -7.2 88 89 82 88 613 0.0 0.000 -0.090 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN WTF2-N1038 C16:0 21.1449 2032.2 3.0 scans 86% 313 m/z 3.8% 0.0240% 1431 1.9 86 7104 166674 153295 0-10 11: 313 117 132 129 314 145 57 55 328 118 131 0.981 20.62 43.9 81 83 86 94 328 9.6 1.266 0.528 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.7058 2079.3 7.2 scans 97% 433 m/z 0.013% 15.2% 1484 0.6 1538 1960156 105577240 104861814 1-0 12: 433 434 321 419 309 379 614 269 323 224 377 615 0.996 21.75 -3.6 100 100 99 100 507 119.7 0.608 -0.043 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN INOSIT~1-N1022 myo-Inositol 21.7058 2079.3 7.2 scans 9.7% 433 m/z (73) 0.11% 1.53% 1484 0.6 486 247027 10645778 10573638 1-0 12: 433 434 321 419 309 379 614 269 323 224 377 615 0.426 21.74 -3.0 80 91 58 94 507 119.7 6.055 -0.035 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1044 myo-Inositol 21.7131 2079.9 7.1 scans 13% 432 m/z (73) 0.046% 2.14% 1485 0.4 582 580214 14858024 14621916 1-1 20: 432 393 308 292 295 344 208 421 232 436 380 289 408 511 178 255 246 195 181 422 0.576 21.77 -4.5 82 92 41 88 612 43.4 0.557 -0.054 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1042 myo-Inositol 21.7184 2080.4 6.4 scans 77% 73 m/z (432) 0.014% 11.9% 1486 0.3 1442 1913547 82672437 80236113 1-1 20: 73 305 217 147 318 191 306 319 265 204 218 307 133 129 320 192 367 433 74 148 0.988 21.77 -4.7 95 97 95 96 318 307.5 4.559 -0.056 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8667 2092.8 3.0 scans 96% 319 m/z 0.11% 0.649% 1500 1.0 467 228822 4507259 4248311 1-2 20: 319 73 205 147 320 217 103 321 262 204 206 117 74 133 229 148 157 89 263 129 0.999 21.93 -5.3 95 92 96 99 656 10.9 0.055 -0.063 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1961 2121.3 2.5 scans 95% 396 m/z 0.15% 0.371% 1531 1.0 404 172226 0.431% 2575754 2471088 2990241 1-0 20: 396 219 73 397 381 398 319 191 220 307 147 382 249 205 293 75 74 320 103 399 1.000 22.19 0.8 95 92 90 100 396 164.8 16.659 0.010 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6717 2162.9 3.4 scans 90% 204 m/z 0.87% 0.0535% 1576 1.1 131 30970 0.0767% 371605 349749 532138 1-0 20: 204 73 205 217 147 361 249 206 145 131 117 129 218 191 74 219 75 148 133 363 0.994 22.71 -3.6 96 94 96 99 518 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN BRA4_R~4-N1012 Spermidine 22.9000 2182.8 3.0 scans 62% 200 m/z 15% 0.00517% 1598 1.4 42 1753 35873 34194 1-1 4: 200 174 201 172 0.937 22.90 -0.0 97 100 100 100 418 6.6 2.544 -0.000 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN WTF2-N1036 C18:0 23.4061 2228.3 4.0 scans 73% 341 m/z 8.6% 0.0107% 1646 1.8 51 3131 0.0134% 74890 74890 92968 0-0 8: 341 132 117 342 145 129 57 55 0.956 22.89 46.5 83 91 80 91 356 7.6 2.182 0.517 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN BRA4_R~2-N1006 Spermidine 23.5082 2237.6 2.8 scans 71% 144 m/z 10% 0.00741% 1656 1.0 53 2587 51427 51427 1-0 9: 144 174 116 156 170 86 160 172 142 0.972 23.51 -0.1 86 88 89 88 490 0.0 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1258 2294.0 2.8 scans 80% 204 m/z 2.9% 0.0141% 1714 1.3 71 9231 0.0213% 97826 87841 147778 2-2 10: 204 73 337 217 205 147 103 206 129 338 0.994 24.01 10.5 93 92 91 92 490 0.0 0.000 0.116 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6572 2344.3 3.5 scans 79% 73 m/z 4.0% 0.0180% 1765 1.0 73 6646 0.0292% 125543 118947 202587 0-2 12: 73 331 262 421 191 319 147 307 259 305 103 332 0.882 24.65 0.7 87 88 82 88 466 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5322 2528.8 2.8 scans 68% 512 m/z 2.4% 0.0299% 1943 1.1 107 11079 207565 204638 0-1 18: 512 455 513 247 456 57 483 514 457 219 263 349 484 207 179 409 249 203 0.920 26.57 -4.3 96 96 84 96 512 39.5 13.535 -0.041 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN WTF2-N1032 Sucrose 26.6479 2540.8 2.7 scans 85% 361 m/z 6.0% 0.0134% 1954 1.1 71 4477 0.0559% 93022 84174 387829 2-4 15: 361 273 73 217 437 362 438 149 147 274 129 439 218 103 231 0.996 26.87 -22.9 84 84 83 87 451 9.0 1.594 -0.222 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1020 Sucrose 27.3981 2618.9 10.8 scans 10% 438 m/z (361) 0.049% 2.06% 2025 2.3 467 549669 14303015 13770919 1-1 17: 438 453 291 454 142 241 464 373 441 463 316 90 98 114 442 525 358 0.719 27.46 -6.7 94 96 95 97 437 294.4 39.987 -0.063 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN TAB_REP6-N1070 Sucrose 27.3981 2618.9 10.8 scans 93% 438 m/z (437) 0.0085% 18.8% 2025 2.3 1410 3187519 130590412 125732228 1-1 17: 438 453 291 454 142 241 464 373 441 463 316 90 98 114 442 525 358 0.993 27.41 -1.2 88 85 74 98 451 0.0 0.000 -0.012 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1010 Sucrose 27.4223 2621.5 10.7 scans 98% TIC 0.0085% 21.3% 2028 1.1 1494 3167192 148097456 147813264 1-0 0.998 27.58 -16.7 100 99 98 99 437 286.4 3.699 -0.157 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1014 Sucrose 27.4244 2621.7 10.7 scans 93% 217 m/z 0.0085% 17.9% 2028 0.8 1452 3192153 19.9% 124610881 120594306 138064477 1-0 20: 217 218 331 143 291 170 273 221 203 163 317 171 202 139 113 269 154 53 274 421 1.000 27.49 -7.0 100 100 99 100 437 292.3 4.086 -0.066 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1012 Sucrose 27.4276 2622.0 10.7 scans 40% 147 m/z (361) 0.018% 8.82% 2028 0.1 958 1497391 61202999 60849749 1-0 18: 147 169 218 243 272 148 143 170 203 81 163 193 303 317 173 269 199 53 0.948 27.50 -7.9 81 83 90 92 437 16.9 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1016 Sucrose 27.4318 2622.5 10.7 scans 48% 169 m/z (361) 0.017% 10.1% 2029 0.8 1038 1550076 70666477 70666139 1-0 14: 169 191 219 189 230 244 192 305 303 233 260 348 199 263 0.975 27.48 -4.8 88 91 94 94 437 16.6 0.000 -0.045 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1008 Sucrose 27.4634 2625.9 10.3 scans 100% 73 m/z 0.0092% 18.3% 2032 0.2 1476 2938506 127508778 126580060 1-0 20: 73 147 103 129 169 74 75 117 133 131 104 143 59 130 69 155 55 435 101 81 0.999 27.59 -13.6 100 99 97 99 437 261.9 3.167 -0.128 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN LQC1-N1006 Trehalose 28.3315 2719.5 3.9 scans 86% TIC 2.9% 0.0366% 2114 1.0 93 9170 0.0388% 254101 239373 269191 6-1 0.990 28.47 -15.4 81 77 69 91 565 0.0 0.000 -0.137 G:\GCMS data\Nicotiana Panel polar\BRA4_REP4.FIN GUA35_L1-N1020 Galactinol 30.6642 2986.5 4.2 scans 93% 204 m/z 1.7% 0.0335% 2336 1.8 92 15757 232938 219187 2-2 15: 204 73 217 205 191 147 361 305 103 230 74 133 231 362 221 0.992 30.55 14.1 82 81 90 82 641 0.0 0.000 0.119 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN EXBLK5S-N1006 Contamination 6.6172 1062.8 >6 scans 26% TIC 5.0% 0.00342% 50 1.4 49 5444 0.0679% 22326 22326 442460 0-0 0.920 6.63 -0.5 93 94 84 95 295 15.2 9.779 -0.008 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN A-KETO~2-N1006 Contamination?? 8.0124 1145.5 2.4 scans 69% 156 m/z 3.6% 0.00976% 183 1.1 64 7475 63641 59074 1-1 5: 156 75 55 157 54 0.964 7.96 3.3 96 96 92 98 156 34.1 28.428 0.055 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1192 Contamination 8.0955 1150.5 >6 scans 51% TIC 6.0% 0.00859% 191 1.6 55 4507 0.0397% 55980 55980 258699 0-0 0.822 7.99 6.3 88 90 82 89 235 10.3 3.488 0.107 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN WTF2-N1026 Cadaverine NC 8.2007 1156.7 4.6 scans 80% 174 m/z 1.6% 0.0532% 201 0.7 97 16323 0.0725% 346770 271856 472435 0-8 13: 174 142 73 175 86 216 59 100 160 130 176 217 143 0.998 7.74 27.5 91 89 86 98 216 20.3 4.397 0.465 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1188 Contamination 8.3828 1167.5 5.4 scans 78% 281 m/z 2.4% 0.0382% 218 2.0 83 11142 0.0493% 249191 221441 321256 7-0 14: 281 147 282 369 73 283 370 249 207 284 371 148 251 266 0.987 8.41 -1.9 98 98 84 99 369 23.7 8.232 -0.032 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1184 Valine 9.2319 1217.6 6.7 scans 66% 144 m/z 3.8% 0.0116% 299 0.6 51 7050 0.0160% 75937 69865 104262 0-1 3: 144 218 145 0.943 9.19 2.6 94 95 84 95 218 16.9 11.154 0.044 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1180 Benzoic acid 9.7927 1250.4 3.2 scans 62% 179 m/z 6.6% 0.00922% 352 0.6 46 4119 60136 51241 14-1 5: 179 105 135 77 180 0.912 9.76 1.9 95 95 88 96 194 6.8 2.154 0.034 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1178 Ethanolamine 10.0116 1263.2 6.6 scans 83% TIC 1.5% 0.0524% 373 0.8 89 17333 0.437% 341708 310859 2847643 5-0 0.991 10.03 -1.3 96 94 93 97 262 9.4 1.124 -0.022 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN VEN77_S6-N1002 Glycerol 10.1073 1268.8 2.8 scans 86% TIC 0.096% 0.403% 382 1.4 360 283171 0.440% 2627388 2409955 2867192 3-1 0.923 10.09 0.8 100 99 97 100 299 210.2 34.069 0.013 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1176 Isoleucine 10.4640 1289.7 3.4 scans 25% 158 m/z 3.8% 0.00602% 416 0.6 42 7178 0.00876% 39248 39248 57083 0-0 4: 158 218 159 232 0.951 10.46 0.3 84 85 61 85 260 0.0 0.000 0.005 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1012 Proline 10.5545 1295.0 3.1 scans 94% 142 m/z (180) 0.10% 0.357% 425 0.5 295 256968 1.13% 2328237 2142792 7363471 4-0 20: 142 73 143 216 147 144 72 59 74 75 66 217 100 133 101 131 148 218 70 170 0.994 10.53 1.2 98 98 99 100 216 52.6 3.187 0.021 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6229 1299.0 2.6 scans 91% 147 m/z 0.28% 0.107% 431 1.1 212 96473 1.02% 703691 702790 6646673 0-1 20: 147 73 245 148 75 83 149 115 133 143 74 246 84 59 170 126 54 58 72 53 0.993 10.60 1.2 99 98 98 100 245 47.8 5.073 0.021 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1170 Glycine 10.6913 1303.1 >2 scans 30% TIC 5.3% 0.00187% 438 1.3 46 5095 0.475% 12245 12245 3095264 0-0 0.849 10.69 0.3 90 92 78 94 276 8.0 3.065 0.004 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7681 1307.7 2.8 scans 94% TIC 0.040% 0.913% 445 1.1 546 679432 5953517 5783076 1-1 0.972 10.76 0.6 100 98 98 100 251 121.8 4.985 0.010 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1168 Glyceric acid 11.0427 1324.2 2.4 scans 98% 73 m/z 0.10% 0.478% 471 1.0 444 261688 3115162 3029662 2-1 20: 73 147 189 292 133 103 205 293 117 102 148 190 75 74 307 294 59 149 101 131 1.000 11.05 -0.7 100 99 99 100 292 129.3 8.499 -0.011 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1018 Uracil 11.1606 1331.3 2.5 scans 53% 241 m/z 15% 0.00277% 482 1.3 33 1795 0.00317% 18104 18104 20657 0-0 4: 241 255 256 99 0.942 11.15 0.7 97 100 99 100 256 11.7 12.862 0.013 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1162 Fumaric acid 11.3784 1344.5 2.4 scans 95% 245 m/z 0.30% 0.116% 503 1.0 219 90522 756759 720708 2-2 20: 245 73 147 246 75 247 143 83 133 148 149 240 115 53 155 84 74 61 248 59 0.999 11.39 -0.8 99 98 98 99 245 118.8 29.574 -0.015 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4752 1350.3 3.8 scans 55% 57 m/z (204) 1.7% 0.0318% 512 0.9 86 15470 0.0368% 207295 192632 239802 1-2 11: 57 115 97 127 56 129 69 111 109 128 87 0.997 11.45 1.8 89 88 94 97 145 24.6 8.206 0.029 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN WTF2-N1024 Contamination 10.96min 11.5004 1351.8 3.0 scans 73% 84 m/z 0.41% 0.103% 515 1.1 179 66387 671804 655940 2-1 20: 84 133 161 162 119 92 118 82 65 51 78 85 63 134 91 130 64 120 104 105 0.973 10.96 32.8 89 89 95 99 161 43.1 5.831 0.544 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1020 Serine 11.5246 1353.3 2.6 scans 74% 204 m/z (84) 0.76% 0.0724% 517 0.9 160 36012 472348 442311 3-1 14: 204 73 218 205 100 219 206 278 306 220 114 203 279 101 0.981 11.51 0.7 97 98 97 99 306 16.4 1.058 0.012 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN BRA4_R~2-N1008 Thymine 11.6067 1358.2 3.4 scans 57% 255 m/z 6.5% 0.00430% 525 0.7 36 4205 28043 28043 1-0 3: 255 270 256 0.989 11.58 1.4 97 98 94 98 270 12.9 13.124 0.023 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1024 Threonine 11.9297 1377.6 2.6 scans 93% 73 m/z 0.79% 0.0722% 555 1.1 163 34323 470687 463649 5-0 20: 73 218 219 117 291 292 101 147 220 128 100 57 74 203 221 293 75 133 130 132 0.998 11.92 0.5 99 98 98 99 320 15.3 0.885 0.009 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1148 Glutamine?? 13.2934 1462.5 2.7 scans 75% 155 m/z 2.5% 0.0169% 685 0.9 79 10733 0.0228% 110258 103358 148573 0-3 6: 155 156 229 139 100 59 0.940 13.35 -3.4 82 79 86 92 257 5.1 0.412 -0.054 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1146 Malic acid 13.5448 1478.3 2.3 scans 99% 73 m/z 0.035% 1.22% 709 0.7 706 765884 7988734 7987097 1-0 20: 73 147 233 245 133 189 75 148 190 175 335 191 55 74 149 101 234 265 217 59 0.999 13.62 -4.5 100 99 98 99 350 16.1 0.052 -0.072 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1142 Erythritol/Threitol 13.7121 1488.9 2.8 scans 82% 217 m/z 2.2% 0.0253% 725 0.9 97 12260 0.708% 165072 165072 4613573 0-0 13: 217 147 205 103 117 204 206 191 307 189 293 218 148 0.916 13.89 -11.2 89 88 80 93 320 7.7 0.631 -0.178 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0194 1508.6 2.5 scans 26% 232 m/z (73) 1.0% 0.0269% 754 1.1 103 25482 175855 171774 0-1 10: 232 233 100 218 234 202 188 219 216 117 0.907 14.02 0.1 94 95 91 99 258 5.3 0.000 0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0309 1509.4 3.3 scans 84% TIC 0.32% 0.149% 755 1.1 208 84913 975676 941555 1-1 0.889 14.03 0.1 99 97 99 100 258 38.9 3.489 0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1140 Aspartic acid 14.0309 1509.4 3.3 scans 58% 73 m/z (156) 0.44% 0.105% 755 1.0 173 61147 689752 660639 1-1 20: 73 147 75 158 74 59 148 58 55 86 85 149 131 70 260 228 142 60 56 98 0.944 14.09 -3.7 91 92 90 95 349 6.7 0.151 -0.056 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0341 1509.6 2.9 scans 45% 156 m/z (73) 0.30% 0.0734% 755 1.0 153 89422 478932 464718 1-1 20: 156 157 258 230 158 231 59 259 148 140 58 55 86 85 112 121 131 260 141 66 0.957 14.11 -5.1 87 90 65 89 273 8.4 0.300 -0.076 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1032 GABA 14.1888 1519.9 2.6 scans 82% 174 m/z 1.6% 0.0275% 770 1.0 102 16564 179285 176932 0-1 13: 174 304 175 176 86 305 216 100 59 246 130 143 172 0.993 14.19 0.1 97 97 93 96 304 30.9 9.218 0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1134 GABA 14.1888 1519.9 3.0 scans 83% TIC 1.7% 0.0340% 770 1.2 103 15808 0.0874% 221630 191221 569529 5-0 0.988 14.24 -3.5 96 95 93 97 304 30.3 8.656 -0.053 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3634 1531.5 2.6 scans 52% 292 m/z 5.1% 0.0103% 787 1.0 62 5307 67489 64186 1-1 6: 292 220 293 205 221 294 0.943 14.69 -21.7 89 90 81 91 409 6.0 0.955 -0.329 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6107 1547.9 2.5 scans 96% 73 m/z 0.35% 0.136% 810 1.2 232 77388 891645 870365 0-2 20: 73 292 147 220 205 293 117 217 103 221 294 148 133 74 319 291 149 75 102 206 0.998 14.62 -0.7 100 99 98 99 409 15.3 0.432 -0.010 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7422 1556.6 2.8 scans 71% 174 m/z (267) 1.0% 0.0381% 823 0.9 113 25113 248431 243311 0-1 9: 174 175 86 176 250 100 130 117 144 0.981 14.16 38.3 89 93 91 99 250 21.2 3.502 0.577 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3799 1598.9 2.5 scans 74% 217 m/z 0.97% 0.0404% 883 1.2 134 28222 0.0564% 263341 263341 367522 0-0 12: 217 218 219 74 129 189 215 149 131 230 72 261 0.908 15.44 -4.1 90 89 88 93 393 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1118 Phenylalanine 15.6050 1614.4 2.8 scans 58% 218 m/z (267) 4.6% 0.0119% 905 1.0 63 5908 77942 77942 0-1 6: 218 192 219 100 266 220 0.919 15.66 -3.8 87 91 83 94 294 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1038 Xylose 15.8912 1634.3 >3 scans 77% TIC 2.7% 0.0165% 932 0.7 79 10055 0.189% 108144 108144 1231589 0-0 0.962 15.89 0.1 92 90 88 97 307 19.0 5.739 0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1040 Xylose 16.0059 1642.3 2.5 scans 92% 73 m/z 0.68% 0.0720% 943 1.0 169 40142 469306 457628 1-1 20: 73 103 217 307 147 308 189 160 277 133 218 205 309 74 204 104 75 89 105 191 0.998 16.00 0.2 98 97 98 99 307 44.0 6.806 0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1042 Ribose 16.1038 1649.1 2.8 scans 84% 73 m/z 1.4% 0.0362% 952 0.9 113 19519 0.0693% 235999 211458 451583 1-5 20: 73 103 307 217 147 277 308 189 160 218 205 309 133 117 104 89 74 204 72 105 0.986 16.10 0.1 96 94 94 99 307 32.2 8.045 0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6130 1684.4 2.8 scans 87% TIC 1.4% 0.0465% 1000 1.5 124 18706 0.0709% 303328 278777 462009 1-0 0.996 16.68 -4.4 99 98 96 98 497 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9266 1706.5 3.6 scans 75% TIC 2.2% 0.0243% 1030 2.1 101 12343 0.311% 158583 158583 2026584 0-0 0.978 16.99 -4.6 93 93 90 92 422 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9971 1711.7 3.9 scans 84% TIC 0.84% 0.0894% 1037 1.7 157 32374 0.334% 582700 582700 2176460 0-0 0.962 17.06 -4.8 94 94 92 94 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1096 Putrescine 17.1897 1725.7 2.7 scans 64% 174 m/z 0.99% 0.0254% 1055 1.1 95 27584 165894 158875 1-1 13: 174 175 172 214 176 86 200 100 130 361 173 142 99 0.991 17.25 -4.3 99 98 96 99 458 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1044 Putrescine 17.1897 1725.7 2.7 scans 77% 174 m/z (73) 0.99% 0.0308% 1055 1.1 104 27578 201285 192769 1-1 13: 174 175 172 214 176 86 200 100 130 361 173 142 99 0.997 17.19 0.1 94 95 96 99 376 7.5 0.525 0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3769 1739.4 2.9 scans 46% 333 m/z (345) 5.7% 0.00997% 1073 1.0 59 4795 0.0122% 64967 64967 79499 0-0 7: 333 292 103 293 307 217 334 0.928 17.44 -4.9 87 90 83 90 511 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5653 1753.2 2.8 scans 91% 217 m/z 0.21% 0.197% 1091 1.2 264 130239 0.379% 1284676 1161907 2469695 5-1 19: 217 73 218 147 219 450 74 75 129 191 215 230 232 148 189 103 149 244 220 0.997 17.63 -4.8 97 95 95 97 450 32.2 1.480 -0.067 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7000 1763.0 2.7 scans 69% 334 m/z (319) 0.76% 0.106% 1104 0.9 182 36061 692301 595122 2-12 15: 334 204 256 129 257 335 255 336 375 167 285 151 211 166 267 0.993 17.70 0.1 95 97 95 97 375 21.4 1.379 0.001 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1272 1794.2 3.9 scans 69% TIC 0.91% 0.0616% 1144 1.0 137 29857 0.166% 401653 390499 1081713 3-0 0.865 18.13 0.2 96 97 92 98 372 14.7 1.147 0.002 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1076 Pregnane?? 18.8132 1846.2 3.7 scans 97% 345 m/z 0.010% 6.94% 1210 0.3 1354 2632512 45226831 43795601 1-1 20: 345 73 255 346 147 347 334 204 256 191 435 372 419 133 257 239 148 348 74 75 0.998 18.86 -3.5 100 100 99 100 537 99.7 0.545 -0.045 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1072 Fructose 18.9952 1860.1 6.1 scans 97% 73 m/z 0.015% 10.2% 1227 0.8 1292 1723124 17.7% 66908608 65102125 115339324 1-2 20: 73 307 217 103 147 308 277 218 133 309 74 189 205 117 104 219 89 148 75 191 0.999 19.03 -2.9 100 98 99 100 364 149.1 1.336 -0.038 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1052 Fructose 19.1257 1870.1 5.6 scans 100% 350 m/z 0.019% 7.53% 1239 0.6 1172 1404800 16.4% 49119135 47861783 106868074 1-1 20: 350 334 390 229 337 302 330 311 280 158 268 358 351 391 275 246 289 247 468 223 1.000 19.10 1.7 100 99 100 100 364 137.0 1.371 0.022 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1056 Glucose 19.3540 1887.5 7.3 scans 78% 322 m/z 0.013% 10.8% 1261 0.3 1353 2013739 12.9% 70928532 68112509 84060863 1-0 20: 322 305 323 309 390 82 245 235 127 144 150 168 433 324 393 480 377 154 379 434 1.000 19.33 1.7 100 99 99 99 364 98.9 0.537 0.022 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1064 Mannose 19.3666 1888.5 7.2 scans 98% 269 m/z 0.011% 16.3% 1262 0.2 1539 2371777 106706894 106617436 1-0 19: 269 135 192 279 366 220 375 330 336 187 264 209 294 359 196 241 346 405 120 0.998 19.45 -6.7 100 99 99 100 319 608.3 15.677 -0.088 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1059 Glucose 19.5750 1904.6 3.0 scans 98% 319 m/z 0.019% 4.26% 1282 0.6 1177 1436556 27817501 27759167 1-0 20: 319 73 205 147 320 160 217 103 321 206 133 117 74 229 129 157 148 204 89 207 0.999 19.55 1.9 100 99 99 100 376 49.5 0.177 0.023 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7265 1916.8 3.1 scans 68% 73 m/z 1.8% 0.0235% 1296 1.4 101 14505 0.0875% 153264 153264 570180 0-0 17: 73 244 147 205 117 103 320 59 206 307 245 74 133 217 148 75 101 0.956 19.79 -5.1 87 87 85 87 434 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1056 Ascorbic acid 19.9127 1931.7 2.9 scans 63% 332 m/z 2.4% 0.0233% 1314 0.8 88 11374 152478 145332 1-1 6: 332 374 259 359 361 449 0.953 19.99 -6.0 90 90 86 91 449 8.6 0.947 -0.073 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2884 1961.9 2.7 scans 78% 204 m/z 1.6% 0.0355% 1350 1.2 112 16997 231521 205169 1-2 12: 204 191 147 205 217 206 218 192 74 189 435 193 0.960 20.41 -10.1 87 86 87 89 217 26.0 5.399 -0.126 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1052 Gluconic acid 2 20.5125 1979.9 2.9 scans 45% 292 m/z (204) 5.8% 0.0108% 1371 0.8 60 4709 0.0175% 70580 69827 114036 0-1 3: 292 333 293 0.938 20.60 -6.8 82 85 75 85 613 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1044 myo-Inositol 21.7057 2079.3 7.1 scans 30% 434 m/z (305) 0.021% 5.37% 1484 0.7 868 1283317 34992963 33608769 1-1 13: 434 394 292 130 510 208 406 380 176 511 333 236 167 0.938 21.77 -5.1 93 94 91 99 612 43.4 0.251 -0.061 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1040 myo-Inositol 21.7183 2080.4 6.7 scans 58% 305 m/z (434) 0.014% 9.88% 1486 0.3 1245 1936643 64387292 64379278 1-0 20: 305 73 217 318 147 191 306 319 265 204 218 307 432 133 320 367 129 192 148 291 0.839 21.78 -5.2 88 91 94 93 378 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.7183 2080.4 6.7 scans 97% 305 m/z 0.013% 16.3% 1486 0.3 1604 2091513 106668734 106655457 1-0 20: 305 73 217 318 147 191 306 319 265 204 218 307 432 133 320 367 129 192 148 291 0.997 21.75 -2.5 100 100 99 100 507 117.5 0.539 -0.031 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8656 2092.7 2.9 scans 94% TIC 0.14% 0.531% 1500 0.9 409 185822 3460494 3152418 2-3 1.000 21.93 -5.4 96 93 96 99 656 9.4 0.052 -0.064 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1918 2120.9 2.5 scans 91% 396 m/z 0.39% 0.186% 1531 1.0 265 68998 0.195% 1216515 1216515 1270687 0-0 20: 396 73 219 397 381 398 191 220 307 382 74 249 293 75 117 383 308 192 221 89 0.999 22.19 0.4 93 89 87 100 396 98.6 13.802 0.006 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6705 2162.8 3.2 scans 90% 204 m/z 1.1% 0.0428% 1576 1.3 115 24069 0.0712% 278973 264023 463964 1-0 20: 204 73 205 217 147 206 117 361 145 131 191 74 103 218 362 133 75 305 219 149 0.996 22.71 -3.7 97 96 96 98 518 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1257 2294.0 2.8 scans 80% 204 m/z 3.9% 0.0126% 1714 1.2 64 6891 0.0205% 82326 69927 133585 2-2 9: 204 73 217 337 205 147 206 129 103 0.986 24.01 10.5 89 89 88 91 490 0.0 0.000 0.116 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6560 2344.2 3.6 scans 79% 73 m/z 4.8% 0.0152% 1765 1.0 64 5620 0.0409% 99468 97890 266519 0-2 11: 73 331 191 262 217 421 147 307 319 205 103 0.889 24.65 0.6 84 83 79 88 466 3.8 0.351 0.006 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5310 2528.7 2.8 scans 65% 512 m/z 3.1% 0.0249% 1943 1.0 95 8687 162898 161139 0-1 17: 512 455 247 513 456 57 514 483 457 349 207 248 497 263 484 409 423 0.969 26.57 -4.4 95 95 83 95 512 36.8 14.865 -0.042 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN WTF2-N1032 Sucrose 26.6468 2540.7 2.8 scans 81% 361 m/z 8.5% 0.00877% 1954 1.1 56 3225 0.0470% 57206 51007 306268 1-1 9: 361 73 437 217 362 273 129 147 438 0.982 26.87 -23.0 85 86 82 87 451 6.1 1.196 -0.223 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1020 Sucrose 27.4033 2619.5 10.7 scans 9.6% 437 m/z (361) 0.049% 2.13% 2026 1.8 464 554117 13908129 13345255 1-1 19: 437 438 451 440 206 260 334 308 261 304 442 267 375 278 373 211 408 97 172 0.834 27.46 -6.1 94 97 94 98 437 294.0 40.342 -0.058 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1010 Sucrose 27.4117 2620.4 10.7 scans 94% 361 m/z 0.0086% 21.2% 2027 1.4 1464 3167654 138754152 135181202 1-1 20: 361 362 319 439 364 452 320 273 259 365 450 207 150 228 435 233 173 193 154 167 0.997 27.58 -17.8 100 99 98 99 437 286.8 3.863 -0.167 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1014 Sucrose 27.4160 2620.8 10.8 scans 92% TIC 0.0085% 19.4% 2027 1.1 1449 3211339 21.5% 126925762 122753862 140101439 1-0 1.000 27.49 -7.9 100 100 99 100 437 292.2 4.102 -0.074 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1018 Sucrose 27.4181 2621.0 10.7 scans 59% 271 m/z (169) 0.0085% 12.7% 2027 1.1 1164 3222720 14.2% 83079086 80404730 92532113 1-0 20: 271 218 272 189 230 205 231 229 149 291 333 306 175 177 158 171 232 199 303 289 0.892 27.47 -5.5 91 93 70 92 437 290.3 6.265 -0.052 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1008 Sucrose 27.4644 2626.0 10.4 scans 100% 73 m/z 0.0096% 20.2% 2032 0.2 1483 2835599 131744284 131151331 1-0 20: 73 74 75 59 69 435 81 55 105 454 144 54 67 85 99 441 464 88 335 349 1.000 27.59 -13.5 100 99 97 99 437 259.6 3.084 -0.127 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1016 Sucrose 27.4728 2626.9 10.7 scans 43% 217 m/z (284) 0.027% 1.89% 2033 2.1 967 1009056 9.54% 12321342 12321342 62165941 0-0 20: 217 147 271 243 169 103 218 129 191 319 219 189 204 272 205 230 331 133 117 229 0.958 27.48 -0.4 83 88 85 88 437 15.9 0.000 -0.004 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN LQC1-N1006 Trehalose 28.3303 2719.4 5.0 scans 85% 361 m/z 4.6% 0.0320% 2114 1.2 76 5935 0.0336% 208646 194924 218949 6-2 13: 361 73 204 217 362 103 147 319 219 117 189 271 191 0.993 28.47 -15.5 81 77 68 91 565 0.0 0.000 -0.138 G:\GCMS data\Nicotiana Panel polar\BRA4_REP6.FIN GUA35_L1-N1020 Galactinol 30.6704 2987.2 4.4 scans 94% 204 m/z 2.2% 0.0333% 2337 1.9 83 12439 0.0341% 217068 202024 222207 8-6 19: 204 73 217 205 191 147 305 206 129 361 218 318 230 133 433 265 319 149 306 0.993 30.55 14.8 83 82 89 83 641 0.0 0.000 0.125 G:\GCMS data\Nicotiana Panel polar\ExBlk1.FIN EXBLK5S-N1006 Contamination 6.5816 1060.7 2.6 scans 68% TIC 1.8% 0.318% 47 2.5 59 8141 1.48% 55312 55312 256695 0-0 0.974 6.63 -2.6 95 95 88 95 295 18.9 10.208 -0.043 G:\GCMS data\Nicotiana Panel polar\ExBlk1.FIN LQC1-N1192 Contamination 7.9273 1140.5 2.4 scans 86% 147 m/z 1.8% 0.556% 175 0.9 80 8087 0.700% 96535 94919 121410 4-0 19: 147 73 133 148 235 59 220 72 103 100 160 146 74 86 89 174 134 149 131 0.992 7.99 -3.7 96 95 94 97 235 15.3 3.611 -0.062 G:\GCMS data\Nicotiana Panel polar\ExBlk1.FIN LQC1-N1190 Contamination 8.3797 1167.3 3.7 scans 79% 73 m/z 2.3% 0.550% 218 1.7 59 6451 95430 79003 1-12 11: 73 140 211 198 77 70 126 78 186 170 74 0.985 8.48 -6.2 82 79 83 88 309 4.3 0.529 -0.104 G:\GCMS data\Nicotiana Panel polar\ExBlk1.FIN LQC1-N1188 Contamination 9.0079 1204.5 3.0 scans 53% 281 m/z 8.1% 0.0909% 278 1.4 27 1847 0.120% 15778 14676 20813 1-2 5: 281 369 282 147 283 0.868 8.41 35.1 89 94 83 94 369 9.2 11.706 0.593 G:\GCMS data\Nicotiana Panel polar\ExBlk1.FIN LQC1-N1180 Benzoic acid 9.7066 1245.4 2.6 scans 96% 179 m/z 0.21% 4.46% 344 1.4 200 68930 774914 701617 2-6 20: 179 105 135 77 180 51 136 194 106 181 76 78 74 73 137 75 59 89 195 193 0.999 9.76 -3.1 100 99 98 100 194 28.5 2.037 -0.052 G:\GCMS data\Nicotiana Panel polar\ExBlk1.FIN VEN77_S6-N1002 Glycerol 10.0380 1264.8 >3 scans 82% TIC 2.9% 0.423% 376 1.3 64 5084 2.79% 73473 68247 483905 4-0 0.990 10.09 -3.2 82 77 50 92 299 27.9 19.110 -0.056 G:\GCMS data\Nicotiana Panel polar\ExBlk1.FIN LACTIC~1-N1034 Glycerol 10.0749 1266.9 2.8 scans 92% TIC 1.5% 0.807% 379 1.1 87 9509 1.18% 140090 130779 204662 0-5 0.995 10.11 -2.1 99 98 97 98 293 5.6 0.413 -0.035 G:\GCMS data\Nicotiana Panel polar\ExBlk1.FIN A-AMYRIN-N1012 Contamination?? 10.2116 1274.9 2.6 scans 95% 73 m/z 0.36% 1.90% 392 1.2 136 41086 330323 309506 1-3 20: 73 198 77 211 74 70 199 239 72 212 75 289 143 56 92 142 63 100 78 189 0.999 10.24 -1.7 99 98 97 98 381 15.2 1.251 -0.028 G:\GCMS data\Nicotiana Panel polar\ExBlk1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7335 1305.6 2.9 scans 96% 147 m/z 0.013% 55.2% 442 0.5 671 1087703 9587488 9266011 1-1 20: 147 73 148 251 76 149 58 132 74 133 252 177 75 176 150 59 131 118 57 72 0.993 10.76 -1.5 99 98 96 99 251 160.3 5.727 -0.024 G:\GCMS data\Nicotiana Panel polar\ExBlk1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4416 1348.3 2.7 scans 92% 57 m/z 1.2% 0.659% 509 1.1 80 11980 114306 109405 1-1 18: 57 97 145 115 127 55 59 69 56 129 111 109 128 71 83 58 72 87 0.992 11.45 -0.2 98 98 97 99 145 22.8 8.203 -0.004 G:\GCMS data\Nicotiana Panel polar\ExBlk1.FIN A-AMYRIN-N1010 Contamination?? 16.2733 1660.9 3.4 scans 89% 290 m/z 4.5% 0.152% 968 1.8 32 3264 0.169% 26487 23767 29312 4-0 4: 290 73 291 292 0.988 16.28 -0.2 95 95 79 95 392 5.5 2.960 -0.003 G:\GCMS data\Nicotiana Panel polar\ExBlk1.FIN WTF2-N1018 Fructose 18.9691 1858.1 3.3 scans 96% 73 m/z 1.3% 1.05% 1224 2.3 85 11222 183848 183510 0-1 19: 73 103 307 217 147 308 218 309 74 133 277 117 364 205 89 191 75 104 204 0.997 18.52 33.8 91 93 95 95 364 9.5 1.228 0.444 G:\GCMS data\Nicotiana Panel polar\ExBlk1.FIN BRA4_R~2-N1004 Galactose 19.3047 1883.7 3.6 scans 93% 73 m/z 2.6% 0.561% 1256 2.1 60 5587 97464 94383 1-2 14: 73 319 205 147 160 320 217 103 133 321 75 189 117 74 0.985 19.36 -4.4 91 90 82 91 364 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\ExBlk1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5775 2533.5 3.5 scans 91% 512 m/z 11% 0.107% 1947 1.6 28 1282 18609 18609 0-1 6: 512 73 455 513 247 456 0.972 26.57 0.4 80 81 56 81 512 14.0 25.387 0.005 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN EXBLK5S-N1006 Contamination 6.5836 1060.9 2.3 scans 86% 207 m/z 0.25% 2.50% 47 2.1 167 58704 4.07% 530406 422192 860796 17-4 16: 207 73 295 208 209 296 191 279 193 74 297 189 192 210 177 247 0.989 6.63 -2.4 100 99 97 99 295 49.0 8.636 -0.041 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN A-KETO~2-N1006 Contamination?? 7.8442 1135.6 3.7 scans 53% TIC 6.0% 0.0822% 167 1.9 37 2493 0.562% 17385 17385 118862 0-0 0.914 7.96 -6.6 90 88 86 95 156 20.1 29.758 -0.113 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN LQC1-N1192 Contamination 7.9273 1140.5 2.4 scans 83% 73 m/z 1.6% 0.516% 175 0.7 86 9171 0.662% 109305 106861 140012 2-0 20: 73 147 133 235 220 148 146 59 72 89 86 100 103 74 160 149 152 134 131 70 0.992 7.99 -3.7 98 98 96 98 235 17.1 3.936 -0.062 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN LQC1-N1188 Contamination 9.0079 1204.5 2.9 scans 82% 281 m/z 1.8% 0.531% 278 1.6 70 8094 112448 98426 1-10 14: 281 282 147 369 283 265 249 370 371 148 284 191 207 149 0.993 8.41 35.1 94 97 84 98 369 20.0 8.087 0.593 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN LQC1-N1180 Benzoic acid 9.7013 1245.1 3.1 scans 82% TIC 1.7% 0.516% 344 0.9 69 8771 0.579% 109255 91022 122457 4-7 0.985 9.76 -3.4 98 98 94 98 194 10.0 2.100 -0.058 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN VEN77_S6-N1002 Glycerol 10.0338 1264.5 2.5 scans 89% TIC 0.76% 0.844% 375 1.3 109 19585 3.08% 178561 178561 651413 0-0 0.997 10.09 -3.5 92 89 73 97 299 56.4 26.944 -0.060 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN LACTIC~1-N1034 Glycerol 10.0737 1266.9 2.7 scans 92% TIC 1.0% 0.941% 379 1.1 109 13969 3.21% 199084 187141 678908 0-6 0.999 10.11 -2.1 98 97 96 99 293 7.7 0.496 -0.036 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN A-AMYRIN-N1012 Contamination?? 10.2105 1274.9 2.5 scans 93% 73 m/z 0.37% 1.54% 392 1.1 143 40485 326378 310182 1-3 20: 73 198 77 211 70 199 74 239 289 72 212 200 142 143 63 100 170 75 92 76 0.998 10.24 -1.7 99 98 98 98 381 15.5 1.187 -0.029 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN TAB_REP6-N1014 Maleic acid 10.5662 1295.7 2.5 scans 93% 147 m/z 0.33% 1.59% 426 1.0 142 44133 337518 314557 7-4 20: 147 73 245 148 75 83 149 133 143 74 246 115 59 126 84 113 170 66 242 61 0.991 10.60 -2.1 95 94 97 97 245 33.8 5.646 -0.036 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7240 1305.1 2.9 scans 95% 147 m/z 0.015% 41.7% 441 0.7 656 948716 8823550 8265154 1-2 20: 147 73 251 76 148 149 58 132 74 133 252 177 176 150 59 75 131 118 72 62 0.992 10.76 -2.0 98 96 95 99 251 151.5 5.350 -0.034 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0523 1324.8 2.2 scans 68% 184 m/z 8.9% 0.0993% 472 1.2 38 1671 21023 21023 0-0 4: 184 134 285 174 0.937 11.06 -0.7 85 85 72 90 285 12.0 9.737 -0.011 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN TAB_REP6-N1018 Uracil 11.1154 1328.6 2.5 scans 63% 241 m/z 8.6% 0.0829% 478 1.2 33 1742 17548 17548 0-0 5: 241 99 256 255 242 0.922 11.15 -2.0 92 92 92 95 256 11.1 11.677 -0.033 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN LQC1-N1162 Fumaric acid 11.3385 1342.1 2.4 scans 95% 245 m/z 0.38% 1.47% 499 1.1 142 38968 311954 302522 2-2 20: 245 73 147 246 75 143 247 83 148 133 115 149 240 74 53 155 84 248 127 61 0.999 11.39 -3.2 100 99 98 99 245 79.6 31.326 -0.054 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4406 1348.2 2.6 scans 90% 57 m/z 0.88% 0.740% 509 1.1 96 17005 156629 146043 1-2 20: 57 97 115 145 69 55 127 56 59 129 111 109 128 58 72 98 83 71 87 67 0.988 11.45 -0.3 100 99 99 99 145 26.8 7.790 -0.005 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN LQC1-N1138 Pyroglutamic acid 14.0163 1508.4 3.1 scans 92% 156 m/z 1.1% 0.541% 754 1.1 77 13097 114621 111515 0-6 16: 156 73 230 147 157 232 258 74 72 59 133 148 100 75 231 58 0.996 14.11 -6.3 91 87 89 96 273 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 15.2306 1589.0 3.0 scans 88% 342 m/z 2.5% 0.316% 869 1.4 59 5976 66863 66144 1-1 10: 342 239 73 343 344 254 240 327 211 241 0.993 14.37 56.8 81 89 79 89 342 31.2 28.139 0.857 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN A-AMYRIN-N1010 Contamination?? 16.2544 1659.5 2.6 scans 83% 290 m/z 2.8% 0.154% 966 1.6 41 5300 32742 32742 0-0 5: 290 291 292 392 158 0.981 16.28 -1.6 97 97 84 97 392 7.6 3.333 -0.022 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN LQC1-N1076 Pregnane?? 18.8175 1846.6 2.6 scans 88% 345 m/z 3.9% 0.174% 1210 1.0 47 3777 0.198% 36945 34265 41877 2-1 7: 345 73 255 346 147 347 191 0.984 18.86 -3.1 87 87 75 87 537 0.0 0.000 -0.040 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2077 2122.3 3.5 scans 94% 396 m/z 1.3% 0.991% 1532 1.8 93 11079 209610 193709 1-4 20: 396 219 73 397 381 398 220 307 233 382 293 74 221 75 383 147 117 115 308 399 0.999 22.19 1.8 95 95 86 95 396 42.4 20.828 0.022 G:\GCMS data\Nicotiana Panel polar\ExBlk2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5638 2532.1 3.4 scans 90% 512 m/z 6.0% 0.245% 1946 1.5 47 2495 51875 50572 0-1 9: 512 73 455 513 247 456 483 514 57 0.986 26.57 -1.0 89 89 70 89 512 19.2 16.742 -0.009 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN EXBLK5S-N1006 Contamination 6.5921 1061.4 2.6 scans 77% TIC 0.47% 0.892% 48 1.9 123 34868 4.92% 257433 232732 1419556 2-1 0.979 6.63 -1.9 99 98 95 98 295 38.7 9.900 -0.033 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN A-KETO~2-N1006 Contamination?? 7.8653 1136.8 2.6 scans 51% 156 m/z 6.6% 0.0840% 169 1.2 36 2506 0.140% 24243 24243 40394 0-0 2: 156 55 0.951 7.96 -5.4 95 96 89 95 156 19.6 29.077 -0.092 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN LQC1-N1192 Contamination 7.9505 1141.9 2.6 scans 80% 147 m/z 1.9% 0.372% 177 1.1 82 8571 0.512% 107514 103974 147726 2-0 19: 147 73 133 220 235 59 148 146 152 72 160 103 86 134 100 174 74 149 131 0.987 7.99 -2.3 98 98 96 98 235 16.1 3.814 -0.039 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN LQC1-N1190 Contamination 8.3935 1168.1 3.3 scans 75% 73 m/z 1.7% 0.412% 219 1.9 70 9330 0.598% 119126 104108 172540 14-3 16: 73 140 211 198 77 70 69 126 186 74 309 215 170 113 199 255 0.990 8.48 -5.4 92 92 88 93 309 7.9 1.267 -0.091 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN LQC1-N1188 Contamination 9.0122 1204.7 3.0 scans 79% 281 m/z 2.1% 0.375% 278 1.8 68 7874 108302 98006 1-8 10: 281 147 369 282 283 265 370 249 191 371 0.995 8.41 35.3 94 97 83 99 369 19.8 8.589 0.597 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN LQC1-N1180 Benzoic acid 9.7140 1245.8 3.2 scans 74% TIC 2.4% 0.248% 345 0.8 57 6703 0.312% 71653 62788 90021 4-3 0.978 9.76 -2.7 97 97 91 97 194 9.2 2.591 -0.045 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN VEN77_S6-N1002 Glycerol 10.0454 1265.2 2.4 scans 93% TIC 0.11% 4.48% 376 2.1 249 145036 1292767 1282506 0-3 0.995 10.09 -2.8 99 98 94 100 299 148.8 35.741 -0.049 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN LACTIC~1-N1034 Glycerol 10.0812 1267.3 5.8 scans 72% 205 m/z 1.1% 0.872% 380 1.3 110 14394 1.41% 251654 232316 406824 0-4 20: 205 147 117 73 218 103 206 133 148 204 129 175 149 101 119 104 118 203 89 134 0.999 10.11 -1.7 96 95 94 96 293 8.1 0.537 -0.029 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN A-AMYRIN-N1012 Contamination?? 10.2190 1275.4 2.5 scans 93% 73 m/z 0.41% 1.11% 393 1.0 136 40062 321803 306539 1-1 20: 73 198 211 77 199 70 74 381 239 289 170 143 212 72 200 142 92 104 100 75 0.995 10.24 -1.2 99 98 97 98 381 15.6 1.311 -0.021 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN LQC1-N1174 Proline 10.4968 1291.6 2.6 scans 62% 142 m/z (180) 2.7% 0.125% 419 1.2 42 6058 0.143% 36303 31216 41259 5-0 3: 142 143 216 0.956 10.55 -2.8 92 94 89 94 142 30.4 52.850 -0.048 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN TAB_REP6-N1014 Maleic acid 10.5726 1296.1 2.6 scans 90% 147 m/z 0.52% 0.779% 426 1.2 114 31909 31.8% 224771 220381 9175181 2-4 20: 147 73 245 148 149 75 83 74 133 115 246 170 143 84 126 247 72 59 242 157 0.992 10.60 -1.7 96 95 96 97 245 27.0 5.650 -0.029 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7346 1305.7 3.0 scans 94% 147 m/z 0.012% 41.3% 442 0.6 733 1297757 11926366 10821937 2-2 20: 147 73 251 148 76 149 58 132 133 74 252 177 176 150 59 131 118 75 72 253 0.992 10.76 -1.4 98 97 96 99 251 176.7 5.840 -0.023 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0618 1325.4 2.5 scans 66% 184 m/z 6.9% 0.100% 473 0.9 42 2378 29122 29122 0-0 5: 184 134 285 174 86 0.957 11.06 -0.1 90 90 78 93 285 13.7 10.479 -0.001 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN TAB_REP6-N1018 Uracil 11.1208 1328.9 2.6 scans 74% 241 m/z 4.7% 0.151% 478 1.3 48 3489 43577 41463 1-2 10: 241 256 255 99 242 113 257 100 183 243 0.978 11.15 -1.7 94 92 82 99 256 15.8 10.832 -0.027 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN LQC1-N1162 Fumaric acid 11.3438 1342.4 2.6 scans 92% 245 m/z 0.46% 1.08% 500 1.1 132 35444 313645 291874 3-1 20: 245 73 147 246 75 143 247 83 240 148 133 74 155 53 84 59 157 127 85 61 0.997 11.39 -2.9 98 97 96 97 245 73.6 31.190 -0.049 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4438 1348.4 2.6 scans 91% 57 m/z 0.80% 0.701% 509 1.1 106 20529 202290 194770 1-1 20: 57 115 145 97 69 55 129 56 127 59 109 128 111 71 72 83 58 146 87 113 0.997 11.45 -0.1 98 96 98 99 145 31.2 8.616 -0.002 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN BRA4_R~2-N1008 Thymine 11.5837 1356.8 2.6 scans 37% 255 m/z 19% 0.0157% 522 0.9 16 832 4545 4545 0-0 1: 255 1.000 11.58 0.0 90 94 89 94 270 5.7 12.352 -0.000 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN LQC1-N1146 Malic acid 13.5177 1476.6 2.3 scans 85% TIC 3.1% 0.155% 706 1.2 54 5339 44903 44440 2-0 1.000 13.62 -6.2 89 89 86 89 350 0.0 0.000 -0.099 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN LQC1-N1138 Pyroglutamic acid 14.0185 1508.6 2.9 scans 93% 156 m/z 0.46% 1.06% 754 1.1 125 36115 308163 288588 1-2 20: 156 73 147 258 230 157 232 158 74 75 59 133 259 231 140 100 148 72 233 55 0.997 14.11 -6.1 92 89 91 98 273 5.0 0.157 -0.091 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3258 1529.0 2.7 scans 50% 239 m/z 7.4% 0.0748% 783 1.0 35 2226 21603 21603 0-0 5: 239 342 263 240 343 0.913 14.37 -3.2 86 89 75 89 342 13.3 14.632 -0.048 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN A-AMYRIN-N1010 Contamination?? 16.2460 1659.0 2.8 scans 83% 290 m/z 2.4% 0.166% 965 1.9 46 6796 47962 47962 1-0 5: 290 291 292 158 392 0.984 16.28 -2.1 96 96 85 96 392 7.3 2.601 -0.030 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5918 1755.1 2.7 scans 78% 217 m/z 4.4% 0.0965% 1093 1.2 39 3717 0.170% 27846 27786 49050 1-0 4: 217 218 450 147 0.982 17.63 -2.9 82 82 75 81 450 7.6 3.760 -0.040 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7128 1763.9 2.6 scans 86% 204 m/z 4.5% 0.182% 1105 1.0 55 3646 52538 52538 0-0 10: 204 334 129 256 217 257 335 375 133 255 0.991 17.70 1.0 87 87 77 88 375 7.6 1.923 0.014 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN LQC1-N1076 Pregnane?? 18.7987 1845.1 2.5 scans 91% 345 m/z 2.0% 0.295% 1208 1.0 71 8104 0.341% 85265 79385 98388 1-1 13: 345 73 255 346 147 347 191 334 133 257 419 372 74 0.996 18.86 -4.6 90 90 82 90 537 5.4 0.586 -0.059 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN BRA4_R~2-N1004 Galactose 19.3005 1883.4 2.7 scans 69% 319 m/z 12% 0.0542% 1256 1.0 30 1300 15653 15653 0-0 3: 319 205 160 0.991 19.36 -4.7 82 84 71 84 364 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN INOSIT~1-N1024 myo-Inositol 21.7111 2079.8 3.4 scans 87% 305 m/z 7.4% 0.168% 1485 1.3 46 2235 0.172% 48659 47553 49627 0-3 11: 305 217 73 318 147 191 265 306 204 319 432 0.991 21.75 -3.1 86 87 81 87 507 0.0 0.000 -0.038 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1972 2121.4 3.3 scans 95% 396 m/z 0.57% 1.87% 1531 1.7 148 28839 540285 497470 1-3 20: 396 219 73 397 381 398 220 191 307 249 382 293 175 74 75 221 308 399 233 147 0.997 22.19 0.9 96 95 90 96 396 66.4 19.997 0.011 G:\GCMS data\Nicotiana Panel polar\ExBlk3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5628 2532.0 3.1 scans 92% 512 m/z 4.1% 0.278% 1946 1.3 61 4026 80264 80141 0-1 17: 512 455 247 456 513 514 248 483 57 457 349 219 263 74 497 423 484 0.980 26.57 -1.1 92 92 74 92 512 24.8 16.498 -0.010 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN EXBLK5S-N1006 Contamination 6.6214 1063.1 2.2 scans 78% 207 m/z 0.47% 1.13% 51 1.2 140 40359 3.10% 339847 261498 929845 12-6 18: 207 73 295 208 191 209 296 297 279 74 193 189 192 177 263 210 247 265 0.992 6.63 -0.2 100 99 97 99 295 43.6 9.672 -0.004 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN BRA4_R~4-N1014 Lactic acid 6.7971 1073.5 >4 scans 50% 117 m/z 2.8% 0.351% 68 0.8 67 6640 1.60% 105499 103924 479920 0-2 8: 117 147 73 118 191 190 219 88 0.957 6.82 -1.4 90 87 86 98 295 2.7 0.000 -0.024 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN A-KETO~2-N1006 Contamination?? 7.8988 1138.8 2.6 scans 49% 156 m/z 5.7% 0.0946% 172 1.1 41 3314 0.145% 28394 25666 43493 0-1 3: 156 55 157 0.967 7.96 -3.4 95 96 90 96 156 23.2 31.571 -0.058 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN LQC1-N1192 Contamination 7.9830 1143.8 2.5 scans 77% 147 m/z 2.4% 0.315% 180 1.1 79 7783 0.492% 94515 92192 147575 2-0 17: 147 73 133 235 220 148 103 86 59 72 160 89 100 149 131 74 167 0.965 7.99 -0.4 96 96 93 97 235 16.2 4.181 -0.006 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN LQC1-N1190 Contamination 8.4144 1169.4 3.1 scans 78% 73 m/z 1.6% 0.464% 221 1.8 82 11327 0.739% 139414 123075 221663 5-5 20: 73 211 140 198 77 186 70 126 69 74 113 92 170 309 212 63 215 72 142 255 0.985 8.48 -4.1 93 92 89 93 309 8.0 0.957 -0.070 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN LQC1-N1188 Contamination 9.0225 1205.4 3.2 scans 79% 281 m/z 1.8% 0.516% 279 1.3 81 9998 154948 127889 3-5 13: 281 73 147 282 369 371 283 249 148 191 74 284 266 0.988 8.41 36.0 93 95 80 99 369 21.8 7.258 0.608 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN LQC1-N1180 Benzoic acid 9.7328 1246.9 2.8 scans 79% 179 m/z (217) 2.7% 0.265% 347 1.3 63 6943 79695 72600 7-4 8: 179 105 135 77 180 136 194 181 0.986 9.76 -1.6 95 97 92 98 194 8.9 2.018 -0.026 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN VEN77_S6-N1002 Glycerol 10.0590 1266.0 2.6 scans 87% TIC 0.31% 1.85% 378 1.5 171 59485 2.34% 555417 517796 701883 1-0 0.998 10.09 -2.0 98 96 89 99 299 98.3 33.111 -0.035 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN LACTIC~1-N1034 Glycerol 10.0937 1268.0 4.9 scans 76% 205 m/z 1.4% 0.755% 381 1.1 109 12883 1.03% 226586 214051 308949 0-2 19: 205 147 73 117 103 218 206 133 148 204 175 219 101 217 118 104 131 134 119 0.992 10.11 -1.0 96 95 95 97 293 7.5 0.471 -0.016 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN A-AMYRIN-N1012 Contamination?? 10.2284 1275.9 2.6 scans 92% 73 m/z 0.47% 1.06% 394 1.0 138 40383 319561 309689 2-2 20: 73 198 77 211 199 74 70 239 381 212 72 75 200 170 142 92 143 63 59 261 0.989 10.24 -0.7 99 98 97 99 381 15.2 1.211 -0.012 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN TAB_REP6-N1014 Maleic acid 10.5872 1296.9 2.5 scans 96% TIC 0.15% 2.98% 428 0.9 233 119843 41.3% 894219 859448 12387941 6-3 0.999 10.60 -0.9 99 98 99 98 245 55.1 5.587 -0.015 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN LQC1-N1170 Glycine 10.6471 1300.4 2.7 scans 29% 174 m/z 10% 0.0307% 434 1.0 23 1816 9236 9236 1-0 3: 174 248 175 0.975 10.69 -2.4 80 82 57 82 276 4.2 3.398 -0.040 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7439 1306.3 3.2 scans 93% TIC 0.017% 36.6% 443 0.8 696 1073143 11002586 10136270 2-2 0.986 10.76 -0.8 97 94 95 100 251 157.2 5.128 -0.014 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN LQC1-N1168 Glyceric acid 11.0059 1322.0 2.4 scans 55% 292 m/z 8.1% 0.0683% 468 0.8 37 2343 20492 20492 0-0 3: 292 189 133 0.898 11.05 -2.9 84 84 76 88 292 12.1 10.773 -0.048 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0733 1326.1 2.7 scans 68% TIC 8.1% 0.107% 474 0.9 50 2342 0.507% 32171 32171 152075 0-0 0.934 11.06 0.6 82 79 81 91 285 12.8 6.568 0.010 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN TAB_REP6-N1018 Uracil 11.1290 1329.4 2.5 scans 72% 241 m/z 4.9% 0.138% 479 1.1 50 3816 41435 40795 0-3 8: 241 255 256 99 242 113 257 100 0.982 11.15 -1.2 94 92 83 98 256 16.0 10.084 -0.019 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN LQC1-N1162 Fumaric acid 11.3542 1343.0 2.5 scans 97% 245 m/z 0.13% 4.00% 501 1.0 271 140251 1200722 1177471 1-1 20: 245 147 73 246 75 143 247 83 133 148 115 149 74 84 155 61 53 59 58 157 0.999 11.39 -2.3 100 99 99 100 245 150.9 31.041 -0.039 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4521 1348.9 2.8 scans 92% TIC 0.79% 0.761% 510 1.4 115 23856 4.65% 228533 217717 1394768 2-0 0.994 11.45 0.4 99 97 99 100 145 32.0 7.818 0.006 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN BRA4_R~2-N1008 Thymine 11.5878 1357.1 2.6 scans 39% 255 m/z 14% 0.0225% 523 1.1 20 1304 6774 6774 0-0 1: 255 0.983 11.58 0.3 90 93 86 93 270 6.8 11.052 0.004 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN TAB_REP6-N1026 Malic acid 13.5175 1476.6 2.4 scans 90% TIC 1.3% 0.414% 706 1.2 90 13665 0.421% 124344 120535 126279 1-2 0.995 13.53 -1.0 96 95 92 95 335 12.1 1.810 -0.015 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN LQC1-N1138 Pyroglutamic acid 14.0205 1508.7 2.9 scans 93% 156 m/z 0.56% 0.933% 754 1.1 124 33505 279921 264469 1-3 19: 156 73 147 157 230 258 232 158 74 72 149 259 59 148 133 231 260 100 140 0.999 14.11 -6.0 94 91 93 98 273 3.8 0.093 -0.090 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3246 1528.9 2.5 scans 58% 239 m/z 5.6% 0.118% 783 1.2 47 3367 35555 35555 0-0 7: 239 342 343 240 133 263 344 0.835 14.37 -3.3 92 92 81 92 342 19.2 16.744 -0.049 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN A-AMYRIN-N1010 Contamination?? 16.2501 1659.2 2.6 scans 85% 290 m/z 2.6% 0.160% 966 1.5 50 7287 48203 48203 0-1 6: 290 291 158 292 392 144 0.989 16.28 -1.9 96 96 86 96 392 8.4 2.795 -0.026 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7221 1764.6 2.9 scans 73% 73 m/z 9.7% 0.0864% 1106 0.9 38 1940 0.186% 25943 23539 55791 4-3 8: 73 256 204 129 217 334 183 257 0.960 17.70 1.7 82 83 67 83 375 4.8 1.562 0.023 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN LQC1-N1076 Pregnane?? 18.8174 1846.6 2.8 scans 87% 345 m/z 3.5% 0.190% 1210 1.1 57 5327 0.210% 57179 54132 62990 2-1 11: 345 73 346 255 147 347 191 334 257 133 74 0.990 18.86 -3.1 88 88 77 88 537 4.7 0.661 -0.041 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN BRA4_R~2-N1004 Galactose 19.3172 1884.7 3.4 scans 83% 319 m/z 7.5% 0.125% 1257 1.3 43 2522 0.190% 37737 37430 56991 0-1 9: 319 73 205 320 160 217 204 321 103 0.984 19.36 -3.4 84 84 74 86 364 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2150 2123.0 4.1 scans 95% 219 m/z 1.6% 0.874% 1533 2.4 94 11346 262250 259019 0-5 18: 219 73 397 381 220 191 307 382 293 249 399 74 131 221 308 233 192 175 0.995 22.19 2.5 95 94 84 95 396 42.9 20.858 0.029 G:\GCMS data\Nicotiana Panel polar\ExBlk4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5848 2534.3 3.9 scans 87% 512 m/z 8.9% 0.154% 1948 1.8 43 2123 46479 44520 1-3 9: 512 455 73 513 247 456 483 514 57 0.983 26.57 1.2 87 88 67 88 512 18.6 19.058 0.012 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN EXBLK5S-N1006 Contamination 6.3520 1047.1 4.1 scans 67% 207 m/z 1.0% 1.16% 25 2.1 92 16660 293442 196852 11-4 15: 207 73 295 208 209 297 191 296 193 279 192 133 177 189 210 0.965 6.63 -16.2 97 97 91 97 295 28.7 9.868 -0.273 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN BRA4_R~4-N1014 Lactic acid 6.8423 1076.2 >12 scans 24% 117 m/z 7.6% 0.209% 72 0.3 32 2404 0.355% 52627 50096 89389 0-2 3: 117 147 190 0.852 6.82 1.3 89 93 68 93 295 2.4 0.000 0.021 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN A-KETO~2-N1006 Contamination?? 7.9303 1140.7 2.4 scans 53% 156 m/z 4.6% 0.126% 175 1.1 46 3925 0.186% 31780 31780 46835 0-0 4: 156 55 54 157 0.929 7.96 -1.5 95 95 87 97 156 25.9 31.643 -0.027 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN LQC1-N1190 Contamination 8.4343 1170.6 2.9 scans 71% 73 m/z 2.4% 0.291% 223 1.6 65 7404 0.615% 73392 67061 154857 1-6 11: 73 211 140 198 77 126 186 74 69 199 113 0.977 8.48 -2.9 88 87 87 90 309 5.4 0.680 -0.050 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN LQC1-N1188 Contamination 9.0246 1205.5 4.2 scans 79% 281 m/z 2.4% 0.556% 279 2.2 71 7375 140180 129082 1-3 9: 281 369 282 147 283 207 148 249 371 0.998 8.41 36.1 93 96 80 98 369 20.1 7.975 0.610 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN LQC1-N1180 Benzoic acid 9.7475 1247.8 4.0 scans 68% TIC 3.6% 0.255% 348 0.6 56 5089 0.442% 64381 59265 111296 2-6 0.977 9.76 -0.7 95 95 88 96 194 8.3 2.238 -0.012 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN VEN77_S6-N1002 Glycerol 10.0705 1266.7 2.4 scans 58% 299 m/z 0.96% 0.607% 379 0.9 100 19065 152847 141700 1-2 9: 299 300 314 211 301 193 189 315 316 0.968 10.09 -1.3 94 92 76 98 299 57.1 32.566 -0.024 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN LACTIC~1-N1034 Glycerol 10.1010 1268.5 3.3 scans 62% 205 m/z 2.0% 0.631% 382 0.7 86 8725 158939 147215 2-1 16: 205 147 117 103 218 133 206 148 204 149 175 219 129 134 118 217 0.742 10.11 -0.5 96 97 70 97 293 6.4 0.556 -0.009 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN A-AMYRIN-N1012 Contamination?? 10.2388 1276.5 2.7 scans 85% 73 m/z 1.3% 0.416% 395 1.0 80 13233 104977 104975 1-0 12: 73 198 77 211 70 199 239 74 289 72 212 381 0.986 10.24 -0.1 95 95 92 95 381 8.5 1.122 -0.001 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN TAB_REP6-N1014 Maleic acid 10.5955 1297.4 2.6 scans 94% 147 m/z 0.29% 2.09% 429 0.9 173 61265 29.6% 528599 484142 7453286 12-2 20: 147 73 245 148 75 83 149 74 133 246 115 143 170 59 126 84 53 54 155 61 0.997 10.60 -0.4 99 98 99 98 245 40.6 5.542 -0.006 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7481 1306.5 3.0 scans 91% 147 m/z 0.020% 33.5% 443 0.9 662 903860 8455989 7647010 3-1 20: 147 73 76 148 251 149 58 132 74 252 133 177 150 176 59 118 72 134 62 253 0.955 10.76 -0.6 97 95 96 100 251 150.2 5.169 -0.010 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN TAB_REP6-N1018 Uracil 11.1374 1329.9 2.3 scans 60% 241 m/z 7.5% 0.0784% 480 1.1 38 2417 19765 19765 0-0 6: 241 256 255 99 242 113 0.904 11.15 -0.7 91 92 88 95 256 13.0 11.489 -0.011 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN LQC1-N1162 Fumaric acid 11.3584 1343.2 2.3 scans 96% 245 m/z 0.23% 2.48% 501 1.0 211 78480 625064 603213 1-1 20: 245 147 73 246 75 143 83 247 148 133 115 149 74 84 155 53 59 61 240 157 0.998 11.39 -2.1 100 99 98 99 245 115.9 30.156 -0.035 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4573 1349.2 3.0 scans 92% TIC 0.99% 0.847% 510 1.5 103 18479 3.25% 213444 208513 818351 2-0 0.997 11.45 0.7 98 96 99 99 145 28.2 7.582 0.011 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN BRA4_R~2-N1008 Thymine 11.5920 1357.3 2.7 scans 32% 255 m/z 16% 0.0184% 523 0.9 17 1105 4645 4645 0-0 1: 255 0.836 11.58 0.5 83 92 71 91 270 7.3 19.191 0.008 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN TAB_REP6-N1026 Malic acid 13.5227 1476.9 2.5 scans 95% 73 m/z 0.76% 0.937% 707 1.0 124 23809 236051 231991 1-0 20: 73 147 233 245 133 74 190 148 189 55 75 101 149 335 217 234 191 265 59 131 1.000 13.53 -0.7 98 97 95 97 335 15.6 1.582 -0.010 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN LQC1-N1138 Pyroglutamic acid 14.0225 1508.9 2.9 scans 91% 156 m/z 1.0% 0.595% 754 1.1 92 17702 149895 140827 1-3 12: 156 73 230 157 258 147 74 232 75 133 148 231 0.997 14.11 -5.8 94 92 91 97 273 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3277 1529.1 2.6 scans 58% 239 m/z 6.3% 0.120% 783 1.0 43 2877 30225 30225 0-1 4: 239 342 343 240 0.842 14.37 -3.1 89 89 75 91 342 16.0 13.508 -0.046 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN A-AMYRIN-N1010 Contamination?? 16.2500 1659.2 2.9 scans 84% 290 m/z 3.0% 0.181% 966 1.7 47 5975 45606 40927 1-10 6: 290 291 73 292 392 158 0.989 16.28 -1.9 96 96 84 96 392 8.1 2.957 -0.026 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN LQC1-N1076 Pregnane?? 18.7953 1844.9 2.7 scans 89% 345 m/z 2.5% 0.358% 1208 1.1 74 7299 0.362% 90276 83327 91152 3-2 17: 345 73 346 255 147 347 256 204 191 419 74 148 372 133 257 149 435 0.996 18.86 -4.8 90 90 81 90 537 6.5 0.772 -0.063 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9637 1857.7 3.0 scans 94% 73 m/z 1.0% 1.01% 1224 1.5 116 17953 256705 244249 1-2 20: 73 103 307 217 147 308 218 133 74 277 117 205 219 189 89 148 104 72 172 131 0.998 18.40 42.7 92 97 97 99 364 12.0 1.075 0.560 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN WTF2-N1018 Fructose 19.0857 1867.0 3.3 scans 92% 73 m/z 1.6% 0.712% 1236 1.6 92 11201 1.67% 179438 168729 420506 2-2 20: 73 103 307 217 147 308 218 74 277 189 205 133 148 309 219 129 204 149 104 191 1.000 18.52 42.7 91 95 97 98 364 10.7 1.366 0.561 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN BRA4_R~2-N1004 Galactose 19.2993 1883.3 4.0 scans 93% 319 m/z 1.4% 1.05% 1256 1.5 103 12875 1.09% 266430 249704 274462 1-4 20: 319 73 205 147 217 103 321 117 74 133 218 129 189 148 59 229 161 191 307 231 0.997 19.36 -4.8 95 94 90 95 364 4.8 0.216 -0.062 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN LQC1-N1062 Glucose 19.5455 1902.2 4.3 scans 81% 319 m/z 6.4% 0.175% 1279 1.7 41 2826 0.185% 44158 42384 46583 1-4 8: 319 73 320 205 160 103 147 321 0.968 19.66 -8.9 84 84 73 84 319 16.3 15.608 -0.110 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN GUA35_L1-N1008 Glucopyranose 20.3347 1965.6 3.0 scans 80% TIC 7.3% 0.148% 1354 2.4 37 2490 37386 27779 5-18 0.980 20.41 -6.4 81 81 76 81 217 8.7 5.367 -0.079 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN INOSIT~1-N1024 myo-Inositol 21.6931 2078.2 4.3 scans 94% 305 m/z 2.3% 1.02% 1483 2.7 91 7680 258907 235332 1-5 18: 305 73 217 147 191 319 306 218 265 432 291 507 148 129 74 192 221 266 0.999 21.75 -4.7 95 94 90 94 507 7.7 0.708 -0.056 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2318 2124.4 5.7 scans 94% 396 m/z 3.3% 0.675% 1535 3.0 66 5518 170004 162742 1-5 13: 396 219 73 397 381 191 307 398 220 399 382 249 221 0.998 22.19 3.9 93 92 78 93 396 30.7 21.771 0.046 G:\GCMS data\Nicotiana Panel polar\ExBlk5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.6058 2536.4 4.5 scans 88% 73 m/z 13% 0.103% 1950 2.0 31 1314 25960 25960 1-0 5: 73 247 455 512 456 0.983 26.57 3.3 81 83 61 83 512 13.4 19.308 0.033 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN EXBLK5S-N1006 Contamination 6.3806 1048.8 2.7 scans 70% 207 m/z 0.77% 1.05% 28 1.6 103 23188 281749 182133 6-8 14: 207 73 295 208 296 191 209 297 279 133 193 192 189 210 0.986 6.63 -14.5 98 97 92 97 295 33.3 10.527 -0.244 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN BRA4_R~4-N1014 Lactic acid 6.8730 1078.0 >11 scans 27% 147 m/z 7.6% 0.194% 75 0.3 33 2345 0.477% 52223 52223 127866 0-0 2: 147 191 0.928 6.82 3.1 83 83 80 94 295 5.2 2.478 0.052 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN A-KETO~2-N1006 Contamination?? 7.9494 1141.8 2.3 scans 60% 156 m/z 4.1% 0.128% 177 1.0 48 4306 0.180% 34343 34343 48251 0-0 3: 156 55 157 0.952 7.96 -0.4 94 92 90 98 156 26.4 30.368 -0.008 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN LQC1-N1192 Contamination 8.0336 1146.8 2.6 scans 71% 73 m/z 3.2% 0.255% 185 1.4 64 5581 0.300% 68437 58316 80419 3-1 15: 73 147 220 133 72 160 235 146 59 148 89 86 74 103 100 0.954 7.99 2.6 87 84 87 95 235 12.3 3.722 0.045 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN LQC1-N1188 Contamination 8.3882 1167.8 3.6 scans 45% 281 m/z 8.8% 0.0956% 219 1.8 32 2015 0.100% 25651 25651 26806 0-0 3: 281 282 369 0.982 8.41 -1.6 93 95 87 95 369 10.0 9.956 -0.027 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN LQC1-N1190 Contamination 8.4482 1171.4 3.0 scans 73% 73 m/z 2.2% 0.335% 224 1.8 66 7947 0.354% 90047 83999 94894 0-2 13: 73 140 198 211 77 69 70 126 186 74 215 170 199 0.989 8.48 -2.1 92 91 90 92 309 5.8 0.766 -0.036 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN LQC1-N1180 Benzoic acid 9.7592 1248.5 2.9 scans 72% 179 m/z 3.5% 0.222% 349 1.0 53 5012 59643 49263 11-15 7: 179 105 135 77 180 194 136 0.959 9.76 -0.0 96 95 88 97 194 8.2 2.423 0.000 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN VEN77_S6-N1002 Glycerol 10.0759 1267.0 2.3 scans 79% 299 m/z 0.30% 1.42% 379 1.0 161 58242 380651 379646 0-1 15: 299 300 314 301 211 283 193 315 316 302 181 225 212 137 195 0.952 10.09 -1.0 99 99 95 99 299 97.2 36.554 -0.018 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN LACTIC~1-N1034 Glycerol 10.1085 1268.9 3.4 scans 92% 205 m/z (299) 0.97% 1.23% 382 0.7 119 18306 331229 326135 1-1 17: 205 147 117 218 103 206 175 148 204 149 217 293 129 177 219 104 89 0.993 10.11 -0.1 93 92 91 99 293 7.7 0.418 -0.001 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN A-AMYRIN-N1012 Contamination?? 10.2453 1276.9 2.5 scans 89% 73 m/z 0.96% 0.526% 395 1.1 92 18465 141204 135399 1-1 11: 73 198 77 211 239 74 199 70 289 72 200 0.982 10.24 0.3 97 96 94 96 381 9.4 1.044 0.005 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN LQC1-N1174 Proline 10.5263 1293.3 2.8 scans 42% 142 m/z 4.1% 0.0604% 422 0.9 30 4358 0.0628% 16209 16209 16834 0-0 3: 142 143 216 0.924 10.55 -1.1 86 90 65 89 142 26.6 78.441 -0.019 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN TAB_REP6-N1014 Maleic acid 10.6010 1297.7 2.5 scans 92% 147 m/z 0.43% 1.12% 429 1.1 138 41503 1.18% 302138 280655 316314 3-1 20: 147 73 245 148 75 149 83 133 74 115 246 143 85 84 59 126 170 72 54 61 0.996 10.60 -0.1 98 98 98 98 245 32.8 5.611 -0.001 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7588 1307.2 3.2 scans 96% TIC 0.015% 42.5% 444 0.8 730 1162657 11403912 11054364 1-1 0.990 10.76 0.1 98 96 95 100 251 163.9 5.072 0.001 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN WTF2-N1022 Succinic acid 10.7904 1309.1 1.8 scans 52% 247 m/z (250) 0.21% 1.40% 447 0.9 167 81487 1.62% 376284 333343 434261 0-1 4: 247 129 172 218 0.956 10.27 30.6 86 86 82 97 247 37.4 5.010 0.517 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0860 1326.9 2.4 scans 62% 184 m/z 11% 0.0822% 475 1.0 38 1599 22035 22035 0-0 4: 184 134 285 174 0.981 11.06 1.4 80 79 74 88 285 11.2 8.790 0.023 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN TAB_REP6-N1018 Uracil 11.1439 1330.3 2.5 scans 62% 241 m/z 9.1% 0.0866% 481 1.1 37 1963 0.0890% 23234 23234 23858 0-0 6: 241 99 256 255 242 183 0.961 11.15 -0.3 92 91 86 96 256 13.2 12.497 -0.004 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN LQC1-N1162 Fumaric acid 11.3628 1343.5 2.5 scans 94% TIC 0.42% 1.40% 501 1.1 153 42203 2.16% 377092 360332 579015 3-2 0.998 11.39 -1.8 99 99 98 99 245 82.8 29.377 -0.030 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4627 1349.5 3.0 scans 90% 57 m/z 0.92% 0.729% 511 0.9 102 19271 195663 188114 2-1 20: 57 97 145 115 55 56 69 59 129 111 127 71 109 128 83 72 98 146 84 116 0.993 11.45 1.0 100 100 99 100 145 29.0 8.087 0.017 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN TAB_REP6-N1026 Malic acid 13.5240 1477.0 2.6 scans 87% 73 m/z 2.1% 0.270% 707 1.0 68 8406 72400 70217 1-1 15: 73 147 233 245 133 148 190 189 74 149 175 191 55 101 59 0.992 13.53 -0.6 88 88 86 88 335 8.5 1.597 -0.009 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN LQC1-N1138 Pyroglutamic acid 14.0227 1508.9 2.7 scans 94% 156 m/z 0.56% 0.972% 754 1.2 120 31428 260701 252147 1-3 20: 156 73 157 258 147 230 232 74 75 158 148 231 59 55 72 100 133 259 86 112 1.000 14.11 -5.8 95 93 93 98 273 5.1 0.180 -0.087 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3279 1529.1 2.6 scans 56% 239 m/z 8.2% 0.0879% 783 1.1 38 2175 23583 23583 1-0 3: 239 342 55 0.781 14.37 -3.1 84 86 70 89 342 12.5 10.995 -0.046 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN A-AMYRIN-N1010 Contamination?? 16.2450 1658.9 2.7 scans 83% 290 m/z 3.1% 0.160% 965 1.9 45 5649 43007 43007 1-0 4: 290 291 292 158 0.986 16.28 -2.2 96 96 85 96 392 6.7 2.240 -0.031 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7128 1763.9 2.7 scans 86% 73 m/z 3.8% 0.240% 1105 1.1 61 4592 64483 58347 2-4 15: 73 334 204 256 129 217 257 147 335 205 255 133 74 375 167 0.997 17.70 1.0 88 88 79 89 375 8.2 1.808 0.014 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN LQC1-N1076 Pregnane?? 18.7955 1844.9 2.7 scans 93% 345 m/z 1.3% 0.581% 1208 1.0 96 12993 0.664% 155994 150184 177993 1-1 20: 345 73 346 255 147 347 191 204 334 256 74 148 419 133 257 348 217 239 149 131 0.995 18.86 -4.8 94 93 86 93 537 6.0 0.395 -0.063 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN WTF2-N1018 Fructose 18.9680 1858.1 2.8 scans 90% 73 m/z 2.3% 0.334% 1224 1.1 71 7753 89718 85657 3-1 16: 73 103 307 217 147 133 117 308 218 74 189 104 309 205 148 219 0.996 18.52 33.8 90 93 93 93 364 6.7 0.883 0.443 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN BRA4_R~2-N1004 Galactose 19.3005 1883.4 3.0 scans 91% 73 m/z 3.1% 0.307% 1256 1.1 64 5602 0.341% 82481 71982 91409 1-8 15: 73 319 205 147 160 206 217 320 321 133 74 189 204 129 148 0.993 19.36 -4.7 92 91 84 92 364 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN LQC1-N1042 myo-Inositol 21.7237 2080.8 5.7 scans 85% TIC 10% 0.207% 1486 2.2 38 1668 55593 50388 1-5 0.986 21.77 -4.3 87 87 80 91 318 12.0 9.844 -0.050 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2046 2122.1 4.1 scans 96% 396 m/z 0.91% 1.86% 1532 2.5 128 19580 499238 487256 0-7 20: 396 219 73 397 381 220 398 191 249 293 307 382 74 75 221 175 399 233 383 115 0.996 22.19 1.6 96 95 89 96 396 56.4 19.369 0.019 G:\GCMS data\Nicotiana Panel polar\ExBlk6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5870 2534.5 4.2 scans 88% 512 m/z 10% 0.136% 1949 1.9 37 1703 36699 34799 1-2 6: 512 455 73 247 456 513 0.995 26.57 1.4 85 86 65 86 512 16.3 19.313 0.014 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN VEN77_S6-N1002 Glycerol 10.0074 1263.0 5.4 scans 91% TIC 0.42% 4.32% 373 3.3 116 35017 546976 525845 0-5 0.968 10.09 -5.0 100 99 96 99 299 71.4 38.203 -0.087 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN LACTIC~1-N1034 Glycerol 10.0474 1265.3 5.8 scans 18% 205 m/z (299) 6.5% 0.514% 376 1.4 38 2303 0.697% 64967 64967 88054 0-0 5: 205 117 103 147 218 0.669 10.11 -3.7 86 94 62 91 293 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN LQC1-N1174 Proline 10.4473 1288.7 5.2 scans 80% TIC 1.7% 0.720% 414 1.5 49 8570 1.16% 91057 75750 146546 9-0 0.954 10.55 -5.7 93 94 88 95 142 35.3 51.303 -0.098 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5272 1293.4 4.0 scans 72% 147 m/z 3.0% 0.355% 422 1.9 41 4986 2.06% 44936 41915 260246 0-2 6: 147 148 245 73 149 83 0.986 10.60 -4.4 90 89 79 90 245 9.9 5.907 -0.075 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.6682 1301.7 4.3 scans 92% 147 m/z 0.87% 1.82% 435 2.6 80 17080 230422 218194 1-5 17: 147 73 76 251 148 149 58 132 74 72 131 252 133 62 150 118 177 0.981 10.76 -5.4 95 93 94 97 251 18.6 5.383 -0.090 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN LQC1-N1168 Glyceric acid 10.9807 1320.5 4.1 scans 91% 73 m/z 1.8% 1.32% 465 2.1 74 7965 167297 154960 1-2 18: 73 189 292 147 133 293 102 103 307 205 117 217 59 131 101 206 175 134 0.997 11.05 -4.4 97 96 94 96 292 22.9 9.489 -0.073 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN LQC1-N1162 Fumaric acid 11.3206 1341.0 3.8 scans 84% 245 m/z 2.9% 0.439% 497 1.8 44 5117 1.22% 55468 52530 154126 1-5 7: 245 147 246 73 143 247 83 0.982 11.39 -4.3 96 96 85 96 245 27.3 38.027 -0.072 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN LQC1-N1160 Serine 11.4826 1350.7 3.8 scans 96% 204 m/z 0.72% 2.87% 513 1.6 115 20679 363574 355704 1-1 20: 204 218 73 205 100 147 133 188 116 220 72 59 75 115 216 132 114 117 149 134 0.995 11.56 -4.5 99 98 96 98 306 11.8 1.054 -0.074 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN LQC1-N1154 Threonine 11.9003 1375.9 3.4 scans 86% 218 m/z 4.7% 0.418% 553 1.4 46 3191 52882 52052 0-3 11: 218 219 73 117 101 291 220 292 100 57 74 0.982 11.96 -3.6 94 94 86 94 320 3.2 0.476 -0.060 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN TAB_REP6-N1026 Malic acid 13.5270 1477.2 2.8 scans 94% 73 m/z 1.1% 1.16% 707 1.2 86 13239 147728 142462 1-1 20: 73 147 233 245 133 189 74 335 190 55 148 307 149 175 191 75 101 234 59 217 0.996 13.53 -0.4 95 94 91 94 335 11.4 1.746 -0.006 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0289 1509.3 3.2 scans 92% 156 m/z 1.5% 0.705% 755 1.2 62 9749 89108 86877 0-3 12: 156 73 147 157 258 230 232 59 74 72 158 133 0.986 14.11 -5.4 93 91 89 97 273 0.0 0.000 -0.081 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN LQC1-N1134 GABA 14.1868 1519.7 2.8 scans 88% 174 m/z 3.3% 0.338% 770 1.1 46 4494 42707 38919 1-1 7: 174 304 73 175 147 305 86 0.989 14.24 -3.7 94 93 84 93 304 15.4 10.965 -0.055 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6276 1549.0 2.5 scans 88% 73 m/z 2.9% 0.453% 812 1.0 56 5129 57277 52961 1-1 13: 73 292 147 205 220 293 117 103 221 74 133 148 149 0.979 14.62 0.4 90 90 85 90 409 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5759 1753.9 2.6 scans 89% 217 m/z 2.4% 0.386% 1092 1.1 51 6084 0.691% 48775 43890 87296 5-1 7: 217 73 218 147 450 219 451 1.000 17.63 -4.1 85 84 79 84 450 10.2 3.927 -0.056 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7053 1763.4 2.7 scans 90% 73 m/z 2.0% 0.907% 1104 1.0 76 7160 114626 105878 3-2 20: 73 334 204 256 129 217 257 147 335 375 255 149 75 336 205 74 258 59 143 166 0.996 17.70 0.5 92 91 84 92 375 10.1 1.752 0.006 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN LQC1-N1076 Pregnane?? 18.7775 1843.5 2.6 scans 97% 345 m/z 0.090% 16.9% 1206 1.0 339 165565 2143678 2066900 1-1 20: 345 73 346 255 147 347 204 191 334 256 148 133 74 419 435 372 257 239 348 149 1.000 18.86 -6.2 100 99 99 99 537 26.0 0.587 -0.080 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN LQC1-N1072 Fructose 18.9490 1856.6 2.9 scans 97% 73 m/z 0.47% 3.80% 1222 1.1 151 31885 480810 480231 0-1 20: 73 103 307 217 147 308 133 277 218 117 74 205 309 364 104 129 219 148 204 191 1.000 19.03 -6.4 96 94 95 95 364 16.3 1.159 -0.084 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN LQC1-N1070 Fructose 19.0711 1865.9 2.8 scans 91% TIC 0.78% 2.25% 1234 0.8 118 19164 6.69% 284956 259706 845169 3-0 0.993 19.19 -9.4 92 91 91 91 554 7.0 0.351 -0.123 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN LQC1-N1064 Mannose 19.2783 1881.7 3.0 scans 97% 73 m/z 0.53% 3.68% 1254 1.1 148 28282 465075 453142 0-4 20: 73 319 205 147 160 320 217 103 117 204 321 206 74 129 133 161 291 89 157 218 1.000 19.45 -13.5 95 94 94 95 319 54.9 13.696 -0.177 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN BRA4_R~2-N1004 Galactose 19.5246 1900.5 3.0 scans 90% 319 m/z 2.3% 0.741% 1277 0.8 64 6355 93674 91298 1-0 13: 319 73 205 320 103 160 117 133 74 321 129 206 89 0.997 19.36 12.4 91 91 84 90 364 0.0 0.000 0.164 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6658 2075.9 3.6 scans 98% 305 m/z 0.34% 10.0% 1481 1.6 213 43394 1269714 1229673 1-1 20: 305 73 217 147 318 191 306 319 204 432 218 148 433 129 291 74 133 219 367 221 0.999 21.75 -7.0 99 98 97 98 507 18.1 0.724 -0.083 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.9551 2100.3 6.0 scans 88% 319 m/z 7.8% 0.376% 1509 1.4 34 1910 47611 44655 1-3 4: 319 205 73 147 0.952 21.93 2.2 83 84 72 83 656 0.0 0.000 0.025 G:\GCMS data\Nicotiana Panel polar\GLAU_REP1.FIN LQC1-N1014 Sucrose 27.4066 2619.8 4.2 scans 98% 361 m/z 0.49% 5.97% 2026 2.4 143 30430 754772 727981 0-9 20: 361 362 217 437 147 363 271 438 319 451 218 169 452 243 219 364 204 331 189 439 0.997 27.49 -8.9 99 98 94 98 437 28.3 3.899 -0.083 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN EXBLK5S-N1006 Contamination 6.5930 1061.4 2.4 scans 76% 207 m/z 0.51% 0.0936% 48 2.2 148 48268 0.185% 456990 341649 902348 14-4 18: 207 73 295 208 209 296 191 297 279 74 193 189 177 247 210 192 163 263 0.976 6.63 -1.9 99 99 96 99 295 44.1 8.880 -0.032 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.7445 1070.4 >3 scans 29% 147 m/z 4.9% 0.0114% 63 1.5 48 5024 0.0238% 55831 48097 116086 0-7 3: 147 117 190 0.815 6.82 -4.5 84 84 64 95 295 7.8 2.656 -0.076 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1194 Alanine 7.3727 1107.6 5.4 scans 85% 116 m/z 0.50% 0.123% 122 0.4 136 48309 0.200% 603386 603386 975512 0-0 12: 116 73 117 190 118 59 100 148 103 133 88 71 0.989 7.40 -1.9 98 98 97 99 283 6.1 0.198 -0.031 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN A-KETO~2-N1006 Contamination?? 7.8714 1137.2 2.6 scans 82% 156 m/z 1.3% 0.0347% 170 1.2 95 17670 0.110% 169511 154763 536531 1-2 11: 156 75 55 73 157 54 61 74 158 76 59 0.992 7.96 -5.0 99 99 97 99 156 51.5 29.196 -0.086 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1192 Contamination 7.9514 1141.9 2.7 scans 62% 73 m/z 4.9% 0.0120% 177 1.2 62 4964 0.0481% 58845 58252 234611 2-0 12: 73 147 152 133 235 220 167 146 86 72 100 59 0.953 7.99 -2.3 89 90 87 89 235 11.7 3.592 -0.038 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1188 Contamination 8.3723 1166.9 3.5 scans 76% 281 m/z 2.7% 0.0289% 217 1.4 72 8946 0.0316% 141130 117544 154131 7-0 12: 281 369 282 283 265 370 249 207 371 148 191 284 0.973 8.41 -2.5 98 97 82 99 369 21.3 8.716 -0.043 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1190 Contamination 8.4649 1172.4 >4 scans 69% TIC 3.6% 0.0110% 226 1.2 60 6656 0.0808% 54044 54044 394107 0-0 0.981 8.48 -1.1 92 92 89 92 309 6.2 1.049 -0.019 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1186 Phosphate 8.5164 1175.4 2.3 scans 67% 241 m/z 0.98% 0.0292% 231 1.0 94 24941 0.0302% 142479 135701 147302 0-3 11: 241 242 211 133 163 243 256 195 135 137 119 0.865 8.56 -2.6 97 98 87 98 299 0.0 0.000 -0.045 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1184 Valine 9.1477 1212.7 2.8 scans 83% 144 m/z (156) 1.2% 0.0357% 291 0.9 90 20469 174218 153614 2-3 11: 144 73 218 145 147 146 219 128 74 59 220 0.989 9.19 -2.3 96 98 95 98 218 26.9 8.915 -0.040 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1180 Benzoic acid 9.7159 1245.9 2.9 scans 74% 179 m/z 2.7% 0.0208% 345 1.3 68 8914 101692 93858 1-9 9: 179 105 135 77 180 136 194 181 106 0.978 9.76 -2.6 96 95 91 98 194 10.6 2.461 -0.043 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1178 Ethanolamine 9.9884 1261.9 3.2 scans 85% TIC 1.0% 0.0449% 371 0.8 98 24381 4.49% 219089 186232 21900233 5-0 0.980 10.03 -2.6 99 98 95 98 262 12.1 1.516 -0.046 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN VEN77_S6-N1002 Glycerol 10.0831 1267.4 3.2 scans 96% 299 m/z 0.0090% 4.77% 380 0.6 1019 2718465 23290225 22722739 1-1 20: 299 300 314 73 301 133 283 211 315 207 193 191 316 302 135 225 298 74 284 75 0.988 10.09 -0.6 100 99 96 99 299 638.2 39.454 -0.011 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LACTIC~1-N1034 Glycerol 10.0947 1268.1 2.5 scans 5.0% 205 m/z (299) 0.45% 0.136% 381 0.6 179 54593 667785 636160 1-3 11: 205 218 204 219 217 175 129 293 203 220 294 0.639 10.11 -0.9 86 95 57 93 293 16.4 0.839 -0.015 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2315 1276.1 2.4 scans 91% 73 m/z 0.49% 0.0766% 394 1.1 149 49384 373980 357046 1-2 19: 73 198 77 211 199 70 74 381 239 212 289 200 72 143 170 189 92 63 104 0.994 10.24 -0.5 99 98 98 98 381 16.9 1.299 -0.009 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1176 Isoleucine 10.4220 1287.2 >3 scans 84% TIC 1.1% 0.0357% 412 1.4 95 20857 1.67% 174373 172322 8145521 1-0 0.990 10.46 -2.2 97 95 94 98 260 7.5 0.620 -0.037 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1012 Proline 10.5135 1292.6 2.6 scans 96% 142 m/z 0.019% 1.55% 421 0.7 624 1244800 1.73% 7560518 7055532 8438175 4-0 20: 142 73 143 216 147 144 75 74 72 59 66 217 133 148 100 218 244 131 70 170 0.998 10.53 -1.2 99 98 98 100 216 117.0 3.536 -0.020 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5798 1296.5 2.9 scans 92% TIC 0.16% 0.220% 427 0.8 245 144982 3.94% 1076036 1076036 19217577 0-0 0.996 10.60 -1.3 99 98 98 99 245 58.7 5.721 -0.022 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1170 Glycine 10.6419 1300.1 2.8 scans 67% 174 m/z 0.64% 0.0624% 433 1.3 132 38458 0.382% 304738 304738 1863227 0-0 19: 174 248 175 86 133 276 176 100 249 59 250 130 131 134 117 158 277 87 246 0.896 10.69 -2.7 92 91 87 93 276 21.0 2.538 -0.045 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7334 1305.6 3.0 scans 95% TIC 0.023% 2.01% 442 0.9 653 1045308 9840662 9290535 1-2 0.993 10.76 -1.5 99 97 96 99 251 156.7 5.787 -0.025 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1168 Glyceric acid 11.0049 1322.0 2.6 scans 95% 73 m/z 0.26% 0.277% 467 1.1 264 92126 0.280% 1352291 1315537 1365716 1-4 20: 73 147 292 189 133 103 205 293 102 148 117 190 307 294 74 75 149 191 101 59 0.997 11.05 -2.9 100 99 99 100 292 80.8 9.382 -0.049 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0648 1325.6 3.2 scans 78% TIC 4.1% 0.0190% 473 0.9 72 5870 0.286% 92826 92826 1394981 0-0 0.981 11.06 0.1 97 97 93 98 285 22.0 9.237 0.002 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1018 Uracil 11.1259 1329.3 2.5 scans 66% 241 m/z 5.7% 0.00891% 479 1.1 50 4266 43505 43505 0-1 7: 241 256 255 242 113 183 257 0.949 11.15 -1.3 96 95 87 99 256 16.4 10.910 -0.022 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1162 Fumaric acid 11.3479 1342.6 2.4 scans 95% 245 m/z 0.21% 0.201% 500 1.1 240 115167 984245 928514 2-2 20: 245 147 73 246 75 143 247 240 83 133 148 115 149 155 74 84 53 157 61 241 0.999 11.39 -2.7 97 96 96 97 245 131.4 29.860 -0.045 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4468 1348.6 2.9 scans 84% 57 m/z 1.3% 0.0392% 509 1.2 96 18736 0.0947% 191364 187092 461905 1-0 15: 57 97 145 115 69 55 56 129 109 59 111 71 128 83 58 0.993 11.45 0.1 97 97 97 97 145 28.6 8.888 0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1160 Serine 11.5131 1352.6 2.5 scans 98% 204 m/z 0.030% 1.87% 516 0.7 716 809589 9162658 9126248 1-0 20: 204 218 73 205 147 100 219 188 278 206 133 75 220 306 74 116 59 189 216 132 1.000 11.56 -2.6 100 99 100 100 306 77.4 1.170 -0.044 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1024 Threonine 11.9129 1376.6 2.5 scans 97% 73 m/z 0.18% 0.406% 554 0.9 331 133179 1984398 1914931 1-1 20: 73 218 219 117 291 292 147 101 220 57 100 75 74 293 133 203 202 128 221 132 0.997 11.92 -0.5 100 99 99 100 320 30.9 0.871 -0.008 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1150 Citrulline 13.0240 1445.5 3.8 scans 67% TIC 5.8% 0.0198% 659 0.9 62 4245 0.0259% 96885 96885 126329 0-0 0.937 13.08 -3.3 90 91 83 91 258 7.2 1.342 -0.052 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1148 Glutamine?? 13.3102 1463.6 3.1 scans 96% 155 m/z 0.066% 0.722% 687 0.6 402 369397 3525803 3387025 1-1 20: 155 73 147 156 229 139 75 59 74 100 157 148 230 133 131 84 257 103 72 56 0.998 13.35 -2.3 98 97 99 100 257 32.2 0.641 -0.037 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1146 Malic acid 13.5438 1478.3 2.5 scans 96% 73 m/z 0.032% 1.93% 709 0.6 720 749820 9417426 8593504 1-1 20: 73 147 233 245 133 189 335 148 190 75 175 191 149 55 74 101 234 217 307 265 1.000 13.62 -4.5 100 99 99 99 350 18.6 0.067 -0.073 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1144 Contamination Parabanica acid 13.7480 1491.1 2.8 scans 71% 243 m/z 0.91% 0.103% 728 1.1 154 26832 503896 423837 3-11 13: 243 115 100 128 116 244 158 201 245 72 142 98 61 0.985 13.81 -3.7 98 97 94 97 243 63.4 16.950 -0.058 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1142 Erythritol/Threitol 13.8363 1496.7 2.6 scans 73% 217 m/z 0.78% 0.0632% 737 1.2 129 31297 0.124% 308375 287388 604817 3-1 19: 217 147 205 103 189 204 307 117 191 133 218 293 206 320 116 148 277 101 219 0.885 13.89 -3.4 92 90 89 96 320 10.9 0.714 -0.054 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1140 Aspartic acid 14.0236 1508.9 2.5 scans 54% 232 m/z (156) 0.12% 0.382% 754 1.0 317 192587 1865089 1840292 0-1 19: 232 233 218 100 202 234 188 216 306 219 334 130 220 292 204 101 235 203 189 0.939 14.09 -4.2 96 98 92 98 349 17.9 0.321 -0.063 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0478 1510.5 3.2 scans 95% 156 m/z 0.041% 1.12% 757 0.6 490 592336 5481040 5396932 1-0 17: 156 258 147 157 230 158 259 231 72 121 140 58 112 260 86 55 85 0.980 14.11 -4.2 100 99 99 99 273 21.7 0.196 -0.062 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1136 4-Hydroxy-Proline 14.1162 1515.1 2.6 scans 43% 230 m/z (142) 2.9% 0.0101% 763 1.0 54 8231 0.327% 49713 49713 1594961 0-0 6: 230 140 231 232 239 304 0.906 14.17 -3.2 83 86 73 86 332 6.6 1.516 -0.050 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1032 GABA 14.1888 1519.9 2.7 scans 94% TIC 0.092% 0.590% 770 1.1 394 266040 0.606% 2878912 2800913 2955800 1-1 0.993 14.19 0.1 100 99 99 99 304 121.0 9.431 0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6086 1547.7 2.6 scans 91% 73 m/z 0.51% 0.127% 810 1.1 189 48086 0.155% 619553 583762 756021 0-2 20: 73 292 147 220 205 293 217 117 294 103 221 148 319 133 291 74 149 102 206 75 0.997 14.62 -0.9 99 98 97 98 409 15.4 0.663 -0.012 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6097 1547.8 2.6 scans 92% TIC 0.50% 0.128% 810 1.2 190 48931 625589 596392 0-1 0.998 14.69 -5.4 98 97 95 98 409 15.4 0.656 -0.082 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1126 Pyrazine 15.0737 1578.6 2.5 scans 95% 73 m/z 0.27% 0.330% 854 1.0 301 89845 1611413 1552035 1-1 20: 73 227 344 301 147 345 228 154 302 139 346 126 211 59 329 74 303 229 212 128 0.990 15.13 -3.8 99 98 98 99 344 93.4 9.649 -0.058 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3789 1598.8 2.5 scans 53% 217 m/z (146) 2.5% 0.0141% 883 1.0 65 9621 0.0208% 69086 69086 101453 0-0 6: 217 218 219 259 103 205 0.924 15.44 -4.2 87 88 83 92 393 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1120 Glutamic acid 15.5041 1607.4 2.5 scans 91% TIC 0.63% 0.0717% 895 1.0 146 38552 349954 345705 2-0 0.994 15.56 -3.9 99 98 97 98 363 16.2 1.224 -0.056 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1118 Phenylalanine 15.6051 1614.4 2.6 scans 79% 218 m/z (267) 0.57% 0.117% 905 1.1 170 42911 572141 526702 1-2 14: 218 192 219 100 266 91 220 132 65 294 177 146 101 162 0.997 15.66 -3.8 92 93 92 96 294 13.0 0.587 -0.054 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1038 Xylose 15.8892 1634.2 3.0 scans 34% 307 m/z 6.5% 0.0116% 932 1.6 49 3748 0.0550% 56782 54615 268266 0-2 3: 307 103 308 0.533 15.89 -0.0 81 87 52 93 307 19.1 14.860 -0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1040 Xylose 16.0060 1642.3 2.6 scans 87% 73 m/z 0.88% 0.0801% 943 1.1 147 27839 390974 357571 1-1 20: 73 103 307 217 147 218 189 308 160 277 204 205 309 133 104 74 148 191 89 131 0.995 16.00 0.2 98 96 97 99 307 41.2 7.812 0.002 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1042 Ribose 16.1038 1649.1 2.7 scans 87% TIC 1.0% 0.0604% 952 1.0 127 22498 0.835% 295069 281478 4072761 2-0 0.993 16.10 0.1 96 94 96 98 307 37.4 8.669 0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN EXBLK1-N1004 Contamination triHydroxy-Benzene 16.1554 1652.7 2.9 scans 67% TIC 1.8% 0.0157% 957 1.3 89 13167 0.648% 76688 76688 3160657 0-0 0.961 15.90 17.9 81 75 60 94 342 44.4 25.055 0.257 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1108 Ribose 16.3174 1663.9 2.7 scans 46% 103 m/z 4.2% 0.0161% 972 0.8 63 5779 79008 69839 2-1 8: 103 307 308 189 277 160 258 309 0.917 16.38 -4.0 84 86 78 85 467 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6131 1684.4 2.6 scans 91% TIC 0.73% 0.115% 1000 1.6 170 33496 0.168% 563185 521297 819430 1-0 0.995 16.68 -4.4 100 99 98 99 497 3.4 0.039 -0.063 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1104 Rhamnose 16.8730 1702.6 3.1 scans 66% TIC 2.7% 0.0163% 1025 1.2 75 8860 0.261% 79769 79769 1273043 0-0 0.970 16.93 -4.3 84 84 87 86 392 10.3 1.853 -0.059 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9245 1706.4 2.6 scans 40% 217 m/z 4.0% 0.0142% 1030 1.0 66 6056 0.131% 69379 69006 638960 1-0 10: 217 319 205 307 103 218 204 206 320 308 0.650 16.99 -4.7 86 88 53 89 422 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9982 1711.8 3.0 scans 73% 73 m/z 1.5% 0.0495% 1037 1.3 114 16324 0.378% 241891 241891 1843717 0-0 20: 73 217 147 319 205 307 103 305 320 129 204 218 308 189 306 321 206 148 243 203 0.909 17.06 -4.7 95 94 89 94 510 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1044 Putrescine 17.1886 1725.7 2.7 scans 80% 174 m/z (73) 0.39% 0.0893% 1055 1.2 152 63120 435995 425693 1-1 17: 174 175 214 176 86 172 200 361 100 130 142 362 173 376 99 114 187 0.987 17.19 0.1 96 97 97 99 376 11.6 0.579 0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1096 Putrescine 17.1886 1725.7 2.7 scans 68% 174 m/z 0.38% 0.0748% 1055 1.2 140 63666 364991 356367 1-1 17: 174 175 214 176 86 172 200 361 100 130 142 362 173 376 99 114 187 0.993 17.25 -4.3 97 95 95 99 458 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3791 1739.6 2.7 scans 76% 292 m/z (345) 1.3% 0.0582% 1073 1.1 122 17707 283975 276480 1-1 20: 292 333 103 217 307 334 293 294 335 319 393 309 308 219 277 511 221 129 218 104 0.986 17.44 -4.7 96 98 96 98 511 9.3 0.582 -0.064 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5685 1753.4 2.6 scans 92% 217 m/z 0.17% 0.262% 1091 1.0 269 144385 0.415% 1279562 1279562 2024186 0-0 20: 217 73 218 147 219 450 191 305 74 232 451 133 75 129 257 148 169 103 452 220 0.996 17.63 -4.6 97 95 96 97 450 41.5 2.369 -0.064 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1088 Glutamine?? 17.6548 1759.7 3.1 scans 87% TIC 0.27% 0.440% 1099 2.0 283 89363 1.20% 2150545 2127845 5853069 1-0 0.944 17.73 -5.2 89 88 92 91 511 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1046 Shikimic acid 18.1272 1794.2 2.7 scans 65% 204 m/z 1.0% 0.0423% 1144 1.0 101 23170 0.0435% 206477 191520 212174 3-1 9: 204 206 205 357 254 462 282 358 373 0.965 18.13 0.2 93 93 85 93 372 13.1 1.696 0.002 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1082 Citric acid 18.2492 1803.2 2.5 scans 74% 273 m/z 0.65% 0.121% 1156 1.0 185 37372 0.135% 594522 557734 658470 2-2 20: 273 147 363 347 375 274 465 364 211 348 275 376 377 149 466 148 305 183 221 365 0.986 18.32 -5.5 97 96 91 97 465 30.2 2.657 -0.072 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1076 Pregnane?? 18.7995 1845.2 3.1 scans 97% 345 m/z 0.013% 5.37% 1208 0.5 1092 1824266 26224307 25607960 1-1 20: 345 73 346 255 147 347 334 204 256 191 435 419 372 133 257 239 148 348 74 537 0.998 18.86 -4.5 100 100 99 100 537 89.4 0.673 -0.058 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1074 Adenine 18.8806 1851.4 3.0 scans 39% 264 m/z 2.8% 0.0111% 1216 1.2 51 8603 0.0796% 54287 49228 388254 1-0 6: 264 265 279 266 192 280 0.968 18.94 -4.5 87 86 80 92 415 6.9 1.848 -0.058 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1050 Fructose 18.9879 1859.6 4.2 scans 97% 73 m/z 0.016% 8.74% 1226 0.4 1222 1531825 42658626 41749739 1-1 20: 73 307 217 103 147 308 277 218 309 133 364 205 189 74 117 219 104 148 191 89 1.000 18.98 0.6 100 99 100 100 364 143.6 1.386 0.008 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1072 Fructose 18.9879 1859.6 4.2 scans 96% 73 m/z (389) 0.015% 8.76% 1226 0.4 1215 1568497 42770934 41859654 1-1 20: 73 307 217 103 147 308 277 218 309 133 364 205 189 74 117 219 104 148 191 89 1.000 19.03 -3.4 98 98 99 100 364 139.7 1.328 -0.045 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1052 Fructose 19.1099 1868.9 3.4 scans 97% 73 m/z 0.019% 5.78% 1238 0.5 1096 1240665 5.80% 28192652 27816816 28289834 1-0 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 262 219 117 89 189 148 104 1.000 19.10 0.5 100 99 100 100 364 131.1 1.436 0.006 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1056 Glucose 19.1562 1872.4 >3 scans 60% TIC 1.0% 0.0437% 1242 1.8 143 24505 15.6% 213349 213349 76089898 0-0 0.992 19.33 -13.4 92 92 90 92 364 11.0 0.596 -0.176 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1054 Galactose 19.2173 1877.1 3.9 scans 65% TIC 1.1% 0.0620% 1248 1.0 141 21371 16.9% 302781 302781 82430723 0-0 0.954 19.22 0.1 95 94 93 98 376 5.8 0.169 0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1064 Mannose 19.3288 1885.6 4.0 scans 98% 319 m/z 0.012% 10.0% 1259 0.3 1339 1968319 48906168 48279873 0-1 20: 319 73 205 147 320 160 217 321 206 103 117 229 133 157 129 189 204 148 74 207 0.998 19.45 -9.6 100 99 99 100 319 543.1 16.506 -0.126 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1059 Glucose 19.5477 1902.4 2.8 scans 95% TIC 0.046% 2.05% 1279 0.7 696 535005 10013870 9232803 2-1 0.998 19.55 -0.3 100 99 99 100 376 28.2 0.165 -0.004 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1061 Lysine 19.6139 1907.7 2.7 scans 86% 317 m/z 0.93% 0.110% 1286 1.1 167 26380 1.07% 538446 524995 5218987 0-1 19: 317 174 73 156 318 128 230 175 434 100 319 86 200 130 176 88 59 115 146 0.990 19.61 0.1 88 83 82 97 434 19.8 1.407 0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1060 Lysine 19.6139 1907.7 2.8 scans 87% TIC 0.90% 0.112% 1286 1.0 168 27159 2.04% 550519 525360 9950217 0-1 0.991 19.69 -6.4 87 83 67 96 479 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7171 1916.0 2.8 scans 89% TIC 0.56% 0.126% 1295 1.0 179 43634 0.356% 615771 592242 1736410 1-0 0.996 19.79 -5.9 91 90 92 91 434 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN BRA4_R~2-N1010 Tyrosine 19.8097 1923.4 3.6 scans 66% TIC 1.4% 0.0278% 1304 1.1 86 16728 0.263% 136081 136081 1282798 0-0 0.931 19.82 -0.7 84 83 73 94 382 8.2 0.915 -0.008 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1056 Ascorbic acid 19.9023 1930.9 2.9 scans 91% TIC 0.50% 0.158% 1313 0.7 192 48523 0.362% 772582 755416 1765676 1-0 0.992 19.99 -6.8 99 98 96 99 449 20.4 1.128 -0.084 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2947 1962.4 2.8 scans 86% TIC 0.41% 0.195% 1350 1.2 220 58657 953104 945672 0-1 0.916 20.30 -0.1 98 99 95 98 433 26.2 1.418 -0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1052 Gluconic acid 2 20.5104 1979.8 >4 scans 77% TIC 2.4% 0.0439% 1371 2.3 83 9990 0.115% 214517 214517 560919 0-0 0.976 20.60 -6.9 86 86 81 86 613 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6899 2078.0 4.1 scans 97% 305 m/z 0.013% 11.6% 1483 0.4 1428 1784102 56596919 56325768 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 367 133 291 129 148 0.998 21.75 -4.9 100 100 100 100 507 115.7 0.659 -0.059 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8625 2092.5 3.1 scans 97% 319 m/z 0.15% 0.690% 1499 1.1 379 157591 3369045 3310083 1-1 20: 319 73 205 147 320 103 217 321 206 117 133 229 74 204 157 148 89 218 129 207 0.996 21.93 -5.6 96 93 96 99 656 8.8 0.054 -0.068 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1897 2120.8 2.6 scans 96% 396 m/z 0.21% 0.333% 1530 1.0 295 115595 0.337% 1627012 1624895 1643737 1-1 20: 396 219 73 397 381 398 220 191 307 382 249 293 399 383 75 74 221 308 147 192 0.990 22.19 0.3 99 97 95 98 396 131.6 19.885 0.004 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6674 2162.5 3.3 scans 91% 204 m/z 0.86% 0.0706% 1576 1.4 121 28535 0.0745% 344496 332521 363378 2-0 19: 204 73 205 217 147 206 361 249 145 117 131 74 218 103 362 129 231 189 219 0.995 22.71 -4.0 97 95 97 99 518 0.0 0.000 -0.047 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN BRA4_R~4-N1012 Spermidine 22.8947 2182.3 3.1 scans 74% 174 m/z 7.6% 0.0157% 1598 1.7 55 3217 0.0163% 76820 72164 79504 0-7 12: 174 200 201 172 86 418 146 100 116 142 175 96 0.966 22.90 -0.5 93 92 92 99 418 9.3 2.874 -0.005 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN WTF2-N1036 C18:0 23.3955 2227.3 3.4 scans 81% 341 m/z 4.7% 0.0241% 1645 2.0 68 5238 0.0287% 117631 110298 139986 1-1 12: 341 117 132 342 129 75 145 57 55 356 69 343 0.979 22.89 45.5 86 93 85 92 356 9.2 1.846 0.507 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN BRA4_R~2-N1006 Spermidine 23.5081 2237.6 2.8 scans 89% 144 m/z 2.2% 0.0522% 1656 1.0 116 10919 254661 254161 2-0 20: 144 174 73 116 156 160 172 86 170 145 142 157 214 175 186 201 130 59 146 154 0.987 23.51 -0.1 95 92 96 100 490 10.5 0.823 -0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1247 2293.9 2.8 scans 86% 204 m/z 1.6% 0.0316% 1714 1.4 88 14796 0.0508% 154444 151015 247780 0-3 14: 204 337 205 217 147 103 219 129 338 206 191 218 339 101 0.988 24.01 10.4 93 93 93 94 490 0.0 0.000 0.115 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6508 2343.7 3.7 scans 92% 73 m/z 0.40% 0.293% 1764 1.0 246 60244 0.365% 1431511 1373986 1780309 0-2 20: 73 331 147 217 191 307 205 421 262 103 305 319 332 422 259 333 148 308 376 218 1.000 24.65 0.1 99 97 98 99 466 15.9 0.416 0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7445 2352.6 2.6 scans 91% 73 m/z 1.3% 0.0724% 1773 1.1 139 18643 0.314% 353138 345658 1531553 0-2 20: 73 217 204 292 147 375 305 103 219 218 205 451 293 233 275 306 376 363 131 148 0.997 24.81 -5.8 95 95 94 95 451 16.4 1.383 -0.061 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4469 2520.0 2.6 scans 96% 73 m/z 0.41% 0.202% 1935 1.1 236 59960 0.239% 988868 938851 1165736 1-3 20: 73 217 204 147 129 218 305 740 175 205 741 273 219 191 361 231 131 117 74 742 0.999 26.52 -7.6 98 97 97 97 740 35.5 2.272 -0.074 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5332 2528.9 3.4 scans 80% TIC 2.2% 0.0538% 1943 1.8 107 10866 0.233% 262488 261076 1136471 1-0 0.916 26.57 -4.2 97 97 88 97 512 40.1 13.940 -0.040 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9057 2567.4 >4 scans 68% TIC 6.6% 0.00848% 1979 2.0 43 3699 0.0287% 41371 37720 139986 0-2 0.970 26.39 52.8 81 89 69 89 459 8.0 3.441 0.512 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1020 Sucrose 27.4107 2620.2 7.6 scans 9.7% 451 m/z (361) 0.047% 2.14% 2027 0.8 456 522043 10459351 10411458 1-0 11: 451 438 439 440 293 441 275 348 433 405 197 0.684 27.46 -5.4 93 96 91 98 437 279.7 37.783 -0.050 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1010 Sucrose 27.4107 2620.2 7.6 scans 98% 451 m/z 0.0077% 21.5% 2027 0.8 1448 3183244 105017977 104537108 1-0 11: 451 438 439 440 293 441 275 348 433 405 197 0.997 27.58 -18.0 100 99 98 99 437 287.2 3.961 -0.168 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1018 Sucrose 27.4191 2621.1 7.6 scans 66% 361 m/z (147) 0.0077% 12.4% 2027 0.5 1183 3183244 14.6% 60554211 59073362 71212341 1-0 20: 361 319 364 272 320 205 229 148 345 259 305 365 332 306 221 333 307 233 317 322 0.921 27.47 -5.4 90 93 72 91 437 288.8 5.995 -0.051 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1014 Sucrose 27.4244 2621.7 >6 scans 88% TIC 0.0077% 16.3% 2028 0.4 1375 3171037 19.5% 79681534 77692046 95112373 1-0 1.000 27.49 -7.0 100 99 99 99 437 282.2 4.244 -0.066 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1016 Sucrose 27.4370 2623.1 7.5 scans 43% 291 m/z (361) 0.016% 8.93% 2029 0.2 955 1519669 43604701 43420801 1-0 20: 291 190 317 303 346 248 83 172 58 61 433 200 208 197 182 178 379 90 240 162 0.963 27.48 -4.2 86 90 92 92 437 16.5 0.000 -0.040 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1008 Sucrose 27.4370 2623.1 7.5 scans 100% 291 m/z 0.0077% 20.6% 2029 0.2 1474 3180142 100748531 100323632 1-0 20: 291 190 317 303 346 248 83 172 58 61 433 200 208 197 182 178 379 90 240 162 0.999 27.59 -16.4 100 99 98 99 437 281.0 3.655 -0.154 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN LQC1-N1006 Trehalose 28.3724 2724.1 2.7 scans 42% 361 m/z 10% 0.00247% 2118 1.4 26 2449 0.0113% 12086 12086 55116 0-0 2: 361 362 0.826 28.47 -10.8 84 86 52 86 565 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel polar\GLAU_REP2.FIN GUA35_L1-N1020 Galactinol 30.4916 2966.0 3.1 scans 84% 204 m/z 4.9% 0.0132% 2319 1.2 53 4975 0.128% 64804 61497 624327 2-0 10: 204 217 191 205 129 305 103 433 206 361 0.985 30.55 -6.4 85 85 85 86 641 5.4 1.033 -0.053 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN EXBLK5S-N1006 Contamination 6.5992 1061.8 2.7 scans 64% 207 m/z 0.92% 0.0850% 49 1.4 109 26845 0.135% 438112 201376 695274 8-23 12: 207 295 208 191 209 296 279 193 177 192 210 247 0.975 6.63 -1.5 98 97 93 98 295 32.8 9.024 -0.026 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.7897 1073.1 >6 scans 48% 117 m/z 4.0% 0.0252% 67 0.7 61 6119 0.0958% 130206 112104 493387 0-8 5: 117 147 191 73 190 0.949 6.82 -1.8 92 90 89 98 295 2.4 0.000 -0.031 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1194 Alanine 7.3842 1108.3 >5 scans 89% TIC 0.24% 0.276% 123 0.0 191 99285 0.555% 1422573 1217978 2858350 4-0 0.993 7.40 -1.2 98 97 95 98 283 4.8 0.063 -0.020 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN A-KETO~2-N1006 Contamination?? 7.9040 1139.1 3.1 scans 76% TIC 2.1% 0.0207% 173 1.4 78 11521 0.307% 106859 106859 1581105 0-0 0.981 7.96 -3.1 98 98 96 98 156 41.3 28.268 -0.053 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1192 Contamination 7.9860 1144.0 3.0 scans 54% 147 m/z 5.3% 0.0121% 181 1.0 60 4645 0.0858% 62521 62521 441886 0-0 11: 147 73 235 133 152 220 86 72 59 100 148 0.940 7.99 -0.2 91 92 85 92 235 12.0 4.057 -0.003 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1188 Contamination 8.3722 1166.9 4.5 scans 81% TIC 2.2% 0.0393% 217 1.6 81 11029 0.0936% 202474 171104 482057 4-0 0.985 8.41 -2.5 98 98 82 99 369 23.3 8.354 -0.043 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1190 Contamination 8.4911 1173.9 >4 scans 61% TIC 4.5% 0.00847% 229 1.4 52 5491 0.0706% 43650 43650 363603 0-0 0.934 8.48 0.4 89 90 84 91 309 4.8 0.859 0.007 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1186 Phosphate 8.5405 1176.9 2.4 scans 65% 241 m/z 1.1% 0.0252% 233 1.2 88 21425 0.0258% 129946 124600 132875 0-1 13: 241 242 211 256 133 163 243 135 195 119 137 107 98 0.874 8.56 -1.1 96 96 86 98 299 0.0 0.000 -0.020 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1184 Valine 9.1655 1213.7 3.4 scans 90% 144 m/z 0.24% 0.206% 293 0.7 200 99356 1064190 879434 12-7 18: 144 73 218 145 147 219 146 100 74 59 132 133 220 128 246 148 129 149 0.995 9.19 -1.3 99 98 98 99 218 57.5 8.245 -0.022 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1180 Benzoic acid 9.7327 1246.9 3.2 scans 72% 179 m/z 3.8% 0.0194% 347 1.1 63 6485 0.0195% 99965 94120 100429 13-2 8: 179 105 135 77 180 194 202 136 0.924 9.76 -1.6 90 89 85 96 194 9.1 2.086 -0.026 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1178 Ethanolamine 9.9978 1262.4 3.9 scans 93% TIC 0.15% 0.356% 372 1.0 253 159686 6.71% 1834531 1650922 34557713 2-0 0.997 10.03 -2.1 100 99 98 99 262 26.7 1.113 -0.036 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN VEN77_S6-N1002 Glycerol 10.1030 1268.6 4.2 scans 82% 73 m/z 0.010% 5.68% 382 0.5 1019 2471235 5.99% 29258361 27725368 30849583 1-2 20: 73 133 207 191 74 75 131 59 119 134 115 189 72 192 151 105 221 313 116 165 0.875 10.09 0.6 99 98 95 99 299 605.5 35.468 0.009 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LACTIC~1-N1034 Glycerol 10.1030 1268.6 4.2 scans 37% 73 m/z (299) 0.030% 2.63% 382 0.5 685 810843 2.78% 13587388 12875477 14317503 1-2 20: 73 133 207 191 74 75 131 59 119 134 115 189 72 192 151 105 221 313 116 165 0.952 10.11 -0.4 90 91 90 97 293 40.6 0.351 -0.007 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2419 1276.7 2.5 scans 87% 73 m/z 0.72% 0.0503% 395 1.0 123 34270 259264 243017 1-1 19: 73 198 77 211 199 70 74 239 381 289 212 72 63 200 92 143 142 56 59 0.990 10.24 0.1 99 98 96 98 381 13.3 1.173 0.002 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1003 Isoleucine 10.4387 1288.2 3.6 scans 89% TIC 0.27% 0.171% 414 1.1 196 89568 3.15% 882502 881334 16223069 1-0 0.997 10.45 -0.4 99 98 97 99 232 29.4 2.256 -0.006 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1012 Proline 10.5292 1293.5 3.1 scans 95% 142 m/z 0.013% 2.38% 422 0.6 747 1823880 2.87% 12301915 12066044 14781019 2-1 20: 142 73 143 216 147 144 75 74 59 72 217 66 133 148 100 218 244 131 70 101 0.995 10.53 -0.3 99 98 98 100 216 140.5 3.557 -0.004 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1014 Maleic acid 10.5923 1297.2 2.7 scans 86% 147 m/z 0.11% 0.295% 428 0.9 298 224467 2.98% 1520897 1520897 15347539 0-0 19: 147 73 245 148 75 149 83 246 133 74 115 84 126 170 247 59 215 66 58 0.988 10.60 -0.6 99 98 97 98 245 70.8 5.638 -0.010 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1170 Glycine 10.6533 1300.8 2.9 scans 80% 174 m/z 0.19% 0.184% 434 1.0 233 123794 1.52% 948855 948855 7828275 0-0 18: 174 73 248 175 86 133 176 276 100 249 59 250 74 130 158 277 131 117 0.950 10.69 -2.0 98 98 91 97 276 36.2 2.410 -0.034 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7449 1306.3 3.0 scans 94% TIC 0.020% 2.23% 443 0.9 692 1185536 11518035 10789261 1-2 0.993 10.76 -0.8 99 97 96 99 251 166.4 5.797 -0.013 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1168 Glyceric acid 11.0132 1322.5 2.6 scans 95% 73 m/z 0.23% 0.275% 468 1.2 279 107238 0.280% 1417016 1366597 1442051 1-4 20: 73 147 292 189 133 103 293 205 102 190 117 148 75 74 307 294 149 101 59 191 0.995 11.05 -2.4 100 99 99 100 292 83.9 9.077 -0.041 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0753 1326.2 2.4 scans 46% 184 m/z 8.6% 0.00608% 474 1.0 43 2868 0.00969% 31357 31357 49905 0-0 4: 184 134 285 174 0.956 11.06 0.7 90 91 72 91 285 15.4 12.975 0.012 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1018 Uracil 11.1332 1329.7 2.6 scans 61% 241 m/z 5.4% 0.0109% 480 1.4 53 4565 56242 49224 3-7 8: 241 256 255 99 242 257 113 258 0.925 11.15 -0.9 96 94 89 100 256 17.9 11.543 -0.015 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1164 Itaconic acid 11.2121 1334.4 2.6 scans 72% 147 m/z 2.2% 0.0185% 487 1.0 73 11137 0.117% 95765 89130 602571 2-1 8: 147 148 215 259 149 97 67 68 0.960 11.25 -2.5 86 83 85 93 259 13.8 3.554 -0.040 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1162 Fumaric acid 11.3573 1343.2 2.5 scans 95% 245 m/z 0.13% 0.290% 501 1.0 297 177021 1496114 1398768 2-1 20: 245 147 73 246 75 143 247 83 240 133 148 115 149 155 74 53 84 127 59 157 1.000 11.39 -2.1 98 96 97 97 245 162.1 29.777 -0.036 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4530 1348.9 3.0 scans 73% 57 m/z 1.2% 0.0371% 510 1.2 96 20285 0.0991% 191398 178767 510383 3-0 15: 57 97 145 115 127 55 129 56 69 111 109 128 71 83 98 0.974 11.45 0.4 92 90 88 95 145 28.6 8.988 0.007 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1160 Serine 11.5225 1353.1 2.7 scans 98% 204 m/z 0.024% 2.39% 517 0.6 792 998169 12358644 12102360 1-1 20: 204 218 73 205 147 100 219 278 188 206 306 133 75 220 74 116 189 59 216 148 0.998 11.56 -2.1 100 99 99 100 306 85.5 1.169 -0.035 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1024 Threonine 11.9212 1377.1 2.6 scans 98% 73 m/z 0.091% 0.830% 555 0.8 471 269616 4279660 4252056 1-0 20: 73 218 219 117 291 292 147 101 220 57 75 100 74 293 203 221 128 133 320 132 0.999 11.92 0.0 100 98 99 100 320 44.7 0.902 0.000 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1154 Threonine 12.0033 1382.1 2.5 scans 35% 219 m/z 17% 0.00340% 562 1.3 31 1423 17540 17540 1-0 4: 219 218 117 291 0.845 11.96 2.6 84 88 67 87 320 0.0 0.000 0.043 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1150 Citrulline 13.0292 1445.9 2.6 scans 79% 128 m/z 1.2% 0.0808% 660 1.1 150 20574 416354 399327 1-2 17: 128 243 115 141 100 169 70 129 244 142 153 258 114 203 245 101 216 0.970 13.08 -2.9 95 94 95 98 258 15.6 1.078 -0.047 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1148 Glutamine?? 13.3101 1463.5 3.0 scans 96% 155 m/z 0.10% 0.457% 687 0.6 329 247120 2358704 2347512 1-0 20: 155 73 147 156 229 139 75 59 74 100 157 148 257 230 131 133 84 103 72 149 0.998 13.35 -2.4 98 96 99 99 257 26.4 0.645 -0.037 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1146 Malic acid 13.5458 1478.4 2.5 scans 98% 73 m/z 0.033% 1.66% 709 0.7 690 731167 8593983 8529451 1-0 20: 73 147 233 245 133 189 75 190 148 175 335 191 55 74 101 149 234 217 265 59 0.999 13.62 -4.4 100 99 99 99 350 16.5 0.057 -0.071 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1144 Contamination Parabanica acid 13.7531 1491.4 3.7 scans 83% TIC 0.56% 0.176% 729 0.7 200 43524 0.568% 910243 792535 2925303 0-1 0.994 13.81 -3.4 97 96 94 97 243 80.4 16.093 -0.053 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1142 Erythritol/Threitol 13.8415 1497.0 2.5 scans 72% 217 m/z 0.54% 0.0822% 737 1.2 159 45262 0.125% 423561 416636 643773 1-0 19: 217 147 205 103 204 117 307 189 191 218 133 206 293 148 219 116 131 101 190 0.876 13.89 -3.1 96 96 95 98 320 13.0 0.667 -0.048 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN METHIO~1-N1066 Methionine 3TMS STD 14.0109 1508.1 3.1 scans 31% 176 m/z (232) 0.40% 0.102% 753 1.1 153 61128 530423 484431 1-2 12: 176 128 177 178 293 250 160 251 252 295 179 91 0.943 14.06 -3.3 82 86 63 85 293 30.2 3.908 -0.049 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0320 1509.5 2.5 scans 33% 232 m/z (73) 0.10% 0.310% 755 1.0 295 234435 1598779 1501864 1-1 18: 232 233 218 100 234 202 188 306 216 117 292 334 204 101 235 349 189 307 0.922 14.02 1.0 92 93 88 99 258 8.1 0.000 0.015 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0383 1509.9 3.7 scans 77% 73 m/z (232) 0.051% 1.13% 756 0.9 469 478394 5864444 5822255 1-0 15: 73 75 74 133 148 59 149 131 57 60 98 244 76 215 184 0.986 14.11 -4.8 96 97 96 99 273 18.7 0.158 -0.072 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0414 1510.1 3.6 scans 77% 147 m/z 0.056% 1.10% 756 0.7 470 437613 5668116 5658198 1-0 19: 147 148 72 231 59 58 86 71 57 99 98 54 87 159 215 126 97 229 186 0.800 14.03 0.8 96 95 97 99 258 86.4 3.393 0.011 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1140 Aspartic acid 14.0414 1510.1 3.6 scans 68% 147 m/z (156) 0.076% 0.987% 756 0.7 442 325060 5087007 5078106 1-0 19: 147 148 72 231 59 58 86 71 57 99 98 54 87 159 215 126 97 229 186 0.939 14.09 -3.0 96 97 95 99 349 20.7 0.218 -0.046 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1032 GABA 14.2077 1521.1 2.5 scans 97% 174 m/z 0.017% 2.85% 772 0.7 887 1386061 14686725 14670696 1-0 20: 174 304 73 147 175 305 86 176 75 246 306 143 100 216 59 172 133 148 130 74 0.991 14.19 1.3 100 98 99 99 304 282.5 10.193 0.020 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3634 1531.5 2.5 scans 33% 292 m/z 6.2% 0.00987% 787 1.0 54 3978 50865 48960 1-1 4: 292 220 293 196 0.913 14.69 -21.7 80 81 73 86 409 4.1 0.576 -0.329 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6096 1547.8 2.5 scans 80% 73 m/z 0.94% 0.0616% 810 1.1 133 26289 0.0985% 317671 297862 507293 0-1 20: 73 292 147 220 205 293 158 103 117 294 221 319 148 133 74 271 291 206 102 149 0.942 14.62 -0.8 93 91 90 95 409 9.2 0.475 -0.011 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1126 Pyrazine 15.0757 1578.7 2.7 scans 90% 73 m/z 0.44% 0.195% 854 1.0 228 55639 1008424 978588 1-0 20: 73 227 344 301 345 147 154 228 302 139 346 211 126 303 229 74 212 329 112 59 0.973 15.13 -3.7 100 99 98 99 344 68.8 9.094 -0.056 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1120 Glutamic acid 15.5092 1607.8 2.6 scans 73% 246 m/z 1.2% 0.0354% 896 1.0 98 19519 0.0366% 182373 182373 188497 0-0 9: 246 128 248 348 230 156 363 56 349 0.964 15.56 -3.5 97 97 91 97 363 11.6 1.387 -0.051 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1118 Phenylalanine 15.6155 1615.2 2.7 scans 89% 218 m/z 0.13% 0.449% 906 1.0 338 176995 2317481 2302117 0-2 17: 218 192 73 219 147 91 100 266 220 74 132 65 194 294 130 59 160 0.993 15.66 -3.0 90 89 86 92 294 25.9 0.586 -0.043 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1040 Xylose 16.0080 1642.4 2.6 scans 81% 73 m/z 1.2% 0.0485% 943 0.9 119 19445 0.0809% 250244 227209 416650 2-1 20: 73 103 217 307 147 204 308 277 189 160 218 104 74 309 201 89 148 191 105 59 0.975 16.00 0.3 96 96 94 97 307 31.4 6.994 0.004 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1108 Ribose 16.3194 1664.1 2.7 scans 92% TIC 0.17% 0.432% 973 0.9 329 144018 3.61% 2226923 2140994 18592153 0-2 0.991 16.38 -3.8 94 91 94 98 467 9.9 0.091 -0.056 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6151 1684.6 2.6 scans 91% TIC 0.49% 0.159% 1001 1.4 208 50133 0.230% 823169 768150 1184542 1-0 0.994 16.68 -4.2 100 99 99 99 497 6.5 0.098 -0.061 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1104 Rhamnose 16.8718 1702.5 2.9 scans 66% TIC 1.8% 0.0262% 1025 1.1 95 13345 0.331% 134974 134974 1704710 0-0 0.937 16.93 -4.4 82 80 85 89 392 10.1 1.140 -0.060 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9244 1706.4 2.6 scans 59% 217 m/z 2.1% 0.0326% 1030 1.0 100 11687 0.0906% 167904 166360 466606 0-1 16: 217 319 103 307 205 320 218 129 308 204 243 191 206 189 219 309 0.867 16.99 -4.7 91 91 85 92 422 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9970 1711.7 3.0 scans 74% 73 m/z 0.99% 0.0724% 1037 1.2 136 25001 0.516% 373105 373105 2657493 0-0 20: 73 217 147 205 319 307 103 305 189 129 218 204 320 206 219 308 306 133 74 243 0.877 17.06 -4.8 94 94 90 94 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1044 Putrescine 17.1875 1725.6 2.7 scans 72% 174 m/z (73) 0.53% 0.0642% 1055 1.2 130 46648 331058 318656 1-1 11: 174 175 214 176 86 172 200 361 362 126 114 0.983 17.19 -0.0 95 96 96 99 376 9.3 0.514 -0.000 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1096 Putrescine 17.1875 1725.6 2.7 scans 56% 174 m/z 0.52% 0.0495% 1055 1.2 115 47179 255057 245502 1-1 11: 174 175 214 176 86 172 200 361 362 126 114 0.962 17.25 -4.4 96 96 92 98 458 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3800 1739.6 3.1 scans 79% TIC 1.0% 0.0738% 1073 1.6 133 23186 0.511% 380355 362051 2631742 2-0 0.955 17.44 -4.7 98 98 96 98 511 9.0 0.455 -0.063 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5684 1753.4 2.8 scans 92% TIC 0.15% 0.295% 1091 1.0 282 154979 0.575% 1522029 1522029 2961354 0-0 0.985 17.63 -4.6 96 95 95 97 450 42.9 2.323 -0.064 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1088 Glutamine?? 17.6494 1759.3 2.6 scans 73% 156 m/z (117) 0.41% 0.193% 1099 1.2 227 59836 995163 932511 1-4 16: 156 155 245 157 347 128 203 246 114 145 139 247 301 100 362 115 0.977 17.73 -5.6 90 91 94 93 511 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1046 Shikimic acid 18.1261 1794.1 2.6 scans 59% 204 m/z 1.1% 0.0389% 1144 1.0 99 22353 200376 180861 3-1 11: 204 206 357 254 462 447 358 331 373 167 282 0.947 18.13 0.1 89 90 80 91 372 12.2 1.523 0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1082 Citric acid 18.2513 1803.4 3.7 scans 77% TIC 0.30% 0.287% 1156 1.5 256 80827 0.447% 1480049 1480049 2302131 0-0 0.884 18.32 -5.3 97 97 94 99 465 37.2 2.105 -0.070 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1080 Citrulline or Ornithine 18.3344 1809.7 2.7 scans 59% 157 m/z 1.8% 0.0345% 1164 1.0 101 13369 0.0802% 177784 176656 413044 1-1 15: 157 256 142 257 373 158 141 70 99 258 215 127 140 115 240 0.884 18.40 -5.1 82 79 79 92 416 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN ME-ADG~1-N1046 Methyl-a-glycopuranose 18.6890 1836.8 2.7 scans 67% 204 m/z 0.84% 0.0569% 1198 1.1 126 29237 293044 292003 1-0 11: 204 217 205 133 206 218 89 134 243 203 305 0.970 19.12 -32.9 86 89 89 91 467 0.0 0.000 -0.432 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1076 Pregnane?? 18.7942 1844.8 2.6 scans 95% 345 m/z (301) 0.015% 4.04% 1208 0.6 1036 1647498 20856980 19035054 1-1 20: 345 73 346 255 147 347 334 191 204 256 435 372 419 133 257 239 148 348 74 75 1.000 18.86 -4.9 99 100 99 100 537 82.8 0.642 -0.064 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1074 Adenine 18.8794 1851.3 3.4 scans 80% TIC 0.37% 0.108% 1216 1.5 161 65629 8.90% 558438 558438 45836609 0-0 0.992 18.94 -4.6 95 92 81 97 415 5.8 0.131 -0.060 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1050 Fructose 18.9815 1859.1 3.8 scans 97% 73 m/z 0.019% 6.35% 1226 0.5 1104 1301054 32719672 31535469 1-1 20: 73 307 217 103 147 308 277 218 133 309 364 205 189 117 74 219 104 89 148 191 1.000 18.98 0.1 100 99 100 100 364 129.8 1.388 0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1052 Fructose 19.1036 1868.4 3.6 scans 96% 73 m/z 0.024% 4.71% 1237 0.6 972 1005656 11.1% 24265626 22371690 57167006 2-5 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 262 219 117 89 189 148 104 0.999 19.10 -0.0 100 99 100 100 364 115.0 1.405 -0.000 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1056 Glucose 19.1530 1872.2 >2 scans 43% TIC 0.95% 0.0244% 1242 1.7 139 25883 9.89% 126053 126053 50935288 0-0 0.973 19.33 -13.6 91 91 86 90 364 8.8 0.398 -0.179 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1066 Glucose 19.1562 1872.4 >4 scans 26% 319 m/z (73) 1.0% 0.0397% 1242 1.2 109 22841 6.52% 204671 204671 33579179 0-0 11: 319 160 205 320 206 229 161 157 291 274 162 0.869 19.40 -18.5 83 85 75 85 319 58.2 28.359 -0.243 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1064 Mannose 19.3203 1884.9 3.7 scans 98% 319 m/z 0.012% 8.99% 1258 0.5 1350 1961645 10.4% 46304530 46304530 53561880 0-0 20: 319 73 205 147 160 320 217 321 103 206 117 229 133 129 157 74 189 148 207 204 0.998 19.45 -10.3 100 99 99 100 319 539.5 16.024 -0.135 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1059 Glucose 19.5465 1902.3 3.1 scans 94% TIC 0.044% 2.50% 1279 0.4 696 550437 3.32% 12915898 11924388 17098600 2-1 0.992 19.55 -0.4 100 99 99 100 376 28.5 0.169 -0.005 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1060 Lysine 19.6181 1908.0 2.6 scans 96% TIC 0.10% 0.875% 1286 0.9 503 229229 3.57% 4507477 4344209 18386145 0-4 0.998 19.69 -6.1 86 80 67 96 479 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7138 1915.7 2.8 scans 81% TIC 0.91% 0.0791% 1295 0.7 148 27067 0.540% 407829 407829 2781098 0-0 0.985 19.79 -6.2 92 91 89 94 434 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1056 Ascorbic acid 19.9011 1930.8 2.7 scans 54% 332 m/z 1.5% 0.0412% 1313 0.8 104 15951 0.0454% 212699 201602 233818 0-1 11: 332 374 449 334 345 359 361 260 360 375 303 0.836 19.99 -6.9 92 93 86 95 449 12.5 1.427 -0.085 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2936 1962.3 2.8 scans 89% 73 m/z 0.32% 0.236% 1350 1.1 250 75969 1217644 1198863 0-1 20: 73 217 147 394 103 307 333 395 218 433 277 305 308 74 189 148 435 117 393 133 0.945 20.30 -0.2 98 99 97 98 433 27.6 1.217 -0.002 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN GLAU_R~4-N1011 UNKp_Ntb Sugar 20.3min 1963 20.3009 1962.9 2.9 scans 37% 396 m/z 1.5% 0.0900% 1351 1.0 153 15572 463887 429528 1-1 10: 396 219 397 381 398 220 249 293 135 399 0.432 20.30 0.2 83 85 37 84 433 26.5 2.985 0.003 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1052 Gluconic acid 2 20.5093 1979.7 >4 scans 54% TIC 5.9% 0.00950% 1371 0.9 68 4127 0.150% 48954 48954 772527 0-0 0.932 20.60 -7.0 84 85 74 85 613 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1050 Gluconic acid 20.5587 1983.7 >4 scans 59% TIC 4.1% 0.0143% 1375 0.9 65 5932 0.165% 74118 74118 849780 0-0 0.885 20.65 -7.2 90 91 81 90 613 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN WTF2-N1038 C16:0 21.1353 2031.4 2.8 scans 82% 313 m/z 1.9% 0.0451% 1430 1.2 107 12535 232784 227427 0-6 18: 313 117 75 132 129 314 145 57 55 328 131 116 69 315 285 201 74 56 0.949 20.62 43.1 87 92 91 96 328 11.9 1.239 0.518 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1040 myo-Inositol 21.6930 2078.2 4.3 scans 54% 305 m/z (318 58) 0.016% 6.72% 1483 0.3 1084 1513719 34641212 34280606 1-0 20: 305 217 73 147 191 306 319 265 204 307 432 218 433 320 129 133 192 148 219 221 0.897 21.78 -7.4 83 89 94 92 378 13.6 0.000 -0.088 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6930 2078.2 4.3 scans 98% 305 m/z 0.013% 12.0% 1483 0.3 1458 1862357 62142608 61495719 1-0 20: 305 217 73 147 191 306 319 265 204 307 432 218 433 320 129 133 192 148 219 221 0.998 21.75 -4.7 100 100 99 100 507 116.0 0.635 -0.056 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1044 myo-Inositol 21.6962 2078.5 4.3 scans 42% 305 m/z (217) 0.013% 5.33% 1483 0.3 962 1822912 27459836 27333250 1-0 20: 305 318 306 319 432 433 367 320 291 393 221 293 368 292 394 343 369 419 317 230 0.876 21.77 -5.9 89 89 85 96 612 14.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8645 2092.6 3.2 scans 96% 319 m/z 0.11% 0.926% 1500 0.9 440 220968 4771935 4533118 2-3 20: 319 73 205 147 320 217 103 321 206 117 204 74 229 148 157 129 89 263 291 376 0.998 21.93 -5.5 95 92 96 99 656 10.7 0.059 -0.066 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1875 2120.6 2.5 scans 95% 396 m/z 0.18% 0.336% 1530 1.1 315 130601 0.341% 1734643 1690597 1756212 1-1 19: 396 219 73 397 381 398 191 220 307 382 249 293 75 383 399 74 308 192 221 0.996 22.19 0.1 98 96 94 98 396 139.2 19.555 0.002 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6610 2161.9 3.3 scans 88% 204 m/z 0.67% 0.0892% 1575 1.5 138 36865 0.132% 459894 415451 679824 3-0 19: 204 73 205 147 217 249 206 361 131 117 218 191 74 133 103 362 263 129 149 0.994 22.71 -4.6 96 94 96 99 518 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN BRA4_R~4-N1012 Spermidine 22.8925 2182.1 3.1 scans 77% 200 m/z 5.1% 0.0251% 1597 1.6 75 4849 0.0319% 129578 126003 164291 1-0 14: 200 174 201 172 418 86 160 84 146 175 186 100 59 116 0.966 22.90 -0.7 90 86 85 99 418 11.6 2.408 -0.007 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN WTF2-N1036 C18:0 23.3912 2226.9 2.9 scans 85% 341 m/z 2.7% 0.0352% 1645 1.5 89 9027 0.0410% 181310 172074 211157 0-4 11: 341 117 75 132 145 129 55 57 131 201 69 0.964 22.89 45.1 88 95 89 95 356 11.9 1.805 0.502 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN BRA4_R~2-N1006 Spermidine 23.5049 2237.3 2.8 scans 80% 144 m/z 2.6% 0.0392% 1655 1.0 101 9383 0.0433% 202188 201760 223003 1-0 19: 144 174 116 156 160 86 170 172 100 145 201 157 142 130 186 154 146 214 161 0.921 23.51 -0.4 92 88 93 99 490 8.0 0.632 -0.004 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1225 2293.7 2.6 scans 96% 204 m/z 0.034% 1.51% 1714 0.9 648 724777 7789389 7296113 1-1 20: 204 73 217 147 205 337 103 129 206 218 219 361 338 191 133 74 203 148 75 131 0.999 24.18 -5.4 98 96 98 99 581 14.3 0.049 -0.059 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1028 Glycerolgalactose 24.5666 2335.7 >3 scans 61% TIC 2.6% 0.00945% 1756 1.7 59 9323 0.478% 48697 48697 2461786 0-0 0.947 24.01 52.2 80 89 77 88 490 0.0 0.000 0.557 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6486 2343.5 3.3 scans 93% 73 m/z 0.22% 0.456% 1764 1.1 327 108763 0.595% 2353157 2300772 3064358 0-1 20: 73 147 191 331 217 421 262 103 307 205 319 305 332 259 422 148 308 333 376 204 0.999 24.65 -0.1 97 94 97 99 466 21.1 0.417 -0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7412 2352.3 2.6 scans 91% 73 m/z 0.83% 0.107% 1773 1.0 178 29672 0.545% 555180 520610 2806849 1-2 20: 73 217 204 147 292 375 305 103 219 218 205 451 129 376 293 233 363 306 275 191 0.997 24.81 -6.1 94 93 95 96 451 21.6 1.473 -0.064 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4458 2519.9 2.7 scans 94% 73 m/z 0.52% 0.158% 1935 0.9 206 47210 0.237% 816389 742109 1220593 4-2 20: 73 217 204 147 129 218 740 175 305 205 741 273 131 219 742 191 74 361 232 117 0.999 26.52 -7.7 98 97 96 97 740 31.0 2.260 -0.075 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5310 2528.7 2.8 scans 59% 512 m/z 2.0% 0.0447% 1943 1.0 110 11830 230488 221165 1-1 17: 512 455 513 247 456 57 483 514 457 349 263 484 423 497 248 383 458 0.937 26.57 -4.4 96 96 85 96 512 41.9 14.608 -0.042 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN WTF2-N1028 C16:0-glycerol 26.8972 2566.5 >3 scans 63% TIC 5.5% 0.00689% 1978 1.2 47 4434 0.0319% 35526 35526 164291 0-0 0.929 26.39 51.9 83 91 64 91 459 8.0 2.859 0.503 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN LQC1-N1014 Sucrose 27.3917 2618.2 3.5 scans 97% 361 m/z 0.0083% 8.76% 2025 0.6 1380 2964288 45163846 44883607 1-0 20: 361 73 362 217 437 363 147 271 103 451 438 169 129 218 319 243 191 439 364 452 1.000 27.49 -10.5 100 100 99 100 437 281.7 4.195 -0.098 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN GUA35_L1-N1020 Galactinol 30.6314 2982.6 3.1 scans 91% 204 m/z 1.4% 0.0385% 2333 0.9 93 17151 0.0464% 198579 179943 238968 0-5 20: 204 73 217 205 191 147 206 361 305 129 433 218 103 265 319 293 133 434 74 362 0.989 30.55 10.2 83 83 90 83 641 0.0 0.000 0.086 G:\GCMS data\Nicotiana Panel polar\GLAU_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7015 3109.7 7.3 scans 93% 204 m/z 1.8% 0.0914% 2435 3.7 88 13323 471149 447949 1-8 20: 204 217 205 73 243 129 337 103 206 218 598 147 191 362 305 203 189 219 271 148 0.987 31.68 3.1 93 93 88 93 597 16.5 3.497 0.026 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN EXBLK5S-N1006 Contamination 6.3658 1047.9 2.9 scans 65% 207 m/z 1.1% 0.0433% 27 1.4 93 22076 291905 197920 8-7 14: 207 73 295 208 209 191 296 297 279 193 192 189 210 133 0.970 6.63 -15.4 97 96 92 98 295 28.1 9.109 -0.259 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8319 1075.6 12.2 scans 44% 147 m/z 4.5% 0.0168% 71 0.5 51 5455 0.0350% 113452 104056 235635 0-3 3: 147 117 190 0.969 6.82 0.7 88 85 87 98 295 5.6 1.234 0.011 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1194 Alanine 7.4138 1110.1 9.3 scans 72% 116 m/z 0.93% 0.0849% 126 0.7 89 26342 0.0969% 572065 551916 652371 0-7 2: 116 190 0.976 7.40 0.6 96 96 94 97 283 3.7 0.168 0.010 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9283 1140.6 2.7 scans 71% 156 m/z 2.0% 0.0173% 175 1.5 73 12313 0.0731% 117122 109434 492140 1-1 6: 156 75 55 157 54 61 0.973 7.96 -1.6 99 99 96 98 156 39.8 29.361 -0.029 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1192 Contamination 8.0104 1145.4 2.7 scans 80% 147 m/z 1.5% 0.0288% 183 0.9 101 15840 0.0689% 194507 189447 463863 2-0 19: 147 73 133 220 235 146 59 148 72 100 86 89 103 160 149 74 236 131 70 0.993 7.99 1.2 99 98 97 99 235 18.7 3.432 0.021 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1188 Contamination 8.3787 1167.3 4.4 scans 75% TIC 2.4% 0.0233% 218 2.2 70 9943 0.0583% 157081 155282 392500 3-0 0.962 8.41 -2.1 98 98 82 99 369 20.2 8.251 -0.036 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1190 Contamination 8.4944 1174.1 3.0 scans 64% 73 m/z 3.2% 0.0108% 229 1.2 58 7684 0.0255% 73031 73031 171677 0-0 10: 73 140 211 198 77 70 69 126 186 215 0.959 8.48 0.6 94 94 90 94 309 6.1 1.084 0.010 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1186 Phosphate 8.5596 1178.0 2.4 scans 67% 241 m/z 1.5% 0.0149% 235 1.2 73 15709 100324 98722 0-2 9: 241 242 211 163 133 256 135 243 195 0.903 8.56 -0.0 93 91 87 97 299 0.0 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1184 Valine 9.1794 1214.5 3.6 scans 68% 144 m/z (156) 2.5% 0.0141% 294 0.7 55 9543 0.0232% 95194 85067 156192 6-4 5: 144 73 218 145 219 0.958 9.19 -0.5 95 97 91 97 218 16.9 9.559 -0.009 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1180 Benzoic acid 9.7465 1247.7 3.1 scans 67% 179 m/z 3.6% 0.0115% 348 0.9 55 6806 77513 70528 2-2 7: 179 105 135 77 180 136 194 0.968 9.76 -0.8 92 90 86 96 194 8.8 2.578 -0.012 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1178 Ethanolamine 10.0012 1262.6 4.5 scans 81% TIC 1.5% 0.0294% 372 0.8 76 16138 2.76% 198576 166705 18581470 5-0 0.971 10.03 -1.9 96 95 94 97 262 8.6 1.269 -0.033 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN VEN77_S6-N1002 Glycerol 10.1022 1268.5 3.2 scans 94% 299 m/z 0.010% 3.01% 382 0.5 874 2303020 20325424 18986473 1-1 20: 299 300 314 73 301 133 283 211 315 207 147 193 191 316 302 135 225 74 284 115 0.988 10.09 0.5 100 99 96 100 299 543.7 38.952 0.008 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LACTIC~1-N1034 Glycerol 10.1074 1268.8 3.1 scans 3.6% 205 m/z (299) 0.39% 0.122% 382 0.7 172 62156 825652 776840 8-1 11: 205 103 117 206 218 204 129 175 219 220 294 0.560 10.11 -0.2 86 96 57 93 293 13.7 0.632 -0.003 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2453 1276.9 2.4 scans 88% 73 m/z 0.58% 0.0493% 395 1.1 129 42457 332179 318219 1-1 19: 73 198 77 211 70 199 74 212 289 72 239 200 381 63 142 143 92 170 56 0.987 10.24 0.3 99 98 97 99 381 13.8 1.143 0.005 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1176 Isoleucine 10.4410 1288.4 2.9 scans 30% 158 m/z 2.5% 0.00717% 414 0.7 46 9643 0.0120% 48327 46362 80789 0-2 4: 158 159 232 160 0.968 10.46 -1.0 86 86 63 87 260 0.0 0.000 -0.018 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1012 Proline 10.5336 1293.8 2.9 scans 96% 142 m/z 0.017% 1.40% 423 0.6 613 1400588 1.53% 9433953 9047670 10300597 4-0 20: 142 73 143 216 147 144 75 72 74 59 66 217 133 100 148 244 218 101 170 68 0.995 10.53 -0.0 100 98 99 100 216 114.3 3.501 0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1014 Maleic acid 10.5956 1297.4 2.9 scans 89% TIC 0.20% 0.131% 429 0.9 206 119307 2.84% 884001 884001 19120063 0-0 0.984 10.60 -0.4 99 98 99 99 245 48.1 5.438 -0.006 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1170 Glycine 10.6588 1301.1 3.3 scans 73% TIC 0.70% 0.0350% 435 1.1 118 35238 2.35% 235791 235791 15821179 0-0 0.992 10.69 -1.7 99 98 97 99 276 17.6 2.236 -0.028 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7461 1306.4 2.8 scans 93% 147 m/z 0.025% 1.25% 443 0.8 589 969780 8458139 7744953 2-1 20: 147 73 251 148 76 149 132 58 74 133 252 177 150 176 118 59 253 62 72 134 0.990 10.76 -0.7 99 97 96 99 251 139.1 5.605 -0.012 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1168 Glyceric acid 11.0176 1322.7 2.5 scans 93% 73 m/z 0.43% 0.113% 469 1.0 188 56687 0.113% 762146 703481 760763 3-4 20: 73 147 292 189 133 205 103 293 102 190 307 117 148 294 75 74 149 59 101 191 0.997 11.05 -2.2 99 98 98 99 292 56.6 9.060 -0.036 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0818 1326.6 2.6 scans 58% 184 m/z 8.3% 0.00560% 475 1.1 42 2955 37718 37718 1-0 4: 184 134 285 174 0.978 11.06 1.1 93 94 83 94 285 13.4 10.081 0.019 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1018 Uracil 11.1386 1330.0 2.6 scans 50% 241 m/z 8.9% 0.00401% 480 1.2 36 2764 0.00434% 27060 27060 29219 0-0 5: 241 256 99 255 242 0.851 11.15 -0.6 94 96 91 99 256 12.9 12.854 -0.009 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1164 Itaconic acid 11.2175 1334.8 2.7 scans 75% 147 m/z 2.1% 0.0182% 488 0.8 73 11503 0.0188% 122554 111419 126569 2-2 8: 147 73 148 259 215 149 97 268 0.965 11.25 -2.1 82 78 83 90 259 13.0 3.152 -0.035 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1162 Fumaric acid 11.3595 1343.3 2.4 scans 94% 245 m/z 0.21% 0.147% 501 1.1 224 115667 992511 936449 2-1 20: 245 147 73 246 75 143 247 83 240 133 148 115 149 74 84 155 53 157 59 61 0.996 11.39 -2.0 98 97 97 97 245 121.8 29.618 -0.033 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4574 1349.2 3.1 scans 82% 57 m/z 1.2% 0.0329% 510 1.1 92 20308 0.0565% 222148 207439 380382 2-0 16: 57 145 97 115 127 69 55 56 129 111 109 71 59 83 72 58 0.994 11.45 0.7 96 95 97 97 145 27.1 8.635 0.011 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1160 Serine 11.5142 1352.6 2.4 scans 98% TIC 0.065% 0.630% 516 0.8 463 377444 0.650% 4244912 4244912 4376071 0-0 0.999 11.56 -2.6 100 99 99 100 306 49.3 1.137 -0.043 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1022 Thymine 11.5942 1357.4 2.8 scans 45% 255 m/z 1.4% 0.0194% 523 1.2 74 17568 130745 130336 0-1 7: 255 256 270 257 271 269 120 0.418 11.60 -0.4 95 95 70 99 270 24.2 10.776 -0.005 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1024 Threonine 11.9183 1377.0 2.5 scans 96% 73 m/z 0.20% 0.246% 554 1.0 284 118035 1657125 1602502 1-1 20: 73 218 219 117 291 292 147 101 220 57 75 100 293 74 203 221 132 128 133 202 0.999 11.92 -0.1 100 99 99 100 320 26.4 0.863 -0.003 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1148 Glutamine?? 13.3008 1463.0 2.8 scans 96% 155 m/z 0.12% 0.256% 686 0.7 273 195341 1724147 1709388 1-1 20: 155 73 147 156 229 139 75 59 100 74 157 148 131 133 257 230 84 149 103 72 0.996 13.35 -2.9 99 98 99 99 257 21.5 0.617 -0.046 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1146 Malic acid 13.5334 1477.6 2.4 scans 98% 73 m/z 0.063% 0.634% 708 0.8 458 388450 4274848 4219159 1-0 20: 73 147 233 245 133 75 189 148 190 175 191 335 74 101 55 149 234 217 265 307 0.999 13.62 -5.2 100 99 98 99 350 10.9 0.057 -0.084 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1142 Erythritol/Threitol 13.7091 1488.7 2.9 scans 84% TIC 0.95% 0.0679% 724 1.5 130 26022 0.627% 457372 408491 4221225 1-1 0.991 13.89 -11.4 99 98 96 98 320 9.9 0.580 -0.181 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7449 1490.9 2.8 scans 62% 243 m/z (73) 4.3% 0.0136% 728 1.0 62 5636 0.0169% 92052 84481 113778 2-1 6: 243 115 100 128 244 158 0.957 13.81 -3.9 91 93 85 93 243 26.4 18.070 -0.061 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0205 1508.7 2.5 scans 29% 232 m/z (156) 0.28% 0.0892% 754 1.3 172 87266 600950 591594 0-1 18: 232 233 218 100 234 202 188 292 306 219 216 334 130 221 235 189 220 203 0.737 14.02 0.2 93 94 91 99 258 6.8 0.000 0.004 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0416 1510.1 3.7 scans 90% TIC 0.054% 0.698% 756 0.6 409 453915 4701828 4619829 0-1 0.983 14.11 -4.6 99 97 97 99 273 16.9 0.172 -0.068 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN BRA4_R~2-N1002 4-Hydroxy Proline 14.1163 1515.1 2.6 scans 56% 230 m/z 2.4% 0.00948% 763 0.9 57 10006 0.119% 63835 63600 801158 0-1 4: 230 231 140 232 0.946 14.11 0.3 81 80 81 99 230 35.8 39.766 0.004 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1136 4-Hydroxy-Proline 14.1226 1515.5 >4 scans 54% TIC 2.9% 0.0104% 764 1.3 58 8518 0.727% 70602 70301 4894467 1-0 0.915 14.17 -2.8 81 80 70 86 332 6.8 1.363 -0.043 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1032 GABA 14.1889 1519.9 2.7 scans 93% TIC 0.094% 0.414% 770 1.0 364 261481 0.502% 2790236 2698325 3379673 2-2 0.988 14.19 0.1 100 99 99 99 304 110.6 9.260 0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1134 GABA 14.1889 1519.9 2.6 scans 94% 174 m/z (314) 0.093% 0.428% 770 1.0 365 263220 2888120 2734099 5-2 20: 174 73 304 147 175 305 75 86 176 216 306 59 143 246 172 100 130 148 133 142 0.999 14.24 -3.5 97 97 98 99 304 110.7 9.195 -0.053 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3594 1531.2 6.9 scans 83% TIC 1.3% 0.0433% 786 1.7 103 18691 0.629% 292100 290919 4234690 0-1 0.984 14.62 -17.4 91 90 88 92 409 7.8 0.573 -0.262 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3594 1531.2 2.5 scans 57% 292 m/z 2.1% 0.0235% 786 1.3 85 11575 158634 157911 0-2 8: 292 220 205 293 294 221 409 102 0.923 14.69 -22.0 91 91 84 93 409 7.9 0.862 -0.333 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1126 Pyrazine 15.0717 1578.4 2.6 scans 83% 73 m/z 1.1% 0.0488% 854 1.0 127 22323 328849 314135 1-1 20: 73 227 344 301 147 154 228 345 139 302 211 126 346 303 329 212 229 128 59 74 0.937 15.13 -4.0 99 98 96 98 344 38.9 9.377 -0.060 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1120 Glutamic acid 15.5031 1607.4 2.6 scans 83% TIC 1.0% 0.0373% 895 0.6 105 23350 0.0566% 251239 246979 381055 1-0 0.990 15.56 -3.9 98 98 94 97 363 10.9 1.077 -0.057 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1118 Phenylalanine 15.6052 1614.5 2.6 scans 76% 218 m/z 0.43% 0.101% 905 1.0 176 56811 685862 684808 0-1 13: 218 192 219 100 91 220 266 65 132 160 130 294 101 0.940 15.66 -3.7 93 94 83 94 294 13.5 0.592 -0.054 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1040 Xylose 16.0039 1642.1 2.6 scans 88% 73 m/z 0.81% 0.0600% 943 1.1 137 30223 0.0860% 404569 388562 578988 3-0 19: 73 103 307 217 147 308 160 277 189 218 205 204 309 117 133 105 74 104 129 0.987 16.00 0.0 98 96 97 99 307 36.8 7.285 -0.000 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1042 Ribose 16.1028 1649.0 2.7 scans 86% TIC 0.98% 0.0467% 952 0.9 120 25079 0.460% 314517 314517 3096912 0-0 0.987 16.10 0.0 96 95 95 99 307 35.6 8.841 -0.000 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6142 1684.5 2.7 scans 93% TIC 0.28% 0.222% 1001 1.3 252 86595 0.306% 1501270 1334787 2060119 6-0 0.997 16.68 -4.3 100 99 99 100 497 7.1 0.079 -0.062 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1104 Rhamnose 16.8752 1702.8 2.6 scans 78% 117 m/z 0.87% 0.0498% 1025 1.2 126 28398 0.177% 335625 317745 1191638 3-0 18: 117 73 160 147 277 118 161 278 219 74 119 233 231 131 129 305 148 274 0.986 16.93 -4.1 85 82 87 91 392 10.8 0.736 -0.057 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9257 1706.5 2.6 scans 80% 73 m/z 0.81% 0.0629% 1030 1.0 151 30446 0.205% 424013 424013 1380145 0-0 20: 73 217 147 307 205 103 319 218 129 204 206 189 308 320 243 148 309 317 191 219 0.982 16.99 -4.6 95 95 94 95 422 6.5 0.184 -0.063 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9993 1711.8 2.7 scans 89% 73 m/z 0.44% 0.127% 1037 1.1 199 55115 0.243% 859933 833884 1635977 0-1 20: 73 217 147 319 205 103 307 218 129 189 204 320 206 308 277 219 133 321 74 243 0.994 17.06 -4.7 93 92 95 92 510 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1044 Putrescine 17.1898 1725.7 2.7 scans 91% 174 m/z (217) 0.11% 0.238% 1055 1.1 263 206438 1605644 1548541 1-2 17: 174 175 214 176 86 172 200 361 100 130 146 142 173 376 187 362 114 0.993 17.19 0.1 94 93 94 99 376 19.6 0.555 0.002 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1096 Putrescine 17.1898 1725.7 2.7 scans 71% 174 m/z 0.11% 0.183% 1055 1.1 232 208709 1237921 1193895 1-2 17: 174 175 214 176 86 172 200 361 100 130 146 142 173 376 187 362 114 0.992 17.25 -4.3 97 96 96 98 458 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3813 1739.7 2.7 scans 76% 292 m/z (345) 0.92% 0.0651% 1073 1.1 137 26688 438938 438938 0-0 19: 292 333 103 217 307 334 293 294 335 308 319 277 393 218 309 511 104 189 305 0.984 17.44 -4.6 96 98 96 98 511 10.2 0.553 -0.062 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5738 1753.8 2.5 scans 94% 217 m/z 0.074% 0.453% 1092 0.9 387 332917 0.548% 3051125 2927042 3689364 0-1 20: 217 73 218 147 450 219 305 451 232 191 133 74 257 148 75 129 169 149 203 452 0.998 17.63 -4.2 95 93 95 95 450 66.1 2.917 -0.058 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1088 Glutamine?? 17.6633 1760.3 6.6 scans 72% 73 m/z (117) 0.41% 0.143% 1100 1.2 191 59544 1.28% 968397 968397 8617493 0-0 20: 73 292 147 103 218 305 333 307 191 220 148 101 306 104 190 221 259 102 192 308 0.942 17.73 -4.6 86 86 89 92 511 2.9 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7011 1763.1 6.7 scans 85% TIC 0.37% 0.190% 1104 1.3 232 65848 0.682% 1283167 1210734 4591508 0-1 0.992 17.70 0.2 99 98 98 99 375 27.5 1.406 0.002 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1046 Shikimic acid 18.1283 1794.3 2.6 scans 58% 204 m/z 0.78% 0.0460% 1144 1.1 113 31512 0.0808% 310266 273887 543979 3-3 13: 204 205 357 206 254 255 372 282 462 447 373 331 283 0.922 18.13 0.3 91 92 88 93 372 13.3 1.382 0.003 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1082 Citric acid 18.2514 1803.4 3.1 scans 82% TIC 0.25% 0.238% 1156 1.4 265 95582 0.426% 1603521 1603521 2868009 0-0 0.932 18.32 -5.3 98 97 96 99 465 40.3 2.307 -0.070 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1076 Pregnane?? 18.8238 1847.0 4.5 scans 98% 345 m/z 0.0084% 8.60% 1211 0.3 1287 2931794 57899700 57181102 1-0 20: 345 73 346 255 147 347 334 256 191 204 372 435 419 257 133 239 148 348 74 335 0.999 18.86 -2.7 100 99 99 100 537 94.6 0.543 -0.034 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1074 Adenine 18.8817 1851.5 3.3 scans 20% 264 m/z 3.5% 0.00605% 1216 1.6 40 6921 0.0454% 40762 40762 305652 0-0 4: 264 265 279 266 0.949 18.94 -4.4 89 90 78 93 415 4.5 1.291 -0.057 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1072 Fructose 18.9848 1859.3 3.4 scans 98% 73 m/z 0.015% 5.13% 1226 0.6 1121 1560971 34597510 34449507 3-0 20: 73 307 217 103 147 308 277 218 133 309 364 189 205 74 117 219 104 89 148 204 1.000 19.03 -3.7 100 98 99 100 364 128.2 1.312 -0.048 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1052 Fructose 19.1079 1868.7 3.2 scans 95% 307 m/z 0.020% 4.29% 1238 0.4 998 1186023 28943823 26816747 1-4 20: 307 217 73 103 147 308 277 218 364 309 205 262 133 219 74 117 89 189 148 104 1.000 19.10 0.3 100 99 100 99 364 120.3 1.458 0.004 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1066 Glucose 19.1563 1872.4 2.7 scans 26% 319 m/z 1.1% 0.0194% 1242 1.0 96 22076 1.78% 130796 130796 11983701 0-0 9: 319 205 160 320 321 206 229 161 157 0.875 19.40 -18.5 83 85 66 85 319 53.2 30.791 -0.243 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1064 Mannose 19.3089 1884.0 2.8 scans 97% 319 m/z 0.018% 3.72% 1257 0.5 1041 1313636 25094522 24865988 0-1 20: 319 73 205 147 320 160 217 321 103 206 117 229 129 133 74 157 189 148 204 207 0.991 19.45 -11.2 100 98 99 100 319 410.6 15.630 -0.146 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1059 Glucose 19.5404 1901.8 2.8 scans 95% TIC 0.080% 0.840% 1279 0.5 464 306283 0.902% 5657890 5536115 6072640 1-1 0.997 19.55 -0.9 100 99 99 99 376 18.0 0.151 -0.012 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1060 Lysine 19.6098 1907.4 2.7 scans 71% 174 m/z 1.8% 0.0388% 1285 1.2 108 13418 0.104% 261714 261714 700171 0-0 17: 174 317 156 128 318 230 175 86 200 176 434 228 115 154 88 114 329 0.955 19.69 -6.7 89 86 71 95 479 0.0 0.000 -0.083 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1061 Lysine 19.6109 1907.5 2.9 scans 76% TIC 1.6% 0.0398% 1285 1.2 112 15231 268106 258173 0-1 0.958 19.61 -0.1 89 86 84 98 434 11.9 1.133 -0.002 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7108 1915.5 2.8 scans 85% 73 m/z 0.67% 0.0864% 1295 1.3 164 36459 0.198% 582234 529891 1333018 1-1 20: 73 319 205 147 217 103 117 307 321 206 74 133 218 291 148 421 189 331 207 308 0.991 19.79 -6.4 95 94 93 96 434 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1056 Ascorbic acid 19.9002 1930.7 2.5 scans 53% 332 m/z 1.8% 0.0250% 1313 0.8 88 13033 168574 158356 5-1 5: 332 334 374 359 449 0.854 19.99 -7.0 92 93 83 94 449 9.0 1.057 -0.086 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN GLAU_R~4-N1011 UNKp_Ntb Sugar 20.3min 1963 20.2980 1962.7 2.6 scans 95% 73 m/z 0.092% 0.658% 1351 0.9 456 266407 4434297 4434297 0-0 20: 73 217 147 394 103 307 395 333 218 433 205 277 308 74 148 189 393 407 305 133 0.986 20.30 -0.0 100 100 100 100 433 53.2 1.360 -0.000 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1052 Gluconic acid 2 20.5105 1979.8 >4 scans 58% TIC 3.3% 0.0113% 1371 0.8 81 7434 0.193% 76477 76477 1299356 0-0 0.943 20.60 -6.9 85 85 81 85 613 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1048 Galactaric acid 21.0797 2026.7 3.0 scans 57% TIC 7.0% 0.00472% 1425 1.9 42 3498 0.0294% 31778 31778 197933 0-0 0.887 21.15 -6.0 80 81 72 84 627 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN WTF2-N1038 C16:0 21.1397 2031.7 2.9 scans 79% 313 m/z 2.5% 0.0293% 1431 1.4 87 9571 197771 186330 0-7 14: 313 117 75 132 129 314 145 55 57 315 328 131 69 83 0.961 20.62 43.4 83 86 86 95 328 9.5 1.187 0.523 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.7121 2079.8 6.2 scans 100% 73 m/z 0.011% 14.3% 1485 0.2 1439 2112290 96859723 96491758 1-0 20: 73 307 432 133 192 74 103 368 193 308 75 321 369 419 134 220 130 294 59 215 0.999 21.75 -3.1 100 99 99 99 507 106.2 0.546 -0.037 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1042 myo-Inositol 21.7174 2080.3 6.0 scans 59% 305 m/z (73 273) 0.012% 8.43% 1486 0.2 1110 2013643 56814132 56558604 1-0 20: 305 217 318 147 191 306 319 265 204 218 320 367 129 291 219 393 148 266 221 293 0.924 21.77 -4.8 86 90 67 94 318 374.6 11.427 -0.057 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8783 2093.8 3.1 scans 97% 319 m/z 0.028% 2.48% 1501 0.9 789 869780 16750013 16088573 1-2 20: 319 73 205 147 320 217 321 262 103 206 229 204 117 157 74 133 148 129 263 89 0.998 21.93 -4.3 95 92 96 99 656 17.7 0.050 -0.052 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1930 2121.0 2.5 scans 94% 396 m/z 0.10% 0.443% 1531 0.8 386 225366 0.463% 2986295 2983511 3117109 1-1 20: 396 219 73 397 381 398 220 191 307 382 249 293 75 147 383 74 221 399 308 233 0.991 22.19 0.5 99 97 95 99 396 170.1 19.470 0.007 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.5433 2151.6 2.6 scans 72% 204 m/z 1.7% 0.0169% 1564 1.0 74 14012 113956 103721 1-1 7: 204 205 249 131 206 191 103 0.961 22.71 -14.9 93 94 90 94 518 0.0 0.000 -0.171 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN BRA4_R~4-N1012 Spermidine 22.8979 2182.6 2.9 scans 43% 200 m/z (202) 9.6% 0.00801% 1598 1.3 46 2561 0.0102% 53923 53923 68671 0-0 6: 200 174 201 86 172 418 0.888 22.90 -0.2 93 96 94 100 418 7.6 2.713 -0.002 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN WTF2-N1036 C18:0 23.3956 2227.3 3.1 scans 70% 341 m/z 3.7% 0.0205% 1645 1.8 69 6517 0.0252% 138217 117969 169657 1-2 10: 341 117 132 342 145 129 55 356 69 343 0.980 22.89 45.5 87 93 86 93 356 10.0 2.128 0.507 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN BRA4_R~2-N1006 Spermidine 23.5050 2237.3 2.9 scans 74% 144 m/z 3.9% 0.0226% 1655 1.2 80 6335 0.0227% 152305 151678 152826 1-0 17: 144 174 116 156 160 172 86 100 142 175 157 214 145 128 115 186 59 0.980 23.51 -0.4 95 93 95 99 490 7.4 0.853 -0.004 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1195 2293.5 3.4 scans 78% 204 m/z 1.4% 0.0252% 1714 1.5 90 16618 0.116% 170109 170109 780960 0-0 11: 204 73 337 147 217 205 103 338 129 426 219 0.985 24.18 -5.6 88 86 87 91 581 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6551 2344.1 2.9 scans 95% 73 m/z 0.075% 1.14% 1765 0.8 552 327963 1.39% 7715439 7486286 9358059 0-1 20: 73 331 147 217 191 421 307 262 205 319 103 332 305 204 422 259 333 376 218 117 1.000 24.65 0.5 95 92 96 100 466 35.3 0.409 0.005 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7414 2352.3 2.8 scans 90% 73 m/z 0.54% 0.136% 1773 1.0 201 45659 1.13% 922111 808512 7607631 1-3 20: 73 204 217 147 375 292 103 305 219 205 218 451 376 129 293 233 133 191 74 363 0.990 24.81 -6.1 96 95 96 95 451 22.2 1.215 -0.064 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4575 2521.1 2.7 scans 97% 73 m/z 0.038% 1.82% 1936 0.8 750 645875 12293019 11634554 4-1 20: 73 217 204 147 129 740 218 205 305 175 741 361 273 191 232 117 219 74 742 131 1.000 26.52 -6.5 100 99 99 99 740 115.6 2.387 -0.063 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5322 2528.8 2.8 scans 18% 512 m/z 1.7% 0.0347% 1943 1.1 100 14534 234056 217839 1-4 20: 512 455 513 456 247 514 57 483 248 457 263 423 349 497 484 515 383 409 250 309 0.858 26.57 -4.3 92 92 56 92 512 43.2 18.733 -0.041 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN WTF2-N1032 Sucrose 26.6511 2541.1 3.7 scans 51% TIC 7.6% 0.00733% 1954 0.8 50 3222 1.37% 49398 46652 9223411 0-1 0.894 26.87 -22.6 85 86 74 88 451 5.3 1.114 -0.219 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1020 Sucrose 27.4045 2619.6 12.5 scans 10% 437 m/z (361) 0.044% 2.37% 2026 2.4 426 554107 16011485 15867829 1-0 18: 437 451 438 452 306 305 274 454 449 223 200 366 466 455 110 468 83 337 0.664 27.46 -6.0 93 95 94 97 437 266.7 39.311 -0.057 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1018 Sucrose 27.4182 2621.0 12.5 scans 58% 361 m/z (73) 0.0077% 14.6% 2027 1.6 1035 3203558 98841610 97567648 1-1 13: 361 362 271 272 365 231 190 345 130 435 175 241 208 0.927 27.47 -5.5 94 96 70 96 437 266.7 6.677 -0.052 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1010 Sucrose 27.4182 2621.0 12.5 scans 99% 361 m/z 0.0078% 24.7% 2027 1.6 1352 3162123 166750417 164601183 1-1 13: 361 362 271 272 365 231 190 345 130 435 175 241 208 0.999 27.58 -17.2 100 99 98 99 437 256.1 3.612 -0.161 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1014 Sucrose 27.4234 2621.6 12.6 scans 91% TIC 0.0077% 21.6% 2028 1.2 1304 3183331 23.8% 145534087 141831471 160231513 1-0 0.999 27.49 -7.1 100 99 99 100 437 262.2 4.077 -0.067 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1016 Sucrose 27.4266 2621.9 12.5 scans 34% 217 m/z (361) 0.025% 8.28% 2028 1.1 804 981778 9.12% 55749863 54412665 61399639 1-0 20: 217 243 218 219 191 189 230 244 205 148 203 221 259 233 170 157 347 142 163 247 0.945 27.48 -5.4 83 87 85 89 437 16.1 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1008 Sucrose 27.4518 2624.6 >11 scans 98% 103 m/z 0.0083% 21.6% 2031 0.5 1308 2950716 24.2% 146048599 142274421 162924480 1-0 4: 103 129 269 101 1.000 27.59 -14.9 100 99 98 99 437 245.0 3.535 -0.139 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN TAB_REP6-N1070 Sucrose 27.4939 2629.1 12.4 scans 69% 73 m/z (452) 0.0098% 2.96% 2035 1.8 1077 2519566 16.3% 19983499 19540421 109738389 0-1 20: 73 217 147 103 271 129 169 74 243 218 75 191 117 219 204 133 272 230 148 189 0.998 27.41 9.0 89 87 88 98 451 0.0 0.000 0.084 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN LQC1-N1006 Trehalose 28.3925 2726.4 3.0 scans 60% TIC 2.3% 0.0130% 2120 1.2 76 10746 0.194% 87561 87561 1306089 0-0 0.919 28.47 -8.5 91 91 86 92 565 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN GUA35_L1-N1020 Galactinol 30.4769 2964.2 3.1 scans 85% TIC 0.59% 0.0944% 2318 1.0 161 41754 0.209% 636136 559294 1407075 3-0 0.978 30.55 -8.2 96 96 95 98 641 16.1 0.999 -0.068 G:\GCMS data\Nicotiana Panel polar\GLAU_REP4.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6733 3106.3 6.0 scans 89% 204 m/z 1.0% 0.118% 2432 3.1 115 24438 0.557% 795831 715506 3749956 3-9 20: 204 73 217 205 597 129 103 147 361 337 206 598 218 243 191 599 219 362 305 319 0.993 31.68 -0.3 95 95 93 95 597 21.3 3.437 -0.002 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN EXBLK5S-N1006 Contamination 6.6351 1063.9 3.3 scans 62% 207 m/z 1.0% 0.0480% 52 1.5 104 24632 0.148% 255680 195779 788353 7-2 15: 207 73 295 208 191 209 296 279 193 189 192 247 74 210 177 0.973 6.63 0.6 99 98 94 98 295 31.8 9.308 0.010 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1194 Alanine 7.4463 1112.0 14.4 scans 62% TIC 2.0% 0.0616% 129 1.8 74 11879 0.132% 328431 317190 703125 2-0 0.949 7.40 2.5 91 91 88 93 283 0.0 0.000 0.042 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN A-KETO~2-N1006 Contamination?? 7.9914 1144.3 2.6 scans 78% 156 m/z 1.6% 0.0262% 181 1.1 89 14609 0.0531% 139718 127156 282848 5-2 8: 156 75 55 157 54 61 76 158 0.987 7.96 2.1 99 99 97 99 156 46.6 27.565 0.034 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1192 Contamination 8.0713 1149.0 2.6 scans 69% 73 m/z 2.8% 0.0179% 189 0.9 77 8526 0.0456% 95617 95617 242898 0-0 11: 73 147 133 220 235 59 72 160 89 103 100 0.965 7.99 4.8 95 95 90 95 235 16.1 4.305 0.082 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1188 Contamination 8.3901 1167.9 5.1 scans 83% 281 m/z 1.7% 0.0595% 219 1.9 92 14036 0.0666% 317060 275164 354759 6-7 15: 281 369 282 147 73 283 370 265 371 148 249 191 284 205 266 0.990 8.41 -1.5 99 98 84 99 369 26.6 8.318 -0.025 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1186 Phosphate 8.6037 1180.6 2.4 scans 46% 241 m/z 3.1% 0.00896% 239 1.1 53 7836 47760 47760 1-0 10: 241 242 211 133 169 243 256 195 163 135 0.884 8.56 2.6 93 93 79 95 299 0.0 0.000 0.043 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1184 Valine 9.2182 1216.8 5.2 scans 65% 144 m/z (156) 3.8% 0.0148% 298 0.4 47 6450 0.0149% 78879 78068 79368 2-0 3: 144 218 145 0.961 9.19 1.8 93 95 88 95 218 14.8 9.915 0.030 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1180 Benzoic acid 9.7801 1249.7 3.1 scans 64% 179 m/z 5.2% 0.0112% 351 0.6 50 4668 60159 55141 1-2 6: 179 105 135 77 180 194 0.942 9.76 1.2 90 88 83 97 194 7.5 2.233 0.021 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1178 Ethanolamine 10.0126 1263.3 5.0 scans 62% TIC 4.1% 0.0151% 373 0.9 51 5964 2.98% 80700 70501 15873584 1-0 0.900 10.03 -1.2 90 89 79 94 262 5.7 1.274 -0.021 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN VEN77_S6-N1002 Glycerol 10.1262 1269.9 3.6 scans 98% 299 m/z 0.0099% 4.53% 384 0.5 989 2484592 24161577 23799869 1-0 20: 299 300 314 73 301 133 283 211 315 207 193 147 191 316 302 135 225 298 74 284 0.996 10.09 1.9 100 98 95 100 299 607.2 37.954 0.032 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2620 1277.9 2.6 scans 78% TIC 1.7% 0.0187% 397 0.8 76 13809 3.73% 99925 88975 19868614 2-1 0.972 10.24 1.3 92 91 90 93 381 7.0 0.847 0.022 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1176 Isoleucine 10.4598 1289.5 3.3 scans 43% 158 m/z (130 180) 3.7% 0.0137% 416 0.6 54 6615 0.0262% 73467 70401 139560 1-0 4: 158 218 159 232 0.811 10.46 0.1 89 95 87 95 260 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1012 Proline 10.5482 1294.6 3.0 scans 95% 142 m/z 0.052% 0.660% 424 0.6 390 468990 1.92% 3518972 3235829 10227276 4-1 20: 142 73 143 216 147 144 75 72 74 59 66 217 133 244 148 218 70 100 170 149 0.995 10.53 0.8 99 98 98 100 216 69.7 3.215 0.015 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6155 1298.6 2.7 scans 80% 147 m/z 0.36% 0.0948% 430 1.0 171 67883 1.57% 505131 505131 8362929 0-0 20: 147 73 245 148 75 83 149 143 74 133 246 84 170 247 126 61 54 215 72 155 0.955 10.60 0.8 99 99 98 99 245 37.8 4.861 0.014 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1170 Glycine 10.6797 1302.4 4.2 scans 58% TIC 1.5% 0.0166% 437 0.8 84 15971 1.52% 88489 88489 8096593 0-0 0.985 10.69 -0.4 93 92 87 93 276 12.5 2.201 -0.007 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7670 1307.6 2.8 scans 95% TIC 0.026% 1.57% 445 0.8 632 939530 8390296 7793079 1-1 0.990 10.76 0.5 99 97 96 100 251 143.6 5.185 0.009 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1168 Glyceric acid 11.0322 1323.6 2.4 scans 94% 73 m/z 0.34% 0.156% 470 1.0 222 71960 833872 781427 4-5 20: 73 147 292 189 133 103 205 293 190 102 117 148 74 75 307 59 294 149 101 175 0.997 11.05 -1.3 99 98 98 99 292 64.0 8.338 -0.022 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0985 1327.6 2.6 scans 59% 184 m/z 8.4% 0.00771% 476 1.1 48 2924 0.0107% 41113 39629 56996 1-0 5: 184 134 285 174 86 0.972 11.06 2.1 91 91 84 94 285 14.6 9.359 0.035 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1018 Uracil 11.1563 1331.1 2.5 scans 46% 241 m/z 11% 0.00402% 482 1.1 35 2215 0.00437% 21437 21437 23278 0-0 6: 241 255 256 99 183 242 0.985 11.15 0.5 96 97 97 100 256 12.1 11.974 0.008 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1164 Itaconic acid 11.2321 1335.6 2.5 scans 70% 147 m/z 2.3% 0.0162% 489 1.0 71 10434 0.0165% 86785 82382 87891 4-0 8: 147 259 148 215 149 97 68 67 0.934 11.25 -1.3 86 82 84 95 259 14.6 4.213 -0.020 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1162 Fumaric acid 11.3721 1344.1 2.6 scans 91% 245 m/z 0.44% 0.104% 502 1.0 173 55391 557428 515730 2-1 20: 245 73 147 246 75 143 247 83 115 148 133 149 84 61 155 53 74 241 166 242 0.995 11.39 -1.2 94 94 94 94 245 90.7 27.336 -0.021 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4710 1350.0 3.4 scans 77% 57 m/z (204) 1.4% 0.0374% 512 0.8 89 17446 0.0448% 199468 192874 238636 1-0 11: 57 145 97 115 56 127 55 69 129 111 83 0.997 11.45 1.5 90 89 96 97 145 25.6 8.202 0.025 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1160 Serine 11.5246 1353.3 2.4 scans 97% TIC 0.10% 0.545% 517 0.8 411 245241 0.568% 2907449 2907449 3025569 0-0 0.998 11.56 -1.9 100 99 99 99 306 40.9 0.991 -0.032 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1022 Thymine 11.6046 1358.1 3.1 scans 54% 255 m/z 2.2% 0.0136% 524 0.9 57 10890 72488 72488 1-0 6: 255 256 270 257 271 269 0.773 11.60 0.3 97 97 75 99 270 19.3 11.352 0.006 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1024 Threonine 11.9276 1377.5 2.5 scans 95% 73 m/z 0.24% 0.247% 555 1.0 275 99359 1320786 1241348 1-1 20: 73 218 219 117 291 292 147 101 220 74 57 100 75 133 293 203 128 132 221 129 0.999 11.92 0.4 100 99 99 100 320 24.9 0.822 0.007 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1148 Glutamine?? 13.2955 1462.6 2.6 scans 92% 155 m/z 0.36% 0.102% 685 1.2 174 66902 0.112% 543359 519765 596591 1-1 20: 155 73 147 156 229 139 75 59 74 157 100 148 56 84 131 230 257 103 133 72 0.990 13.35 -3.3 99 98 98 99 257 13.7 0.621 -0.052 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1146 Malic acid 13.5396 1478.0 2.7 scans 97% 73 m/z 0.054% 1.00% 708 0.7 526 455182 5372493 5128281 1-1 20: 73 147 233 245 133 75 148 189 190 74 175 335 55 101 191 149 234 59 217 265 1.000 13.62 -4.8 100 99 98 99 350 12.3 0.055 -0.077 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1142 Erythritol/Threitol 13.7132 1488.9 2.5 scans 73% 73 m/z 1.1% 0.0515% 725 1.2 122 21951 274669 249776 1-4 18: 73 217 147 205 103 204 189 307 117 191 218 293 74 206 148 219 277 129 0.947 13.89 -11.2 98 97 93 98 320 9.6 0.623 -0.177 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.7479 1491.1 2.7 scans 61% 243 m/z (73) 7.3% 0.0103% 728 1.0 54 3363 0.0106% 55385 55385 56463 0-0 5: 243 115 100 128 244 0.920 13.81 -3.7 89 93 83 92 243 22.3 16.821 -0.058 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1140 Aspartic acid 14.0215 1508.8 2.4 scans 32% 232 m/z (156) 0.32% 0.100% 754 1.4 174 75749 536380 522326 1-1 18: 232 233 218 100 234 202 188 219 306 216 130 334 204 220 292 349 221 235 0.726 14.09 -4.3 93 96 56 95 349 12.1 0.481 -0.066 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0215 1508.8 2.4 scans 30% 232 m/z 0.32% 0.0919% 754 1.4 167 75765 489948 477111 1-1 18: 232 233 218 100 234 202 188 219 306 216 130 334 204 220 292 349 221 235 0.899 14.02 0.3 95 95 86 99 258 6.2 0.000 0.004 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0467 1510.5 4.0 scans 92% TIC 0.069% 0.778% 757 0.5 395 354817 4144428 4141103 1-0 0.990 14.11 -4.2 99 97 96 99 273 16.0 0.166 -0.063 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN BRA4_R~2-N1002 4-Hydroxy Proline 14.1172 1515.1 2.6 scans 36% 230 m/z (142) 5.8% 0.00468% 763 1.0 37 4239 0.0573% 24960 24960 305220 0-0 3: 230 140 231 0.946 14.11 0.3 84 86 83 99 230 25.1 47.128 0.005 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1134 GABA 14.1888 1519.9 2.6 scans 91% TIC 0.23% 0.243% 770 1.0 256 107305 0.320% 1296331 1112471 1704546 6-2 0.978 14.24 -3.5 99 98 96 99 304 76.6 8.938 -0.053 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3613 1531.3 3.6 scans 88% TIC 1.4% 0.0491% 786 1.7 103 17324 0.466% 261726 260916 2482245 0-1 0.993 14.62 -17.3 93 92 91 94 409 7.1 0.473 -0.260 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6076 1547.7 2.6 scans 74% 73 m/z 1.3% 0.0380% 810 1.4 104 18368 0.0820% 202541 181230 436790 0-1 20: 73 292 147 220 293 205 117 103 294 221 74 133 148 319 291 149 206 102 131 409 0.903 14.69 -5.5 88 87 84 90 409 7.8 0.559 -0.084 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1120 Glutamic acid 15.5030 1607.4 2.5 scans 83% TIC 1.5% 0.0290% 895 0.6 93 15869 0.0595% 154746 154746 316939 0-0 0.987 15.56 -3.9 96 96 92 96 363 10.3 1.206 -0.057 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1118 Phenylalanine 15.6071 1614.6 5.1 scans 87% TIC 0.71% 0.0983% 905 1.0 157 34569 0.162% 523684 508268 862926 1-0 0.994 15.66 -3.6 96 94 92 97 294 10.9 0.479 -0.052 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1040 Xylose 16.0017 1642.0 2.7 scans 83% 73 m/z 1.1% 0.0474% 942 1.0 116 21016 0.0737% 252969 244070 392578 2-0 20: 73 103 217 147 308 204 218 160 117 189 133 257 75 74 104 309 205 129 201 89 0.988 16.00 -0.1 97 97 96 98 307 28.9 6.190 -0.002 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1042 Ribose 16.1017 1648.9 2.7 scans 85% TIC 1.3% 0.0409% 952 0.8 108 18908 0.252% 218169 212399 1342330 1-0 0.994 16.10 -0.1 97 95 95 99 307 29.3 7.389 -0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6120 1684.4 2.6 scans 95% TIC 0.36% 0.183% 1000 1.2 229 68080 0.273% 975247 975247 1454191 0-0 0.999 16.68 -4.4 100 99 98 99 497 6.3 0.076 -0.064 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1104 Rhamnose 16.8740 1702.7 2.7 scans 73% 117 m/z 1.2% 0.0393% 1025 1.1 111 19181 0.136% 209412 200118 724432 2-0 13: 117 73 160 277 118 161 321 131 278 119 305 233 231 0.954 16.93 -4.2 87 87 85 92 392 9.9 0.806 -0.058 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9234 1706.3 2.7 scans 81% 73 m/z 1.0% 0.0527% 1030 1.1 133 22964 0.198% 281223 281223 1054688 0-0 20: 73 217 147 103 205 307 319 218 129 204 320 308 189 206 243 317 148 133 74 219 0.993 16.99 -4.8 95 94 94 94 422 4.3 0.102 -0.066 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9971 1711.7 2.7 scans 90% 73 m/z 0.49% 0.135% 1037 1.1 199 50094 0.854% 721389 677345 4549007 1-2 20: 73 217 147 319 205 103 307 218 129 189 204 320 148 308 206 277 219 74 321 133 0.995 17.06 -4.8 93 92 94 92 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1044 Putrescine 17.1875 1725.6 2.6 scans 80% 174 m/z (73) 0.32% 0.0992% 1055 1.3 167 76914 528758 505665 1-2 13: 174 175 214 176 86 172 200 100 361 376 126 362 114 0.993 17.19 -0.0 96 97 96 99 376 12.5 0.566 -0.000 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1096 Putrescine 17.1875 1725.6 2.6 scans 62% 174 m/z 0.31% 0.0763% 1055 1.3 147 77606 406877 389107 1-2 13: 174 175 214 176 86 172 200 100 361 376 126 362 114 0.973 17.25 -4.4 97 96 93 98 458 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1094 cis-Aconitic acid 17.3043 1734.1 2.9 scans 57% 73 m/z 4.0% 0.00870% 1066 1.3 54 6098 46367 46367 0-0 6: 73 147 229 133 375 89 0.901 17.36 -4.2 87 89 83 88 436 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3811 1739.7 3.3 scans 80% TIC 1.1% 0.0603% 1073 1.4 120 21537 0.624% 321272 321272 3323865 0-0 0.962 17.44 -4.6 97 97 95 97 511 8.4 0.488 -0.062 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5716 1753.6 2.7 scans 94% 217 m/z 0.10% 0.460% 1091 1.0 351 228145 0.589% 2455319 2331766 3137430 5-1 20: 217 73 218 147 450 219 305 74 232 191 257 451 75 133 148 169 149 129 452 203 0.999 17.63 -4.4 95 93 95 96 450 57.1 2.657 -0.060 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7000 1763.0 2.7 scans 51% 334 m/z 1.2% 0.0906% 1104 0.7 156 20299 0.155% 482816 458890 825639 1-3 17: 334 204 256 129 335 255 375 167 166 267 285 211 215 151 244 216 239 0.690 17.70 0.1 94 96 62 94 375 23.2 2.228 0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1251 1794.0 2.4 scans 62% 204 m/z 0.93% 0.0430% 1144 1.1 113 26462 229080 200096 3-1 10: 204 205 206 357 254 372 462 282 283 447 0.926 18.13 0.0 92 92 88 93 372 12.6 1.252 0.000 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1082 Citric acid 18.2503 1803.3 2.6 scans 90% 273 m/z 0.18% 0.383% 1156 1.0 336 133237 0.458% 2043077 1867380 2439631 7-2 20: 273 73 147 347 363 375 274 465 75 275 148 149 211 221 364 74 376 348 305 257 0.995 18.32 -5.4 99 97 96 99 465 50.6 2.276 -0.071 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1076 Pregnane?? 18.8058 1845.7 3.4 scans 97% 345 m/z 0.0098% 7.33% 1209 0.5 1295 2511148 39077449 39064779 1-0 20: 345 73 346 255 147 347 334 191 204 256 435 419 372 133 74 148 257 239 348 75 0.999 18.86 -4.0 100 100 99 100 537 99.3 0.591 -0.052 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1074 Adenine 18.8795 1851.3 3.2 scans 14% 264 m/z 5.1% 0.00567% 1216 1.5 36 4769 0.0148% 30206 30206 78835 0-0 3: 264 265 266 0.952 18.94 -4.6 86 85 77 93 415 3.5 0.965 -0.060 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1072 Fructose 18.9721 1858.4 2.8 scans 96% 73 m/z 0.021% 3.93% 1225 0.5 1002 1157107 20961438 19451107 4-1 20: 73 307 217 103 147 308 277 218 133 364 309 205 189 117 74 219 104 89 191 148 1.000 19.03 -4.6 100 99 99 100 364 112.8 1.271 -0.061 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1052 Fructose 19.0910 1867.4 2.7 scans 96% 73 m/z 0.027% 3.19% 1236 0.5 880 910124 17011680 16293767 1-3 20: 73 307 217 103 147 308 277 218 309 364 205 133 89 74 117 262 219 189 104 148 0.996 19.10 -1.0 100 99 99 99 364 99.4 1.280 -0.013 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1066 Glucose 19.1436 1871.4 2.6 scans 31% 319 m/z 2.1% 0.0173% 1241 1.0 88 11474 1.54% 92247 92247 8203128 0-0 7: 319 205 320 160 321 179 206 0.784 19.40 -19.5 81 81 68 89 319 41.3 22.233 -0.255 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1064 Mannose 19.2919 1882.8 2.7 scans 98% TIC 0.028% 2.74% 1255 0.8 887 853473 14622501 14621712 0-1 1.000 19.45 -12.4 98 96 98 99 319 331.3 13.980 -0.163 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1059 Glucose 19.5266 1900.7 3.3 scans 92% TIC 0.14% 0.573% 1277 0.6 349 166463 3055389 2949943 1-1 0.994 19.55 -2.0 99 98 98 99 376 12.9 0.136 -0.025 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1061 Lysine 19.6065 1907.1 2.8 scans 68% TIC 2.7% 0.0196% 1285 0.8 81 8943 104694 104694 0-0 0.956 19.61 -0.5 91 89 86 98 434 8.0 0.979 -0.006 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7065 1915.2 2.9 scans 88% TIC 0.52% 0.122% 1294 1.1 179 46938 0.280% 652916 623264 1491478 1-0 0.988 19.79 -6.7 96 95 95 95 434 0.0 0.000 -0.084 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1056 Ascorbic acid 19.8938 1930.2 2.5 scans 72% 332 m/z 1.1% 0.0517% 1312 1.0 119 20871 0.0543% 275546 238029 289240 5-1 10: 332 334 359 345 375 331 207 449 361 360 0.920 19.99 -7.5 94 94 90 95 449 11.4 0.918 -0.092 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2905 1962.1 2.6 scans 94% 73 m/z 0.14% 0.451% 1350 1.0 365 169921 2407302 2282179 1-1 20: 73 217 147 394 103 307 333 395 218 205 277 396 74 433 148 308 305 189 133 117 0.983 20.30 -0.4 100 99 99 100 433 39.8 1.189 -0.006 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1052 Gluconic acid 2 20.5072 1979.5 >5 scans 37% TIC 6.9% 0.00336% 1371 0.9 52 3578 0.100% 17944 17944 532671 0-0 0.878 20.60 -7.2 81 83 71 82 613 0.0 0.000 -0.090 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6983 2078.7 4.9 scans 97% 305 m/z 0.012% 14.3% 1484 0.4 1529 2042471 76615886 76585139 1-0 20: 305 73 217 318 147 191 306 319 265 204 218 307 432 320 367 433 133 129 291 148 0.994 21.75 -4.2 100 100 99 100 507 117.1 0.589 -0.051 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1042 myo-Inositol 21.6983 2078.7 4.9 scans 82% 305 m/z (407) 0.013% 12.0% 1484 0.4 1401 1765176 64444184 64418321 1-0 20: 305 73 217 318 147 191 306 319 265 204 218 307 432 320 367 433 133 129 291 148 0.969 21.77 -6.4 94 94 97 98 318 327.0 5.463 -0.076 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8698 2093.1 3.2 scans 96% 319 m/z 0.044% 2.22% 1500 1.0 706 552189 11866839 10955554 3-1 20: 319 73 205 147 320 217 103 321 262 206 117 229 74 204 157 133 148 129 89 376 0.999 21.93 -5.0 95 92 96 99 656 15.2 0.047 -0.060 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1844 2120.3 2.6 scans 91% 396 m/z 0.29% 0.228% 1530 0.9 259 85111 1216377 1126537 5-4 20: 396 219 73 397 381 398 191 307 220 382 249 293 75 74 399 221 308 383 175 233 0.980 22.19 -0.2 98 98 95 98 396 112.4 18.893 -0.002 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6600 2161.8 3.4 scans 93% 204 m/z 0.26% 0.246% 1575 1.5 231 94897 0.348% 1312363 1207193 1853694 2-0 20: 204 73 205 147 217 249 206 117 145 361 131 75 74 191 129 218 103 133 219 362 0.998 22.71 -4.7 93 89 93 99 518 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN BRA4_R~4-N1012 Spermidine 22.8904 2182.0 2.9 scans 37% 174 m/z 19% 0.00322% 1597 1.6 28 1266 17169 17169 0-0 3: 174 200 201 0.797 22.90 -0.8 91 95 74 95 418 5.1 3.313 -0.010 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1173 2293.3 3.3 scans 78% 204 m/z (387) 2.2% 0.0244% 1714 1.5 78 10753 0.105% 130253 130253 559304 0-0 10: 204 73 147 217 337 205 103 206 338 129 0.977 24.01 9.8 89 91 88 92 490 0.0 0.000 0.107 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6508 2343.7 3.1 scans 95% 73 m/z 0.090% 1.07% 1764 1.0 506 271527 1.34% 5719417 5612502 7137786 0-1 20: 73 147 331 191 217 421 205 307 103 262 319 332 305 204 259 422 74 333 117 218 1.000 24.65 0.1 95 92 97 100 466 30.5 0.363 0.001 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7392 2352.1 2.7 scans 88% 73 m/z 0.82% 0.103% 1773 1.0 167 30096 1.06% 552389 474272 5646309 0-3 20: 73 204 217 147 292 375 305 103 205 219 451 218 129 376 293 74 306 233 333 191 0.985 24.81 -6.3 94 93 93 93 451 18.0 1.161 -0.066 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4511 2520.5 2.6 scans 97% TIC 0.062% 1.29% 1935 0.9 593 394234 1.98% 6903709 6807203 10546878 4-0 0.998 26.52 -7.1 100 99 99 99 740 86.1 2.118 -0.070 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5300 2528.6 2.8 scans 16% 512 m/z 2.2% 0.0289% 1943 1.2 89 10958 154103 150235 1-0 16: 512 455 513 456 483 57 349 484 497 409 353 249 383 515 423 424 0.857 26.57 -4.5 91 92 55 92 512 40.3 20.759 -0.043 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN WTF2-N1032 Sucrose 26.6468 2540.7 2.9 scans 61% TIC 7.6% 0.00765% 1954 1.0 51 3212 1.29% 40794 39139 6871451 0-1 0.926 26.87 -23.0 86 88 77 89 451 6.0 1.362 -0.223 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1020 Sucrose 27.4065 2619.8 12.5 scans 10% 437 m/z (361) 0.048% 3.05% 2026 1.9 476 509151 3.27% 16290226 15848775 17418329 1-0 20: 437 451 438 453 450 435 222 220 307 97 463 348 464 467 366 323 184 249 349 465 0.656 27.46 -5.8 94 96 88 99 437 274.9 33.421 -0.055 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1018 Sucrose 27.4149 2620.7 12.5 scans 58% 361 m/z (217) 0.0076% 17.3% 2027 1.5 1123 3222112 18.8% 92525465 90228379 100142076 1-0 20: 361 362 363 319 331 320 332 321 333 305 258 306 173 227 291 201 159 187 322 260 0.931 27.47 -5.8 85 88 64 87 437 283.9 6.431 -0.055 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1014 Sucrose 27.4149 2620.7 12.5 scans 88% 361 m/z 0.0078% 25.9% 2027 1.5 1387 3154598 28.0% 138084224 134656073 149147773 1-0 20: 361 362 363 319 331 320 332 321 333 305 258 306 173 227 291 201 159 187 322 260 0.999 27.49 -8.0 100 100 99 100 437 283.9 4.224 -0.075 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1010 Sucrose 27.4181 2621.0 12.7 scans 92% TIC 0.0077% 28.0% 2027 1.4 1418 3204821 30.6% 149618979 145771656 162997209 1-0 0.999 27.58 -17.2 100 99 97 99 437 283.9 4.040 -0.161 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1008 Sucrose 27.4612 2625.6 12.4 scans 100% 75 m/z 0.0083% 24.9% 2031 0.3 1437 2965430 30.0% 133081430 129234623 159801185 1-0 9: 75 109 104 87 357 278 86 120 423 1.000 27.59 -13.9 100 99 97 99 437 262.3 3.350 -0.130 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN TAB_REP6-N1070 Sucrose 27.4949 2629.2 >2 scans 55% 361 m/z (73) 0.016% 2.75% 2035 1.7 1046 1454493 18.2% 14688264 14688264 96946052 0-0 20: 361 217 362 147 271 363 437 243 218 319 169 191 129 331 219 204 272 230 189 205 0.935 27.41 9.1 88 93 80 93 451 12.6 0.000 0.085 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN LQC1-N1006 Trehalose 28.3882 2725.9 3.1 scans 55% 361 m/z 4.6% 0.0113% 2120 1.2 54 5257 0.0513% 60572 55613 273260 0-3 4: 361 362 363 191 0.936 28.47 -9.0 88 88 74 90 565 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN GUA35_L1-N1020 Galactinol 30.4736 2963.9 3.0 scans 88% 204 m/z 0.91% 0.0765% 2318 0.9 140 26989 0.163% 408015 373339 868253 2-0 20: 204 73 217 191 147 205 305 361 129 218 103 206 319 192 641 434 148 306 318 343 0.981 30.55 -8.5 97 96 95 97 641 13.5 0.927 -0.071 G:\GCMS data\Nicotiana Panel polar\GLAU_REP6.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6816 3107.3 7.7 scans 89% 204 m/z 1.7% 0.0962% 2433 4.2 93 13777 0.460% 512711 497496 2450285 3-6 17: 204 73 217 597 206 129 337 205 103 361 147 598 271 243 218 219 317 0.997 31.68 0.7 94 93 90 93 597 16.2 3.030 0.007 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN EXBLK5S-N1006 Contamination 6.5435 1058.5 7.2 scans 45% 207 m/z 3.1% 0.0122% 44 1.8 54 9167 0.0208% 165479 155355 281015 3-0 6: 207 295 208 209 297 296 0.984 6.63 -4.8 93 93 83 95 295 17.5 10.566 -0.082 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.7266 1069.3 8.1 scans 28% 117 m/z 8.6% 0.00566% 61 0.3 39 3336 0.0127% 76491 68604 171581 0-8 3: 117 147 191 0.824 6.82 -5.6 93 96 90 97 295 3.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1194 Alanine 7.3547 1106.6 6.3 scans 60% TIC 3.5% 0.00629% 121 0.4 50 8099 0.0290% 84975 83314 391800 0-1 0.953 7.40 -2.9 93 94 89 94 283 3.8 0.586 -0.049 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN A-KETO~2-N1006 Contamination?? 7.8566 1136.3 2.9 scans 80% 156 m/z 2.4% 0.00917% 168 1.6 71 11660 0.0112% 123992 119803 151316 1-1 8: 156 75 55 157 54 61 76 158 0.984 7.96 -5.9 97 97 96 98 156 38.3 29.046 -0.100 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1192 Contamination 7.9398 1141.2 2.9 scans 62% 147 m/z 7.2% 0.00358% 176 1.2 50 3985 0.00818% 48396 43725 110515 3-0 6: 147 73 152 133 220 235 0.967 7.99 -3.0 90 91 86 91 235 8.9 3.189 -0.049 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1188 Contamination 8.3522 1165.7 4.9 scans 86% 281 m/z 1.9% 0.0269% 216 1.2 88 15093 0.0323% 363883 343264 436384 2-0 13: 281 369 147 73 282 283 370 265 249 371 191 267 284 0.975 8.41 -3.7 99 98 84 100 369 26.1 8.720 -0.063 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1190 Contamination 8.4617 1172.2 >4 scans 52% TIC 7.1% 0.00186% 226 1.3 42 4047 0.0383% 25184 25184 517446 0-0 0.919 8.48 -1.3 87 88 82 88 309 4.2 0.997 -0.022 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1186 Phosphate 8.5143 1175.3 2.5 scans 86% 241 m/z 0.51% 0.0303% 231 1.2 135 55684 409839 369062 4-7 19: 241 242 133 211 163 256 243 135 195 89 137 98 59 212 119 257 121 91 134 0.993 8.56 -2.7 100 99 98 99 299 0.0 0.000 -0.047 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1184 Valine 9.1403 1212.2 3.1 scans 91% 144 m/z 0.29% 0.0798% 290 1.0 184 97182 1078392 812899 5-20 19: 144 73 218 145 147 219 100 146 74 59 75 220 128 133 132 148 246 129 114 0.996 9.19 -2.8 100 99 98 99 218 53.4 8.456 -0.048 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1180 Benzoic acid 9.7096 1245.6 3.0 scans 74% 179 m/z 2.8% 0.0101% 344 1.9 66 10168 137384 120648 1-7 8: 179 105 135 77 180 194 51 106 0.940 9.76 -2.9 96 95 91 98 194 10.1 2.324 -0.049 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1178 Ethanolamine 9.9821 1261.5 3.7 scans 83% 174 m/z 1.0% 0.0208% 370 1.0 93 27319 0.298% 281668 254876 4026084 2-0 11: 174 73 175 100 176 86 133 262 59 130 114 0.987 10.03 -3.0 98 98 96 98 262 10.3 1.244 -0.052 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LEUCINE-N1054 Leucine 2TMS STD 10.0620 1266.2 3.1 scans 5.8% 158 m/z (147) 0.18% 0.0615% 378 1.2 171 154704 0.0645% 831933 762045 871418 6-0 15: 158 159 232 160 102 100 260 130 157 233 142 128 170 234 84 0.645 10.11 -3.0 85 95 65 92 158 139.6 66.427 -0.052 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN VEN77_S6-N1002 Glycerol 10.0852 1267.5 3.6 scans 95% TIC 0.010% 2.01% 380 0.5 951 2820068 27188376 25565661 1-3 0.993 10.09 -0.5 100 98 95 99 299 596.0 39.566 -0.009 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2314 1276.1 2.6 scans 85% 73 m/z 1.3% 0.0131% 394 1.4 91 22035 177297 164791 1-2 13: 73 198 77 211 199 239 381 70 74 200 212 289 72 0.992 10.24 -0.5 98 97 94 97 381 10.9 1.441 -0.009 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1003 Isoleucine 10.4293 1287.7 >4 scans 91% TIC 0.22% 0.0917% 413 1.3 209 127374 1.74% 1239582 1138487 23508009 7-0 0.999 10.45 -0.9 99 97 97 100 232 32.9 2.478 -0.016 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1012 Proline 10.5229 1293.1 3.1 scans 95% 142 m/z 0.011% 1.40% 422 0.6 816 2612741 1.63% 18966261 16890337 22021870 6-0 20: 142 73 143 216 147 144 75 74 72 59 141 217 66 244 100 133 148 218 79 101 0.998 10.53 -0.7 99 98 98 100 216 150.7 3.431 -0.010 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5871 1296.9 2.8 scans 91% TIC 0.062% 0.240% 428 0.8 395 459586 2.33% 3243961 3243961 31479115 0-0 0.997 10.60 -0.9 98 97 97 99 245 92.3 5.460 -0.015 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1172 Maleic acid 10.5871 1296.9 2.7 scans 87% 147 m/z 0.063% 0.235% 428 0.7 388 452592 1.20% 3182753 3182753 16212420 0-0 19: 147 73 245 148 75 149 83 133 246 74 115 170 84 126 59 58 247 215 242 0.989 10.62 -2.2 97 97 96 97 245 91.8 5.614 -0.037 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1170 Glycine 10.6408 1300.0 >3 scans 78% TIC 0.53% 0.0324% 433 1.0 149 54091 2.02% 438756 438756 27290907 0-0 0.994 10.69 -2.8 99 98 98 99 276 22.6 2.290 -0.046 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7281 1305.3 3.0 scans 96% 147 m/z 0.030% 0.630% 441 0.9 573 948176 8522146 8004720 1-4 19: 147 73 251 76 148 149 58 132 74 252 177 133 150 176 118 59 253 62 72 0.994 10.76 -1.8 99 97 96 99 251 140.8 6.053 -0.030 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1168 Glyceric acid 11.0038 1321.9 2.7 scans 96% 73 m/z 0.31% 0.104% 467 1.4 240 90043 1418028 1355980 1-4 20: 73 147 292 189 133 205 103 293 190 148 117 307 102 294 75 74 191 149 101 59 0.998 11.05 -3.0 100 99 99 100 292 74.0 9.510 -0.050 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0637 1325.5 2.6 scans 24% 184 m/z 15% 0.00129% 473 1.0 28 1801 0.00227% 17536 17536 30668 0-0 4: 184 285 134 174 0.953 11.06 0.0 81 84 56 84 285 11.6 16.860 0.001 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1018 Uracil 11.1237 1329.1 2.9 scans 47% 241 m/z 12% 0.00194% 479 1.8 31 2262 0.00197% 26225 23585 26615 1-1 4: 241 256 99 242 0.889 11.15 -1.5 95 97 90 99 256 11.9 14.769 -0.024 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1162 Fumaric acid 11.3531 1342.9 2.9 scans 97% 245 m/z 0.12% 0.172% 501 1.3 297 225842 0.277% 2328546 2199260 3742367 1-4 20: 245 147 73 246 75 143 247 83 133 148 115 149 84 155 74 53 58 157 61 127 0.998 11.39 -2.4 100 99 99 100 245 168.7 32.331 -0.040 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4541 1349.0 3.0 scans 84% 84 m/z 0.50% 0.0449% 510 1.3 154 56459 0.0649% 606609 562303 876822 3-0 19: 84 133 161 162 92 82 119 65 118 51 85 63 78 91 134 64 130 163 120 0.982 10.96 30.0 87 87 84 93 161 36.3 5.511 0.498 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1160 Serine 11.5025 1351.9 2.6 scans 94% 204 m/z 0.10% 0.250% 515 1.1 386 282805 3381181 3316567 1-2 19: 204 218 73 205 147 100 219 278 206 188 75 74 306 220 116 59 189 216 132 0.986 11.56 -3.3 100 99 97 99 306 41.1 1.137 -0.054 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN BRA4_R~2-N1008 Thymine 11.5846 1356.9 3.4 scans 47% 156 m/z 8.4% 0.00237% 523 1.7 33 3405 32053 30273 1-1 4: 156 255 270 256 0.965 11.58 0.1 82 81 60 86 270 9.5 8.335 0.001 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1024 Threonine 11.9118 1376.6 2.8 scans 97% TIC 0.21% 0.163% 554 1.3 302 132078 2209171 2200504 0-2 0.999 11.92 -0.5 100 99 99 100 320 28.8 0.908 -0.009 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1150 Citrulline 13.0292 1445.9 4.1 scans 72% TIC 7.3% 0.00862% 660 1.2 55 3911 0.0151% 116581 100132 204006 7-5 0.970 13.08 -2.9 89 90 82 91 258 7.2 1.745 -0.047 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1148 Glutamine?? 13.3312 1464.9 3.3 scans 95% TIC 0.20% 0.127% 689 0.5 228 140236 0.130% 1728318 1578081 1756345 7-4 0.995 13.35 -1.0 99 97 98 99 257 18.6 0.668 -0.016 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1146 Malic acid 13.6479 1484.8 8.5 scans 98% 73 m/z 0.0089% 8.97% 719 0.1 1374 3225075 121202403 120928752 1-0 20: 73 147 233 245 189 133 190 191 75 148 175 335 101 149 74 55 265 217 234 307 0.999 13.62 2.0 100 99 99 100 350 36.7 0.071 0.031 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1144 Contamination Parabanica acid 13.8194 1495.6 3.2 scans 78% 100 m/z (73) 1.3% 0.0446% 735 0.5 131 22134 602680 554815 3-3 15: 100 115 243 128 244 116 201 86 70 102 142 98 99 114 202 0.974 13.81 0.8 95 96 94 96 243 52.2 15.962 0.013 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1142 Erythritol/Threitol 13.8394 1496.9 >3 scans 68% TIC 1.1% 0.0233% 737 2.6 121 25072 0.0768% 315752 315752 1037595 0-0 0.953 13.89 -3.2 96 95 93 98 320 10.7 0.788 -0.051 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1140 Aspartic acid 14.0446 1510.3 >2 scans 82% TIC 0.18% 0.124% 756 0.8 285 154064 0.466% 1675297 1597019 6295823 1-0 0.993 14.09 -2.8 100 99 97 99 349 14.8 0.269 -0.042 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0867 1513.1 3.3 scans 92% 156 m/z 0.048% 0.445% 760 0.4 440 589730 6022393 5631842 1-3 17: 156 73 147 157 258 230 158 259 148 231 72 59 58 121 140 112 260 0.986 14.11 -1.6 99 98 98 99 273 18.7 0.182 -0.023 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1032 GABA 14.2045 1520.9 3.9 scans 72% TIC 1.6% 0.0174% 772 1.2 99 17588 0.464% 236347 236347 6268802 0-0 0.953 14.19 1.1 93 93 89 93 304 28.8 8.486 0.017 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3666 1531.7 4.2 scans 76% TIC 1.8% 0.0227% 787 0.9 91 15615 0.100% 307253 307253 1351035 0-0 0.924 14.62 -16.9 93 92 90 95 409 6.5 0.515 -0.254 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6181 1548.3 3.2 scans 83% TIC 1.1% 0.0282% 811 1.4 121 24692 0.0437% 381592 376314 590402 1-0 0.928 14.69 -4.9 96 95 94 98 409 9.0 0.557 -0.074 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1126 Pyrazine 15.0810 1579.0 2.8 scans 80% TIC 1.3% 0.0242% 855 0.9 121 21043 327623 314447 1-1 0.916 15.13 -3.4 98 98 95 98 344 36.6 9.071 -0.051 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3904 1599.6 3.0 scans 70% 217 m/z 0.82% 0.0151% 884 1.5 103 34692 0.0507% 204328 204328 684975 0-0 8: 217 73 218 219 215 230 103 133 0.983 15.44 -3.4 97 96 93 96 393 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1120 Glutamic acid 15.5082 1607.7 2.6 scans 90% 246 m/z 0.61% 0.0368% 895 1.2 149 46825 497708 493448 1-0 20: 246 73 128 247 147 248 75 156 230 84 363 74 100 129 56 349 149 218 133 59 0.990 15.56 -3.6 99 98 97 98 363 15.0 1.005 -0.052 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1118 Phenylalanine 15.6176 1615.3 3.1 scans 88% TIC 0.51% 0.0726% 906 1.3 181 55569 0.0845% 981588 885744 1141625 1-4 0.970 15.66 -2.9 92 92 86 96 294 13.6 0.565 -0.041 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1038 Xylose 15.8975 1634.8 4.8 scans 78% TIC 0.97% 0.0399% 932 2.0 127 29635 0.117% 539678 538691 1580711 1-0 0.947 15.89 0.6 90 86 87 97 307 35.1 7.613 0.008 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1040 Xylose 16.0164 1643.0 3.0 scans 95% 73 m/z 0.21% 0.156% 944 1.0 293 133752 2120961 2082666 1-0 20: 73 103 217 307 147 308 189 160 277 218 74 133 309 104 117 205 75 148 89 234 0.994 16.00 0.9 93 90 94 98 307 83.8 8.194 0.012 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1042 Ribose 16.1122 1649.7 3.1 scans 82% TIC 1.2% 0.0214% 953 0.9 116 22233 0.236% 289242 289242 3188443 0-0 0.979 16.10 0.7 95 94 95 97 307 35.1 9.231 0.009 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1112 Asparagine?? 16.2111 1656.5 2.8 scans 67% 116 m/z 2.2% 0.0165% 962 1.1 95 12613 0.0259% 224092 212379 349918 4-1 11: 116 231 132 188 232 141 100 218 202 233 159 0.935 16.26 -3.5 93 94 92 94 348 5.6 0.341 -0.051 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1108 Ribose 16.3268 1664.6 3.8 scans 81% TIC 1.0% 0.0385% 973 0.9 130 28027 0.0459% 520231 484221 620125 1-1 0.982 16.38 -3.3 96 95 94 97 467 0.0 0.000 -0.048 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6257 1685.3 4.0 scans 81% TIC 1.6% 0.0239% 1002 1.8 110 17575 0.0659% 323266 323266 890332 0-0 0.987 16.68 -3.5 98 98 94 98 497 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0108 1712.7 4.0 scans 85% TIC 0.93% 0.0500% 1038 1.4 151 30660 0.321% 676112 676112 4336822 0-0 0.995 17.06 -3.8 97 96 95 97 510 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1096 Putrescine 17.1980 1726.4 3.1 scans 58% 174 m/z 0.47% 0.0326% 1056 1.2 130 61113 441461 402798 1-2 19: 174 175 214 176 200 86 172 361 130 100 215 173 241 70 142 362 376 126 187 0.958 17.25 -3.6 95 93 92 99 458 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1044 Putrescine 17.1980 1726.4 3.1 scans 70% 174 m/z (73) 0.47% 0.0403% 1056 1.2 142 60700 545507 497731 1-2 19: 174 175 214 176 200 86 172 361 130 100 215 173 241 70 142 362 376 126 187 0.985 17.19 0.8 91 90 93 99 376 10.3 0.529 0.010 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.4011 1741.2 >5 scans 57% TIC 3.9% 0.00791% 1075 1.3 65 7350 0.0123% 106866 106866 166177 0-0 0.888 17.44 -3.1 83 84 80 87 511 4.5 0.484 -0.042 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN WTF2-N1010 Glycerol-P 17.4979 1748.2 3.3 scans 20% 357 m/z 4.0% 0.00981% 1084 1.1 69 7114 132589 126264 1-1 15: 357 299 358 445 315 300 301 370 211 359 387 328 446 316 371 0.635 16.97 38.7 82 88 52 89 445 14.7 4.462 0.530 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5842 1754.5 3.3 scans 91% TIC 0.092% 0.244% 1093 0.9 360 312002 0.620% 3304294 3205933 8376417 0-1 0.993 17.63 -3.5 97 95 96 98 450 48.7 1.832 -0.048 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1088 Glutamine?? 17.6642 1760.4 3.4 scans 86% TIC 0.26% 0.158% 1100 1.3 287 110559 0.644% 2140636 2140636 8700665 0-0 0.976 17.73 -4.5 87 87 92 90 511 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7220 1764.6 3.3 scans 46% 334 m/z (217) 2.4% 0.0278% 1106 0.8 111 11793 0.0308% 376729 331946 416119 0-3 11: 334 204 256 335 255 336 375 167 267 211 376 0.968 17.70 1.7 86 88 81 89 375 15.4 1.908 0.023 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1086 Fructofuranose 18.1103 1792.9 4.3 scans 95% 217 m/z 0.015% 3.11% 1143 0.5 1099 1841093 5.25% 42094218 38949992 70929337 1-2 20: 217 73 437 147 438 218 439 219 257 74 191 129 103 133 230 75 205 148 215 189 0.998 18.13 -1.7 94 92 93 97 437 342.5 9.755 -0.024 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1082 Citric acid 18.2744 1805.1 3.3 scans 30% 273 m/z (191) 0.16% 0.239% 1158 1.0 341 171439 0.584% 3234533 3059921 7890044 0-1 20: 273 347 363 375 274 465 149 275 211 364 348 221 376 466 257 305 183 377 349 365 0.775 18.32 -3.6 91 93 70 96 465 60.6 3.171 -0.047 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.6196 1831.5 6.2 scans 87% TIC 0.11% 0.540% 1191 1.2 377 252174 7304521 6528621 6-3 0.997 18.67 -3.8 94 92 92 97 319 64.2 2.904 -0.049 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1076 Pregnane?? 18.8016 1845.4 6.3 scans 87% 345 m/z 0.097% 0.611% 1208 2.2 419 293945 0.879% 8265753 8071658 11875598 2-1 20: 345 73 346 255 147 347 204 334 256 191 435 419 148 133 257 74 348 537 335 329 0.999 18.86 -4.3 100 99 99 99 537 31.8 0.577 -0.056 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1074 Adenine 18.8942 1852.4 3.3 scans 15% 264 m/z 1.5% 0.0102% 1217 1.2 73 18128 0.0113% 138870 138870 152667 0-0 10: 264 265 279 295 281 266 369 355 280 415 0.972 18.94 -3.5 80 78 75 87 415 7.8 1.139 -0.045 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1072 Fructose 19.0373 1863.3 11.0 scans 94% 307 m/z 0.013% 7.56% 1231 0.5 1298 2143078 17.5% 102148797 96432668 236431123 1-0 20: 307 103 217 147 308 277 218 133 189 74 205 104 117 219 335 148 89 75 172 191 1.000 19.03 0.3 100 98 99 100 364 148.9 1.322 0.004 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1050 Fructose 19.0762 1866.3 >3 scans 91% 73 m/z 0.016% 3.01% 1235 1.0 1235 1785496 9.99% 40757674 40757674 134968396 0-0 20: 73 217 103 147 218 133 364 205 117 74 104 75 89 191 172 148 204 129 173 263 0.997 18.98 7.3 100 99 99 99 364 147.5 1.430 0.096 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1070 Fructose 19.1878 1874.8 >6 scans 89% 307 m/z 0.015% 4.85% 1245 0.3 1242 1822347 23.7% 65609341 65609341 320195293 0-0 20: 307 73 217 103 308 309 89 117 262 263 278 335 310 276 174 231 175 130 90 467 1.000 19.19 -0.5 99 97 98 99 554 71.2 0.330 -0.006 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1052 Fructose 19.1962 1875.5 8.3 scans 91% 277 m/z 0.015% 6.99% 1246 0.4 1248 1824101 23.5% 94537695 94537695 317493223 0-0 20: 277 365 202 149 366 464 350 555 188 116 524 448 311 465 222 260 569 150 358 161 0.999 19.10 7.1 100 99 99 99 364 151.5 1.480 0.092 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1068 Galactopyranose 19.2919 1882.8 >6 scans 80% 204 m/z 0.014% 2.01% 1255 1.0 912 1934482 12.8% 27273645 27273645 172932479 0-0 20: 204 191 73 217 147 205 206 192 129 218 193 133 203 189 117 305 435 74 148 231 0.987 19.32 -1.7 99 98 97 99 435 74.4 0.668 -0.023 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1064 Mannose 19.3940 1890.5 10.5 scans 89% 319 m/z 0.012% 10.8% 1265 1.1 1331 2363592 13.0% 146705435 141924197 175634549 8-0 20: 319 320 321 71 322 364 365 278 308 292 343 305 230 293 300 466 366 302 350 367 0.996 19.45 -4.7 99 98 97 98 319 545.6 16.853 -0.061 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1066 Glucose 19.4045 1891.3 11.3 scans 69% 205 m/z 0.012% 5.39% 1266 0.6 1175 2347589 12.3% 72945958 72945958 166177304 0-0 11: 205 206 218 231 323 201 135 374 209 256 342 0.998 19.40 0.4 98 97 85 100 319 543.8 21.528 0.006 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1062 Glucose 19.6265 1908.7 4.2 scans 94% TIC 0.012% 4.35% 1287 0.4 1318 2220568 58823533 56597294 2-4 0.988 19.66 -2.4 100 99 98 99 319 528.9 16.170 -0.029 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1060 Lysine 19.6749 1912.6 >5 scans 47% 174 m/z (319) 1.1% 0.0501% 1291 1.1 132 25913 0.133% 677306 672127 1796877 0-1 17: 174 317 156 318 230 128 434 100 200 175 228 115 176 329 391 86 202 0.880 19.69 -1.5 89 90 86 95 479 0.0 0.000 -0.018 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7549 1919.0 4.9 scans 46% 73 m/z (333) 2.7% 0.0165% 1299 1.5 86 10577 0.179% 223505 223505 2418353 0-0 10: 73 244 319 145 147 205 117 217 245 129 0.909 19.79 -2.9 81 84 79 86 434 0.0 0.000 -0.036 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN N406_R~2-N1016 Galacturonic acid 19.8001 1922.7 2.7 scans 11% 333 m/z 7.4% 0.00172% 1303 1.3 32 3855 0.0166% 23257 23257 224272 0-0 2: 333 334 0.864 19.79 0.6 87 89 82 89 423 4.8 2.208 0.007 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN BRA4_R~2-N1010 Tyrosine 19.8485 1926.6 4.2 scans 68% TIC 0.57% 0.0339% 1308 1.2 148 50423 0.198% 459032 459032 2675049 0-0 0.971 19.82 2.5 83 77 75 94 382 14.0 0.891 0.031 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1064 Tyrosine 19.8506 1926.7 3.6 scans 65% 218 m/z 0.57% 0.0450% 1308 1.2 146 50390 0.0486% 608756 606623 656603 0-1 15: 218 280 219 220 179 354 100 281 355 163 130 131 180 282 383 0.954 19.81 3.4 83 82 82 91 382 14.0 0.922 0.043 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1056 Ascorbic acid 19.9369 1933.7 2.9 scans 89% TIC 0.30% 0.111% 1316 1.1 253 94323 0.260% 1509298 1477211 3512691 1-1 0.995 19.99 -4.0 99 98 97 99 449 28.3 1.249 -0.049 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.3525 1967.1 4.9 scans 98% 204 m/z 0.0071% 5.66% 1356 0.3 1409 4021485 76522056 76472083 1-0 20: 204 73 191 217 205 147 192 206 218 129 189 193 74 133 103 203 75 148 117 231 0.998 20.41 -4.9 100 99 99 100 217 317.4 5.110 -0.061 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1044 myo-Inositol 21.7099 2079.7 10.9 scans 29% 507 m/z (73) 0.022% 3.43% 1485 1.6 760 1267271 46370034 45733524 1-0 12: 507 71 509 612 279 510 614 613 511 404 523 479 0.821 21.77 -4.7 95 96 95 99 612 40.6 0.286 -0.057 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN INOSIT~1-N1022 myo-Inositol 21.7309 2081.4 10.7 scans 8.8% 307 m/z (305) 0.11% 1.15% 1487 1.0 431 245552 15559583 15278268 1-1 5: 307 432 393 434 370 0.606 21.74 -0.9 83 93 66 91 507 108.0 6.271 -0.010 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.7414 2082.3 10.5 scans 97% 305 m/z 0.013% 12.5% 1488 0.1 1445 2141982 169973845 169215725 1-0 10: 305 306 291 267 321 231 207 220 295 344 0.996 21.75 -0.6 100 99 99 99 507 106.7 0.547 -0.008 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1040 myo-Inositol 21.7709 2084.8 9.8 scans 54% 73 m/z (318) 0.012% 6.49% 1491 0.2 1085 2236328 87701010 87024239 1-0 20: 73 217 147 191 265 204 218 133 74 129 103 148 75 192 219 221 131 149 143 193 0.900 21.78 -0.8 84 92 90 90 378 0.0 0.000 -0.010 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8835 2094.2 3.1 scans 91% 319 m/z 0.26% 0.165% 1501 1.1 286 108379 7.03% 2236489 2089808 94977760 2-1 20: 319 73 205 147 320 103 217 321 206 117 229 74 204 157 89 148 207 75 322 218 0.996 21.93 -3.9 97 95 97 99 656 6.5 0.051 -0.047 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1032 trans-Caffeic acid 22.2076 2122.3 2.6 scans 94% TIC 0.27% 0.144% 1532 1.1 310 105054 0.199% 1952583 1952583 2688560 0-0 0.998 22.25 -3.7 92 90 88 95 396 115.0 13.746 -0.042 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6695 2162.7 3.4 scans 86% 204 m/z 0.96% 0.0310% 1576 1.3 126 29936 0.0575% 419836 403982 776845 1-0 20: 204 73 147 205 217 249 191 361 206 131 218 117 318 145 305 74 129 133 148 219 0.990 22.71 -3.8 86 79 91 98 518 0.0 0.000 -0.045 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN WTF2-N1036 C18:0 23.4018 2227.9 3.0 scans 83% TIC 3.3% 0.00963% 1646 1.4 79 8543 0.0169% 130105 130105 228325 0-0 0.983 22.89 46.1 87 93 88 94 356 11.5 2.112 0.513 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1028 Glycerolgalactose 24.1215 2293.6 2.7 scans 72% 204 m/z 2.2% 0.00964% 1714 1.4 73 13066 0.0169% 130361 108426 228325 2-2 7: 204 337 217 205 103 338 206 0.956 24.01 10.1 86 85 87 91 490 0.0 0.000 0.112 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1024 Glycerolgalactose 24.1215 2293.6 2.8 scans 81% TIC 2.1% 0.00942% 1714 1.6 78 13502 0.0332% 127322 126140 448544 1-0 0.969 24.18 -5.5 86 84 86 89 581 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6497 2343.6 3.4 scans 89% 73 m/z 0.65% 0.0885% 1764 0.7 186 43871 0.121% 1196561 1130433 1634752 4-1 20: 73 331 191 147 421 217 262 307 103 319 205 332 305 192 422 423 308 277 148 320 0.994 24.65 0.0 97 96 96 98 466 11.8 0.402 -0.000 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7444 2352.6 2.6 scans 92% 73 m/z 0.77% 0.0548% 1773 1.2 183 37240 0.128% 740363 687567 1729325 1-3 20: 73 217 204 147 292 375 305 103 219 218 205 451 233 293 376 306 129 191 131 363 0.994 24.81 -5.8 97 96 97 96 451 22.0 1.444 -0.061 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3532 2510.4 3.0 scans 61% TIC 4.4% 0.00358% 1926 1.1 54 6413 0.0723% 48416 48416 976798 0-0 0.938 26.35 0.4 81 81 75 83 495 11.8 4.722 0.003 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4479 2520.1 2.7 scans 92% TIC 0.82% 0.0413% 1935 1.1 162 35015 0.0922% 557983 543702 1245654 3-1 0.999 26.52 -7.5 97 97 96 97 740 25.4 2.468 -0.073 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5342 2529.0 2.8 scans 44% 512 m/z 3.1% 0.0117% 1943 1.0 82 9273 159107 159107 0-0 15: 512 455 513 247 456 514 483 457 57 263 349 248 497 423 409 0.750 26.57 -4.1 94 95 64 95 512 34.2 17.341 -0.039 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9025 2567.1 2.8 scans 44% 371 m/z 5.6% 0.00455% 1978 1.2 50 5067 0.00458% 61492 59523 61877 1-0 7: 371 372 57 459 71 239 145 0.907 26.39 52.5 82 92 77 92 459 8.0 2.568 0.508 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1020 Sucrose 27.4107 2620.2 9.2 scans 24% 437 m/z (361) 0.025% 2.06% 2027 1.2 664 1129708 2.29% 27884266 27368496 30938701 1-0 9: 437 451 439 452 359 234 114 465 393 0.826 27.46 -5.4 84 84 32 96 437 259.4 15.328 -0.050 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN TAB_REP6-N1070 Sucrose 27.4222 2621.5 9.1 scans 43% 361 m/z (363) 0.014% 3.75% 2028 0.8 895 1959213 4.24% 50744818 49926061 57283884 1-0 15: 361 362 320 365 220 246 201 111 294 292 274 421 379 380 266 0.977 27.41 1.4 83 85 70 87 451 13.1 0.000 0.012 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1010 Sucrose 27.4265 2621.9 9.1 scans 98% TIC 0.0087% 9.64% 2028 0.1 1353 3286084 130272749 129664684 1-0 0.998 27.58 -16.3 100 99 98 99 437 263.3 3.812 -0.153 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1014 Sucrose 27.4275 2622.0 9.0 scans 92% 191 m/z 0.0087% 7.86% 2028 0.7 1315 3286084 8.92% 106204530 104695297 120512321 1-0 20: 191 272 245 331 231 192 305 332 241 221 291 233 175 347 171 144 181 307 202 227 1.000 27.49 -6.7 100 100 99 100 437 265.7 4.119 -0.062 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1016 Sucrose 27.4370 2623.0 9.0 scans 50% 217 m/z (361) 0.018% 4.95% 2029 0.1 970 1573159 66957479 66377073 1-0 7: 217 244 190 177 207 304 184 0.976 27.48 -4.3 89 92 95 94 437 16.0 0.000 -0.040 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1008 Sucrose 27.4528 2624.7 8.6 scans 100% 73 m/z 0.0087% 8.50% 2031 0.2 1370 3293414 114862593 114085624 1-0 20: 73 147 103 169 129 74 75 117 133 148 149 131 143 157 170 130 104 155 69 59 0.998 27.59 -14.8 100 99 97 99 437 250.3 3.360 -0.138 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN LQC1-N1018 Sucrose 27.4622 2625.7 >2 scans 78% 361 m/z 0.0088% 1.54% 2032 1.4 1161 3234981 7.23% 20929078 19622259 97679830 0-1 20: 361 362 363 437 271 319 451 438 243 331 364 439 320 272 204 257 305 229 321 291 1.000 27.47 -0.8 100 99 96 99 437 241.8 4.379 -0.008 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN GUA35_L1-N1020 Galactinol 30.6115 2980.2 2.9 scans 88% 204 m/z 1.4% 0.0152% 2331 1.0 91 19570 206007 188084 3-6 17: 204 73 205 191 217 147 318 361 433 305 129 103 192 230 319 265 148 0.995 30.55 7.8 84 83 91 84 641 0.0 0.000 0.066 G:\GCMS data\Nicotiana Panel polar\N38_REP1.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6868 3107.9 3.1 scans 61% 204 m/z 9.0% 0.00291% 2433 1.1 37 3180 39431 39021 2-0 1: 204 0.956 31.68 1.3 82 83 74 83 597 6.4 3.089 0.012 G:\GCMS data\Nicotiana Panel polar\N38_REP2.FIN LQC1-N1188 Contamination 9.1131 1210.7 2.7 scans 76% 281 m/z 10% 0.133% 288 1.5 21 1456 12197 12197 0-0 3: 281 147 369 0.968 8.41 41.3 83 89 66 90 369 6.8 10.217 0.698 G:\GCMS data\Nicotiana Panel polar\N38_REP2.FIN VEN77_S6-N1002 Glycerol 10.1085 1268.9 3.3 scans 67% 299 m/z 10% 0.0822% 382 2.2 15 1407 7519 7519 0-0 2: 299 300 0.668 10.09 0.9 85 89 58 89 299 12.4 66.842 0.014 G:\GCMS data\Nicotiana Panel polar\N38_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7377 1305.9 4.0 scans 74% 147 m/z 8.9% 0.132% 442 2.2 19 1676 0.189% 12129 12129 17287 0-0 1: 147 1.000 10.76 -1.2 85 86 76 86 251 5.5 8.307 -0.020 G:\GCMS data\Nicotiana Panel polar\N38_REP2.FIN LQC1-N1168 Glyceric acid 11.0523 1324.8 2.8 scans 82% 73 m/z 6.5% 0.331% 472 1.5 32 2289 0.353% 30302 26160 32288 2-1 5: 73 292 147 189 133 0.970 11.05 -0.1 89 90 82 89 292 11.4 12.700 -0.002 G:\GCMS data\Nicotiana Panel polar\N38_REP2.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3531 1530.8 2.6 scans 75% TIC 15% 0.0993% 786 0.5 17 952 9088 8702 2-0 0.975 14.37 -1.4 83 85 71 85 342 7.3 18.356 -0.021 G:\GCMS data\Nicotiana Panel polar\N38_REP2.FIN TAB_REP6-N1042 Ribose 16.0197 1643.2 2.5 scans 86% 103 m/z 4.7% 0.342% 944 1.1 37 3177 31313 30264 0-1 5: 103 73 307 217 147 0.987 16.10 -5.8 91 91 83 91 307 12.0 10.612 -0.083 G:\GCMS data\Nicotiana Panel polar\N38_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7054 1763.4 2.6 scans 86% TIC 6.8% 0.350% 1104 0.9 33 2187 1.29% 32104 28713 117993 3-5 0.992 17.70 0.5 83 83 71 83 375 4.4 1.722 0.006 G:\GCMS data\Nicotiana Panel polar\N38_REP2.FIN LQC1-N1086 Fructofuranose 18.0652 1789.7 2.7 scans 95% TIC 0.78% 2.94% 1138 1.5 98 19009 5.42% 269498 269498 495755 0-0 0.997 18.13 -4.9 92 90 90 94 437 28.5 8.488 -0.069 G:\GCMS data\Nicotiana Panel polar\N38_REP2.FIN LQC1-N1072 Fructose 18.9448 1856.3 2.7 scans 95% 73 m/z 0.52% 4.18% 1222 1.0 124 28496 382359 367639 1-1 20: 73 103 307 217 147 308 133 218 277 74 364 189 205 309 89 104 148 191 219 204 0.999 19.03 -6.7 95 94 95 94 364 14.0 1.267 -0.088 G:\GCMS data\Nicotiana Panel polar\N38_REP2.FIN LQC1-N1070 Fructose 19.0658 1865.5 2.8 scans 94% 73 m/z 0.61% 4.21% 1234 1.2 115 24266 18.3% 385604 357757 1673859 2-0 20: 73 307 103 217 147 308 218 309 277 364 74 117 205 219 89 133 148 262 189 104 0.997 19.19 -9.8 93 92 92 92 554 6.6 0.330 -0.128 G:\GCMS data\Nicotiana Panel polar\N38_REP2.FIN LQC1-N1068 Galactopyranose 19.2184 1877.1 2.7 scans 95% 204 m/z 0.18% 9.22% 1248 1.0 186 79890 21.7% 843832 810101 1984849 3-0 20: 204 73 191 147 205 217 206 192 129 74 148 218 133 193 117 103 189 305 291 435 1.000 19.32 -7.4 97 96 94 98 435 14.3 0.590 -0.097 G:\GCMS data\Nicotiana Panel polar\N38_REP2.FIN LQC1-N1064 Mannose 19.2700 1881.1 2.8 scans 94% TIC 0.20% 13.6% 1253 1.0 210 72350 27.6% 1248195 1198416 2524508 0-2 0.999 19.45 -14.1 97 96 96 97 319 77.3 13.517 -0.185 G:\GCMS data\Nicotiana Panel polar\N38_REP2.FIN TAB_REP6-N1059 Glucose 19.5162 1899.9 3.0 scans 87% 73 m/z 1.1% 2.17% 1276 1.1 80 12537 198701 174497 2-6 19: 73 319 205 147 320 103 217 206 321 117 74 129 89 307 229 161 148 291 157 0.981 19.55 -2.8 93 93 90 92 376 0.0 0.000 -0.036 G:\GCMS data\Nicotiana Panel polar\N38_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2948 1962.4 3.0 scans 96% 204 m/z 0.23% 9.90% 1350 1.7 166 62513 11.3% 905830 870102 1033585 1-2 20: 204 73 191 147 205 217 206 192 74 129 133 218 189 103 148 193 305 117 75 291 1.000 20.41 -9.6 99 98 97 98 217 35.3 4.507 -0.119 G:\GCMS data\Nicotiana Panel polar\N38_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6732 2076.6 4.0 scans 97% 305 m/z 0.70% 8.67% 1481 2.5 130 21200 793424 727961 1-7 20: 305 73 217 147 318 191 319 265 204 432 218 129 133 393 367 148 74 433 291 320 1.000 21.75 -6.3 98 97 95 97 507 10.3 0.628 -0.076 G:\GCMS data\Nicotiana Panel polar\N38_REP2.FIN LQC1-N1014 Sucrose 27.4676 2626.3 6.3 scans 93% 361 m/z 1.9% 2.84% 2032 3.6 60 7651 260302 241386 1-8 13: 361 73 362 217 437 147 271 363 103 451 169 74 191 0.999 27.49 -2.4 95 94 85 94 437 12.1 4.142 -0.022 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN EXBLK5S-N1006 Contamination 6.5078 1056.4 >9 scans 41% TIC 5.2% 0.00517% 40 1.5 51 5903 0.0472% 49631 49631 452825 0-0 0.897 6.63 -6.9 92 93 83 94 295 15.1 8.783 -0.117 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.6645 1065.7 4.9 scans 38% 117 m/z 7.5% 0.0124% 55 0.5 53 4131 119584 69497 14-3 5: 117 147 190 148 118 0.853 6.82 -9.2 92 93 85 98 295 3.4 0.000 -0.156 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1194 Alanine 7.3085 1103.8 5.0 scans 72% 116 m/z 2.1% 0.0220% 116 0.5 77 14410 0.0339% 211368 192961 325228 1-1 8: 116 73 117 190 100 59 74 148 0.971 7.40 -5.7 95 95 91 95 283 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN A-KETO~2-N1006 Contamination?? 7.8220 1134.3 2.9 scans 80% 156 m/z 3.3% 0.0112% 165 1.6 73 9294 0.0117% 107702 91759 112247 1-11 6: 156 75 55 157 54 61 0.975 7.96 -7.9 97 96 94 98 156 39.6 29.167 -0.135 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1192 Contamination 7.9030 1139.1 3.1 scans 58% 147 m/z 12% 0.00312% 173 1.3 45 2455 0.00784% 29941 29941 75215 0-0 6: 147 73 152 133 220 235 0.964 7.99 -5.1 82 83 79 86 235 8.8 3.930 -0.086 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1188 Contamination 8.3344 1164.6 4.7 scans 92% 281 m/z 1.4% 0.0551% 214 1.1 123 21841 0.0666% 528786 495786 638943 1-0 12: 281 147 73 369 282 283 265 249 371 207 191 267 0.990 8.41 -4.8 99 97 83 100 369 34.4 7.826 -0.081 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1190 Contamination 8.4143 1169.4 3.2 scans 45% 73 m/z 7.1% 0.00360% 221 1.2 50 4325 0.0193% 34551 34551 185159 0-0 7: 73 198 211 140 77 69 126 0.971 8.48 -4.1 90 92 85 92 309 5.0 0.999 -0.070 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1186 Phosphate 8.4943 1174.1 2.8 scans 82% TIC 1.3% 0.0220% 229 1.1 101 22618 0.0779% 211954 166633 747353 0-13 0.981 8.56 -3.9 98 98 93 98 299 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1184 Valine 9.1172 1210.9 2.9 scans 84% 144 m/z 1.2% 0.0228% 288 1.2 105 24713 0.0274% 218835 185958 262869 4-13 15: 144 73 218 145 147 219 146 100 74 133 132 246 128 220 148 0.996 9.19 -4.1 99 98 96 98 218 30.6 8.462 -0.071 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1180 Benzoic acid 9.6896 1244.4 3.1 scans 66% 179 m/z 6.3% 0.00726% 342 2.2 53 4880 0.00832% 69716 63088 79820 11-1 5: 179 105 135 77 180 0.868 9.76 -4.1 94 94 88 97 194 8.0 2.254 -0.069 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1178 Ethanolamine 9.9674 1260.6 3.3 scans 88% 174 m/z 1.5% 0.0210% 369 0.9 96 19948 0.272% 201745 182310 2609499 3-0 12: 174 73 175 86 100 147 176 133 59 262 131 74 0.995 10.03 -3.9 98 97 95 97 262 9.6 1.008 -0.067 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN VEN77_S6-N1002 Glycerol 10.0621 1266.2 2.7 scans 94% 299 m/z 0.017% 1.43% 378 0.7 886 1783675 13790374 12529752 1-3 20: 299 300 314 73 301 133 283 211 207 315 193 191 147 135 302 316 225 74 115 75 0.990 10.09 -1.8 100 99 96 99 299 548.3 38.490 -0.032 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2189 1275.4 2.9 scans 84% TIC 2.0% 0.0126% 393 1.6 82 15007 1.35% 121658 114355 12951557 0-3 0.984 10.24 -1.2 95 95 91 95 381 9.7 1.389 -0.021 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1003 Isoleucine 10.3988 1285.9 2.8 scans 84% 158 m/z 1.3% 0.0185% 410 1.4 99 22651 177556 161379 1-1 14: 158 73 218 159 232 147 160 100 219 74 260 128 57 132 0.987 10.45 -2.7 99 98 95 98 232 16.0 2.629 -0.046 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1012 Proline 10.4840 1290.9 2.8 scans 94% 142 m/z 0.11% 0.184% 418 1.3 314 272296 0.704% 1773274 1671828 6753997 3-0 20: 142 73 143 216 147 144 74 75 72 59 66 217 101 100 148 133 70 244 170 68 0.998 10.53 -2.9 100 98 99 100 216 56.8 3.280 -0.049 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1014 Maleic acid 10.5787 1296.4 2.8 scans 94% 147 m/z 0.042% 0.637% 427 0.7 582 729755 0.701% 6120693 5425903 6725216 3-4 20: 147 73 245 148 75 149 83 133 74 115 246 143 84 126 59 170 58 72 61 66 0.997 10.60 -1.4 99 98 98 99 245 138.6 5.684 -0.023 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7165 1304.6 3.1 scans 94% TIC 0.037% 0.889% 440 1.2 621 835810 8536179 7948391 1-4 0.976 10.76 -2.5 99 98 98 100 251 144.2 5.403 -0.041 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1168 Glyceric acid 10.9933 1321.3 2.7 scans 95% 73 m/z 0.33% 0.148% 466 1.6 276 93982 0.150% 1422223 1361161 1439062 1-2 20: 73 147 189 292 133 103 293 205 102 117 148 190 294 74 307 75 59 149 101 134 0.997 11.05 -3.6 100 99 99 100 292 82.2 8.847 -0.061 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0501 1324.7 2.4 scans 22% 184 m/z 17% 0.00170% 472 0.8 32 1785 0.00319% 16362 16362 30604 0-0 4: 184 285 134 174 0.904 11.06 -0.8 83 87 60 87 285 12.8 15.680 -0.013 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1018 Uracil 11.1153 1328.6 2.9 scans 63% TIC 10% 0.00297% 478 1.8 44 2944 0.0128% 28548 28548 122800 0-0 0.910 11.15 -2.0 94 94 92 99 256 14.4 10.714 -0.033 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1164 Itaconic acid 11.1953 1333.4 2.9 scans 80% 147 m/z 2.8% 0.0121% 486 1.1 78 10806 116784 102929 2-2 11: 147 73 215 259 148 75 67 97 149 133 141 0.989 11.25 -3.5 88 87 88 92 259 15.5 3.933 -0.057 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1162 Fumaric acid 11.3510 1342.8 2.9 scans 94% 245 m/z 0.060% 0.524% 500 0.9 517 516255 0.610% 5031364 4484182 5852185 1-3 20: 245 147 73 246 75 143 247 83 148 133 149 115 155 74 84 53 157 59 61 58 0.999 11.39 -2.5 100 99 98 99 245 295.0 32.654 -0.042 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4405 1348.2 3.3 scans 94% TIC 0.39% 0.0762% 509 1.2 215 79048 0.784% 731251 731251 7521497 0-0 1.000 10.96 29.2 91 90 88 97 161 48.4 5.089 0.484 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1160 Serine 11.4910 1351.2 2.8 scans 93% TIC 0.27% 0.172% 514 1.0 292 114631 0.775% 1653775 1385820 7435153 0-3 0.997 11.56 -4.0 100 99 98 99 306 30.8 1.111 -0.066 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1020 Serine 11.4910 1351.2 2.7 scans 90% 204 m/z 0.27% 0.156% 514 1.2 287 113399 1506001 1417439 3-3 19: 204 73 218 205 147 100 219 278 188 206 306 220 74 75 116 59 189 216 132 0.994 11.51 -1.4 100 99 98 99 306 30.6 1.136 -0.022 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN BRA4_R~2-N1008 Thymine 11.5772 1356.4 3.5 scans 46% 255 m/z 9.6% 0.00234% 522 2.0 31 3216 22512 22512 1-0 3: 255 270 256 0.935 11.58 -0.4 97 99 88 99 270 12.0 14.527 -0.007 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7130 1364.6 4.0 scans 66% 147 m/z 5.2% 0.0112% 535 0.9 63 5906 108318 92052 1-2 8: 147 73 247 101 148 59 116 213 0.878 11.79 -4.3 85 85 85 88 262 5.6 0.786 -0.072 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1024 Threonine 11.9024 1376.0 2.9 scans 93% TIC 0.79% 0.0648% 553 1.4 182 39009 621908 584247 2-5 0.992 11.92 -1.1 100 99 99 99 320 15.8 0.760 -0.019 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2702 1461.0 3.1 scans 67% 247 m/z (155) 4.6% 0.0112% 683 1.6 73 6664 108129 103339 1-1 11: 247 259 115 248 321 349 249 233 203 231 69 0.983 13.31 -2.3 91 93 88 93 349 9.2 1.625 -0.036 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1148 Glutamine?? 13.3092 1463.5 3.3 scans 88% TIC 0.84% 0.0439% 686 0.6 136 36751 0.0594% 421742 416398 569868 2-1 0.995 13.35 -2.4 96 94 96 98 257 10.6 0.610 -0.038 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1146 Malic acid 13.6175 1482.9 7.7 scans 99% 73 m/z 0.011% 10.1% 716 0.2 1488 2805808 97473391 97400350 1-0 20: 73 147 189 133 190 75 148 74 175 191 101 55 234 149 72 246 59 117 171 131 0.999 13.62 0.1 100 99 99 100 350 40.8 0.075 0.000 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1142 Erythritol/Threitol 13.7164 1489.1 2.8 scans 68% 217 m/z 3.9% 0.0112% 725 1.0 79 7869 1.84% 108011 96557 17652492 0-1 9: 217 205 103 117 218 204 307 189 191 0.965 13.89 -11.0 93 94 91 95 320 5.4 0.470 -0.174 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1144 Contamination Parabanica acid 13.7953 1494.1 4.0 scans 52% 243 m/z (73) 13% 0.00696% 733 0.7 46 2351 66857 55786 2-4 5: 243 100 115 128 86 0.950 13.81 -0.7 81 86 71 86 243 19.3 17.606 -0.011 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0299 1509.3 2.4 scans 49% 232 m/z 0.34% 0.0582% 755 1.1 190 90008 558582 527623 1-3 15: 232 233 218 100 234 202 188 216 219 204 292 130 334 349 220 0.992 14.02 0.8 94 93 89 97 258 4.5 0.000 0.013 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1140 Aspartic acid 14.0341 1509.6 >2 scans 85% TIC 0.34% 0.104% 755 0.8 249 90767 0.318% 1000736 961478 3050811 1-0 0.999 14.09 -3.5 99 98 98 99 349 13.9 0.313 -0.053 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0636 1511.6 2.8 scans 86% 156 m/z 0.10% 0.245% 758 0.8 362 303354 2352658 2146266 1-1 14: 156 147 157 258 230 158 305 259 231 148 140 58 121 112 0.991 14.11 -3.1 96 94 97 99 273 15.8 0.191 -0.046 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1032 GABA 14.1941 1520.2 3.4 scans 84% TIC 1.0% 0.0413% 771 1.1 145 30552 0.407% 396450 396391 3904655 1-0 0.997 14.19 0.4 98 97 96 97 304 43.2 8.867 0.006 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3603 1531.3 5.3 scans 68% TIC 3.1% 0.0199% 786 0.6 76 9877 0.117% 191438 191438 1122468 0-0 0.829 14.62 -17.3 88 88 82 91 409 5.7 0.560 -0.261 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6118 1547.9 2.8 scans 90% TIC 1.0% 0.0391% 810 1.5 147 29128 375214 361956 0-1 0.993 14.69 -5.3 98 97 95 98 409 10.7 0.535 -0.080 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3851 1599.2 2.9 scans 77% 217 m/z 1.1% 0.0176% 884 1.2 110 27449 0.0358% 169655 169655 343456 0-0 12: 217 73 218 219 147 103 230 215 189 133 74 117 0.985 15.44 -3.8 95 95 93 96 393 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1120 Glutamic acid 15.5030 1607.4 2.7 scans 85% TIC 2.0% 0.0161% 895 0.8 97 15184 0.0551% 155411 149689 528615 0-1 0.991 15.56 -3.9 97 96 92 96 363 10.1 1.095 -0.057 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1118 Phenylalanine 15.6093 1614.7 >3 scans 85% TIC 1.9% 0.0238% 905 0.7 114 15825 0.0720% 228925 215556 690750 1-0 0.986 15.66 -3.5 94 93 90 97 294 7.3 0.408 -0.050 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1040 Xylose 16.0123 1642.7 2.8 scans 96% 73 m/z 0.17% 0.272% 943 1.0 384 173411 2616964 2550874 1-0 20: 73 103 217 307 147 308 160 189 218 277 74 133 309 205 117 104 75 89 105 219 0.998 16.00 0.6 94 90 94 98 307 110.5 8.270 0.008 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1042 Ribose 16.1080 1649.4 2.9 scans 84% 73 m/z 1.3% 0.0335% 952 1.0 136 23629 0.419% 322002 316970 4019779 1-4 20: 73 103 307 217 147 308 277 189 218 160 309 133 89 117 74 104 105 205 191 204 0.990 16.10 0.4 96 94 95 99 307 41.1 9.141 0.005 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1108 Ribose 16.3227 1664.3 3.0 scans 90% TIC 0.68% 0.0736% 973 0.8 190 45516 706310 702728 1-0 0.996 16.38 -3.6 97 95 95 98 467 4.2 0.049 -0.052 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6194 1684.9 2.9 scans 86% TIC 1.8% 0.0260% 1001 1.4 124 16860 0.0481% 249600 249378 461459 1-0 0.990 16.68 -3.9 99 98 95 98 497 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0024 1712.1 3.5 scans 88% TIC 0.99% 0.0664% 1037 1.4 172 31121 0.240% 637251 632526 2302499 0-1 0.989 17.06 -4.4 97 97 95 97 510 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1096 Putrescine 17.1928 1726.0 2.9 scans 63% 174 m/z 1.0% 0.0215% 1055 1.1 104 31049 206302 205992 0-1 14: 174 175 214 176 86 200 172 361 130 100 142 146 173 187 0.989 17.25 -4.0 98 97 96 99 458 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1044 Putrescine 17.1928 1726.0 2.9 scans 74% 174 m/z (73) 1.0% 0.0255% 1055 1.1 113 30315 245520 245151 0-1 14: 174 175 214 176 86 200 172 361 130 100 142 146 173 187 0.978 17.19 0.4 95 95 96 99 376 7.1 0.397 0.005 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5737 1753.8 2.9 scans 95% 217 m/z 0.095% 0.337% 1092 0.9 429 325234 0.376% 3235944 3095097 3607248 4-1 20: 217 73 218 147 219 450 74 75 133 191 232 129 305 451 230 103 148 189 215 149 1.000 17.63 -4.2 97 95 96 98 450 52.8 1.517 -0.058 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7073 1763.5 3.0 scans 54% 334 m/z (217) 1.4% 0.0541% 1104 1.3 157 20953 519848 482999 2-2 14: 334 204 256 335 255 211 336 375 167 285 267 166 151 376 0.952 17.70 0.6 91 94 89 94 375 20.1 1.632 0.008 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1086 Fructofuranose 18.0756 1790.4 3.7 scans 93% TIC 0.10% 0.595% 1139 1.1 500 291180 1.41% 5711953 5230667 13527182 1-0 0.997 18.13 -4.2 95 93 94 98 437 146.4 8.593 -0.058 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1084 Shikimic acid 18.1387 1795.0 3.5 scans 22% 204 m/z (191) 0.85% 0.0347% 1145 0.9 111 36445 0.0526% 333564 282773 504631 4-1 11: 204 255 357 372 254 358 447 373 282 267 283 0.907 18.20 -4.2 88 90 85 94 462 11.3 1.046 -0.058 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1082 Citric acid 18.2545 1803.6 3.3 scans 79% 73 m/z (204) 0.24% 0.273% 1156 1.1 344 126663 0.836% 2626201 2419533 8020371 0-9 20: 73 273 147 347 363 375 274 465 75 148 149 74 275 211 133 257 376 364 348 221 0.978 18.32 -5.1 91 90 88 97 465 46.0 1.784 -0.067 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.6080 1830.6 5.7 scans 86% TIC 0.47% 0.196% 1190 1.0 245 64913 0.241% 1880820 1845376 2312093 1-0 0.993 18.67 -4.7 87 83 85 95 319 40.3 2.713 -0.061 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1076 Pregnane?? 18.7922 1844.6 4.9 scans 96% 345 m/z 0.060% 1.34% 1208 1.8 639 514445 12945372 12765547 1-1 20: 345 73 346 255 147 347 204 334 256 191 435 419 372 257 133 148 74 239 348 537 0.999 18.86 -5.1 100 99 99 100 537 49.2 0.596 -0.066 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1074 Adenine 18.8868 1851.9 3.6 scans 29% 264 m/z 2.3% 0.00908% 1217 1.4 64 13426 0.211% 87150 87150 2024280 0-0 6: 264 279 265 266 280 84 0.966 18.94 -4.0 93 93 81 93 415 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1072 Fructose 19.0121 1861.4 10.9 scans 97% 308 m/z 0.015% 9.97% 1228 0.6 1475 2058920 25.7% 95650973 94023661 246559266 1-0 20: 308 277 205 148 191 335 172 365 216 202 105 131 291 263 201 190 262 276 143 350 0.997 19.03 -1.6 100 98 99 100 364 173.3 1.387 -0.021 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1070 Fructose 19.1783 1874.1 8.1 scans 89% 191 m/z 0.018% 7.32% 1244 0.3 1408 1701850 36.0% 70297836 70297836 345374847 0-0 14: 191 365 220 193 90 465 176 391 254 379 346 209 406 339 1.000 19.19 -1.2 99 97 98 99 554 80.3 0.326 -0.016 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1052 Fructose 19.1920 1875.1 8.0 scans 95% 73 m/z 0.015% 10.4% 1246 0.2 1501 1993797 35.7% 100727566 97899546 342496723 0-2 20: 73 217 307 103 147 308 277 218 309 205 364 262 133 189 74 219 117 89 104 148 1.000 19.10 6.7 100 99 99 99 364 179.6 1.437 0.088 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1068 Galactopyranose 19.2678 1880.9 >4 scans 77% 204 m/z 0.076% 0.495% 1253 1.1 494 407267 9.03% 4752153 4752153 86631524 0-0 20: 204 191 73 147 205 217 192 206 129 218 193 189 74 117 203 133 435 219 75 305 0.999 19.32 -3.6 99 97 96 99 435 36.8 0.557 -0.047 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1064 Mannose 19.4045 1891.3 11.3 scans 96% TIC 0.013% 17.2% 1266 0.1 1587 2316954 17.8% 165268670 165268670 170768674 0-0 0.993 19.45 -3.9 100 99 97 99 319 624.9 15.548 -0.050 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1066 Glucose 19.4077 1891.6 11.3 scans 70% 147 m/z (73) 0.013% 10.8% 1266 0.4 1356 2316954 13.9% 104276221 104276221 133353066 0-0 6: 147 148 161 222 240 404 0.974 19.40 0.7 93 93 88 97 319 624.9 21.305 0.009 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN BRA4_R~2-N1004 Galactose 19.4340 1893.6 11.2 scans 59% 319 m/z (73) 0.021% 1.91% 1269 2.1 1228 1473420 10.4% 18327985 18327985 99774956 0-0 20: 319 205 147 320 217 160 321 206 229 189 207 291 218 161 307 277 231 305 191 274 0.933 19.36 5.5 88 93 68 91 364 55.0 0.000 0.073 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1062 Glucose 19.6160 1907.9 4.0 scans 96% TIC 0.014% 5.80% 1286 0.4 1521 2150313 55709492 55316207 2-0 0.998 19.66 -3.2 100 99 99 100 319 602.0 15.726 -0.040 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1059 Glucose 19.6160 1907.9 3.8 scans 93% 319 m/z (317) 0.014% 5.46% 1286 0.5 1498 2169657 52447849 51982211 2-0 20: 319 73 205 147 160 320 103 217 321 206 133 117 74 129 229 157 148 89 75 207 0.998 19.55 5.2 97 98 99 99 376 63.8 0.182 0.064 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN N406_R~2-N1016 Galacturonic acid 19.7939 1922.2 2.8 scans 11% 333 m/z 10% 0.00183% 1303 1.2 32 2879 0.00801% 17603 16485 76846 1-0 3: 333 334 335 0.851 19.79 0.1 81 85 75 87 423 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1056 Ascorbic acid 19.9296 1933.1 3.0 scans 78% 73 m/z 1.0% 0.0482% 1316 0.8 164 29104 0.118% 462611 436692 1132062 2-2 20: 73 332 147 205 333 117 374 334 289 133 259 449 149 74 89 148 260 75 206 303 0.996 19.99 -4.6 90 89 88 93 449 15.7 0.926 -0.056 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.3126 1963.9 2.6 scans 98% 204 m/z 0.019% 1.77% 1352 0.8 1036 1604426 16994252 16994252 0-0 20: 204 73 191 147 205 217 206 192 218 129 189 133 74 193 103 75 148 305 117 435 0.999 20.41 -8.1 100 99 99 100 217 226.4 4.801 -0.101 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.7015 2078.9 5.7 scans 96% 507 m/z 0.016% 8.37% 1484 0.5 1573 1894925 80336522 80336522 0-0 20: 507 508 612 420 407 436 510 396 269 332 381 365 409 390 523 422 333 167 254 598 0.995 21.75 -4.0 100 100 99 100 507 125.8 0.643 -0.048 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1042 myo-Inositol 21.7078 2079.5 4.7 scans 89% 217 m/z (507) 0.015% 7.53% 1485 0.3 1592 1984503 72301437 67638504 1-1 20: 217 73 305 147 191 318 306 265 319 204 218 307 133 129 432 219 192 148 320 433 0.985 21.77 -5.6 94 93 96 99 318 418.0 6.915 -0.066 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8656 2092.7 3.0 scans 95% 319 m/z 0.22% 0.278% 1500 1.1 367 136452 2676382 2487348 1-2 20: 319 73 205 147 320 217 103 321 262 206 117 204 229 74 148 157 89 129 263 207 0.999 21.93 -5.4 97 95 97 99 656 7.8 0.045 -0.064 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1971 2121.4 2.5 scans 95% 396 m/z 0.23% 0.238% 1531 1.1 393 133882 0.305% 2284230 2257424 2926092 1-0 20: 396 73 219 397 319 381 398 205 191 307 147 220 320 249 382 103 75 217 74 293 1.000 22.19 0.9 92 87 85 100 396 150.2 14.578 0.011 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6706 2162.8 3.5 scans 89% 204 m/z 1.4% 0.0267% 1576 1.2 111 21961 0.0491% 256239 256239 471053 0-0 14: 204 73 205 147 249 206 217 361 117 191 74 129 103 133 0.996 22.71 -3.7 97 95 96 99 518 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1247 2293.9 2.6 scans 85% TIC 3.2% 0.00970% 1714 1.7 74 9412 0.0102% 93131 93131 97856 0-0 0.985 24.01 10.4 90 90 88 91 490 0.0 0.000 0.115 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6529 2343.9 3.5 scans 92% TIC 0.69% 0.125% 1765 0.6 214 44367 1205833 1181432 2-1 0.978 24.65 0.3 98 97 96 99 466 13.2 0.379 0.003 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7455 2352.7 2.8 scans 89% 73 m/z 3.2% 0.0193% 1773 1.3 102 9487 0.0973% 185191 169822 933471 0-7 20: 73 217 204 375 292 147 305 218 129 219 148 451 293 376 233 74 133 306 333 363 0.992 24.81 -5.7 91 90 88 90 451 12.5 1.510 -0.060 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4458 2519.9 2.7 scans 94% 73 m/z 0.73% 0.0719% 1935 1.1 205 42213 0.0983% 690315 624755 943065 4-2 20: 73 217 204 147 129 740 218 305 175 205 741 131 74 273 117 191 742 130 206 406 0.999 26.52 -7.7 98 97 96 97 740 32.1 2.459 -0.075 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5321 2528.8 2.8 scans 55% 512 m/z 4.2% 0.0133% 1943 1.0 87 7264 127768 127768 0-1 13: 512 455 513 247 456 483 57 514 248 349 484 497 263 0.938 26.57 -4.3 94 95 80 95 512 35.0 16.166 -0.041 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN WTF2-N1032 Sucrose 26.6479 2540.8 2.6 scans 80% TIC 10% 0.00575% 1954 0.8 59 3032 0.101% 55238 52343 968968 0-1 1.000 26.87 -22.9 84 86 83 87 451 7.0 1.414 -0.222 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1020 Sucrose 27.4086 2620.0 8.9 scans 10% 437 m/z (361) 0.055% 1.33% 2026 1.3 497 561476 12797125 12642471 1-1 20: 437 451 452 71 359 440 450 273 259 215 435 260 142 161 177 275 274 173 366 118 0.647 27.46 -5.6 96 97 96 99 437 307.6 38.351 -0.052 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1010 Sucrose 27.4086 2620.0 8.9 scans 100% 437 m/z 0.0096% 12.6% 2026 1.3 1558 3219968 121835226 120362839 1-1 20: 437 451 452 71 359 440 450 273 259 215 435 260 142 161 177 275 274 173 366 118 0.998 27.58 -18.2 100 99 98 99 437 304.6 3.849 -0.170 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1014 Sucrose 27.4191 2621.1 >7 scans 91% TIC 0.0096% 10.3% 2027 0.7 1493 3228508 12.1% 99063943 96308834 116084324 1-0 1.000 27.49 -7.6 100 99 99 100 437 305.7 4.229 -0.071 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1018 Sucrose 27.4202 2621.3 8.8 scans 51% 361 m/z (73) 0.0096% 6.94% 2028 0.8 1125 3228508 66664294 64955192 1-1 16: 361 319 243 364 204 230 257 229 333 291 203 135 150 377 405 195 0.877 27.47 -5.2 92 95 60 94 437 304.3 7.371 -0.050 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1016 Sucrose 27.4517 2624.6 8.5 scans 42% 73 m/z (207) 0.017% 5.29% 2031 0.2 1026 1779061 50788801 49218502 1-1 20: 73 217 147 103 271 129 169 243 218 74 191 319 75 133 117 219 189 272 205 148 0.933 27.48 -2.7 81 88 82 86 437 16.6 0.000 -0.025 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN LQC1-N1008 Sucrose 27.4517 2624.6 8.5 scans 98% 73 m/z 0.010% 11.9% 2031 0.2 1557 3016904 114730817 111183546 1-1 20: 73 217 147 103 271 129 169 243 218 74 191 319 75 133 117 219 189 272 205 148 1.000 27.59 -14.9 100 99 97 99 437 283.6 3.340 -0.139 G:\GCMS data\Nicotiana Panel polar\N38_REP3.FIN GUA35_L1-N1020 Galactinol 30.6252 2981.8 2.8 scans 91% 204 m/z 3.1% 0.00958% 2332 1.1 74 9860 0.0101% 91993 91056 96897 1-0 15: 204 191 73 217 205 147 361 206 129 218 433 305 103 230 293 0.994 30.55 9.4 84 83 86 84 641 0.0 0.000 0.080 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN EXBLK5S-N1006 Contamination 6.3847 1049.1 6.1 scans 68% TIC 0.85% 0.0259% 28 1.7 109 31575 0.0549% 276785 250845 584637 5-0 0.968 6.63 -14.2 99 98 93 98 295 34.6 10.024 -0.240 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8729 1078.0 >12 scans 40% 117 m/z 5.3% 0.0136% 75 0.2 48 5015 0.0332% 145403 138823 353551 0-2 3: 117 73 147 0.911 6.82 3.1 94 96 88 96 295 2.4 0.000 0.052 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1194 Alanine 7.4411 1111.7 10.7 scans 68% 116 m/z 0.93% 0.0595% 129 0.9 97 28939 0.0980% 634197 634197 1043614 0-0 3: 116 73 249 0.924 7.40 2.2 96 96 92 96 283 0.0 0.000 0.037 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9567 1142.2 2.9 scans 78% TIC 1.5% 0.0146% 178 1.1 90 17649 0.0382% 155996 153981 406796 1-1 0.984 7.96 0.0 99 99 96 98 156 48.5 29.090 -0.000 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1188 Contamination 8.3902 1167.9 4.2 scans 71% 281 m/z 3.7% 0.0126% 219 2.1 61 7095 0.0135% 134343 117569 143763 0-7 8: 281 282 369 370 265 249 371 207 0.978 8.41 -1.5 97 97 80 98 369 17.3 8.169 -0.025 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1184 Valine 9.1972 1215.6 4.1 scans 84% 144 m/z 0.66% 0.0430% 296 0.6 118 40292 0.0462% 458528 418402 491989 6-3 13: 144 73 218 145 147 146 219 100 74 220 128 246 203 0.992 9.19 0.6 99 98 96 98 218 35.4 9.051 0.009 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1180 Benzoic acid 9.7612 1248.6 3.2 scans 27% 179 m/z 3.9% 0.00816% 349 1.0 57 6886 86993 76437 2-2 7: 179 105 135 77 180 136 106 0.776 9.76 0.1 93 93 89 97 194 8.2 2.070 0.002 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1178 Ethanolamine 10.0053 1262.9 4.6 scans 63% TIC 1.8% 0.00973% 372 1.3 71 14279 2.21% 103670 103670 23534556 0-0 0.946 10.03 -1.6 95 95 91 97 262 8.7 1.489 -0.029 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN VEN77_S6-N1002 Glycerol 10.1263 1269.9 4.5 scans 97% TIC 0.0089% 3.36% 384 0.3 1018 2994311 35876762 34852047 1-1 1.000 10.09 1.9 99 98 95 99 299 632.1 38.752 0.032 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2557 1277.5 2.5 scans 81% 73 m/z 1.1% 0.0170% 396 1.1 98 24336 182013 178154 1-1 12: 73 198 211 77 199 70 74 289 239 200 212 72 0.970 10.24 0.9 97 96 95 97 381 10.5 1.150 0.016 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1003 Isoleucine 10.4462 1288.7 3.2 scans 90% TIC 0.38% 0.0567% 414 1.2 158 69307 0.178% 603931 603151 1895543 1-0 0.995 10.45 0.1 100 99 98 100 232 24.1 2.318 0.001 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1012 Proline 10.5335 1293.8 3.2 scans 91% TIC 0.15% 0.105% 423 0.7 220 174504 1.38% 1124463 1124463 14695786 0-0 0.994 10.53 -0.0 100 99 99 100 216 40.1 3.326 0.001 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1172 Maleic acid 10.6093 1298.2 2.8 scans 91% 147 m/z 0.17% 0.115% 430 1.1 244 156028 1.06% 1234916 1234916 11288068 0-0 20: 147 73 245 148 75 83 149 74 143 133 246 115 126 170 84 59 247 66 215 58 0.985 10.62 -0.9 99 98 98 99 245 55.4 5.160 -0.015 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1170 Glycine 10.6682 1301.7 4.4 scans 62% TIC 0.87% 0.0166% 435 0.9 109 30691 0.954% 177039 177039 10159261 0-0 0.965 10.69 -1.1 95 94 93 97 276 18.0 2.705 -0.019 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7597 1307.2 3.2 scans 94% 147 m/z 0.023% 1.02% 444 0.9 643 1137812 10875736 10514641 2-1 20: 147 73 251 76 148 149 58 132 74 252 133 177 176 150 118 59 253 134 62 146 0.976 10.76 0.1 99 97 97 99 251 151.8 5.590 0.002 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1168 Glyceric acid 11.0291 1323.4 2.5 scans 96% 73 m/z 0.22% 0.158% 470 1.0 284 121812 1686350 1566489 5-4 20: 73 147 292 189 133 103 205 293 190 102 307 148 117 75 74 294 149 59 101 175 0.999 11.05 -1.5 100 99 99 100 292 85.3 9.041 -0.025 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0943 1327.4 2.6 scans 65% 184 m/z 5.3% 0.00583% 476 1.1 58 5008 0.0103% 62177 61585 109686 1-1 8: 184 285 134 174 86 77 286 100 0.956 11.06 1.9 94 94 87 97 285 18.4 10.170 0.031 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1018 Uracil 11.1490 1330.6 2.6 scans 59% 241 m/z 5.3% 0.00534% 481 1.3 50 5052 56940 52759 0-8 6: 241 255 99 256 242 113 0.891 11.15 0.0 94 94 85 99 256 16.4 10.626 0.001 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1164 Itaconic acid 11.2259 1335.3 2.9 scans 65% 147 m/z 2.1% 0.0112% 489 0.8 70 12605 0.0124% 119776 103722 132049 0-2 9: 147 73 259 215 148 97 149 74 141 0.934 11.25 -1.6 91 90 88 94 259 13.7 3.874 -0.026 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1162 Fumaric acid 11.3689 1343.9 2.5 scans 93% 245 m/z 0.18% 0.114% 502 1.1 249 143562 1217359 1082498 3-1 20: 245 147 73 246 75 143 247 83 148 115 133 149 155 240 74 84 59 53 157 61 0.996 11.39 -1.4 99 98 98 99 245 138.4 30.976 -0.024 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4658 1349.7 3.3 scans 27% 57 m/z (84) 1.1% 0.0230% 511 1.2 96 22933 0.0357% 245914 239556 380174 2-0 11: 57 97 115 145 127 109 129 111 71 128 72 0.897 11.45 1.2 90 93 91 95 145 29.0 9.190 0.020 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4910 1351.2 3.0 scans 74% 84 m/z (204) 0.096% 0.284% 514 1.0 335 277998 3033962 2706792 2-3 19: 84 133 161 162 119 92 51 82 65 50 118 85 78 63 91 134 64 77 104 0.993 10.96 32.2 93 97 97 99 161 83.1 6.161 0.535 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1020 Serine 11.5236 1353.2 2.8 scans 81% TIC 0.055% 0.768% 517 0.4 527 481300 8180898 7956020 2-1 0.939 11.51 0.6 100 99 96 99 306 56.2 1.140 0.011 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1022 Thymine 11.6004 1357.8 2.8 scans 47% 255 m/z 4.0% 0.00341% 524 1.2 40 6654 36351 34113 1-1 4: 255 270 256 257 0.794 11.60 0.0 97 98 76 98 270 14.7 13.488 0.001 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1024 Threonine 11.9245 1377.3 2.6 scans 96% TIC 0.19% 0.183% 555 1.0 314 140186 1953726 1865991 2-1 0.999 11.92 0.2 100 98 99 100 320 29.1 0.860 0.004 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1150 Citrulline 13.0335 1446.1 2.6 scans 72% 128 m/z (350) 4.4% 0.0110% 660 1.2 75 6096 117935 117339 1-0 9: 128 243 115 141 169 100 70 244 142 0.959 13.08 -2.7 89 90 87 94 258 7.3 0.944 -0.042 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1148 Glutamine?? 13.3050 1463.2 2.7 scans 95% 155 m/z 0.14% 0.149% 686 0.9 275 188234 1590787 1566023 1-1 20: 155 73 147 156 229 139 75 59 100 74 157 148 131 257 84 230 103 72 133 218 0.996 13.35 -2.7 98 97 99 99 257 21.8 0.631 -0.042 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1146 Malic acid 13.5544 1478.9 2.6 scans 98% 73 m/z 0.026% 1.23% 710 0.5 783 1009864 13202161 12872128 1-1 20: 73 147 233 245 133 189 335 190 148 75 175 191 149 74 101 234 55 217 265 307 0.997 13.62 -3.9 100 99 99 100 350 21.0 0.072 -0.063 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1142 Erythritol/Threitol 13.7164 1489.1 >2 scans 81% TIC 1.3% 0.0198% 725 0.9 109 20079 1.44% 210943 210943 15334733 0-0 0.949 13.89 -11.0 91 89 91 97 320 9.3 0.732 -0.174 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7669 1492.3 2.8 scans 96% 243 m/z 0.15% 0.319% 730 0.7 388 175436 3405756 3176283 4-1 20: 243 115 100 73 128 116 244 59 201 158 245 72 101 75 131 142 70 147 117 74 0.999 13.81 -2.5 100 99 99 100 243 150.4 15.064 -0.039 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0236 1508.9 2.7 scans 25% 232 m/z (156) 0.70% 0.0358% 754 1.5 128 38389 381762 371466 0-1 13: 232 233 218 234 202 188 216 334 292 203 235 221 189 0.735 14.02 0.4 90 91 89 96 258 6.1 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0510 1510.7 3.2 scans 94% TIC 0.047% 0.496% 757 0.6 454 561525 5288460 5049650 1-1 0.994 14.11 -4.0 99 97 97 99 273 18.9 0.174 -0.059 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1032 GABA 14.1962 1520.4 2.6 scans 96% 174 m/z 0.056% 0.472% 771 0.9 495 474893 5033663 4941518 1-1 20: 174 304 73 147 175 305 176 75 86 59 216 143 306 246 133 100 172 148 130 74 0.999 14.19 0.6 100 99 99 100 304 153.3 9.597 0.008 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6118 1547.9 2.7 scans 75% 292 m/z 1.7% 0.0204% 810 1.2 99 15491 217847 206935 0-2 13: 292 220 205 293 294 117 103 148 319 291 206 102 409 0.970 14.69 -5.3 86 84 81 89 409 8.1 0.667 -0.080 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6129 1548.0 3.1 scans 77% TIC 1.5% 0.0238% 810 1.7 100 17199 253452 243397 0-1 0.933 14.62 -0.6 89 90 83 90 409 7.8 0.605 -0.008 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1126 Pyrazine 15.0748 1578.6 2.7 scans 87% 73 m/z 0.48% 0.0850% 854 1.0 210 55531 905582 905582 0-0 20: 73 227 344 301 147 345 154 228 302 139 211 346 126 329 59 229 303 212 74 128 0.944 15.13 -3.8 99 98 98 99 344 64.1 9.348 -0.057 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3873 1599.4 3.0 scans 71% 217 m/z 0.97% 0.0237% 884 1.2 96 27533 253288 218772 1-3 4: 217 218 219 230 0.965 15.44 -3.6 94 93 91 95 393 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1118 Phenylalanine 15.6061 1614.5 2.8 scans 85% 218 m/z (267) 0.71% 0.0530% 905 1.1 158 37686 565426 544033 1-1 11: 218 192 219 266 100 220 65 130 294 160 176 0.993 15.66 -3.7 95 94 94 99 294 11.4 0.518 -0.053 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1040 Xylose 16.0133 1642.8 3.0 scans 95% 73 m/z 0.13% 0.301% 943 1.1 366 195007 0.397% 3211837 3075619 4227701 1-1 20: 73 103 217 307 147 308 189 160 277 218 133 74 309 104 117 75 205 89 234 105 0.998 16.00 0.7 93 89 94 98 307 104.7 8.181 0.009 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1042 Ribose 16.1102 1649.5 3.2 scans 82% 73 m/z 0.74% 0.0504% 953 1.3 153 36350 0.455% 537570 529727 4845350 1-2 20: 73 103 307 217 147 308 277 160 189 218 104 74 309 133 205 117 233 219 191 105 0.989 16.10 0.5 94 92 94 99 307 44.8 8.614 0.007 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1108 Ribose 16.3248 1664.4 3.5 scans 78% 73 m/z 1.1% 0.0377% 973 0.8 120 24424 0.0423% 401763 387867 450458 1-2 15: 73 307 103 217 308 277 189 160 309 104 89 218 233 278 129 0.966 16.38 -3.5 93 92 92 96 467 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6205 1685.0 3.0 scans 87% 73 m/z 0.83% 0.0524% 1001 1.6 157 32453 0.0797% 558311 558124 848735 1-0 20: 73 319 307 147 103 217 308 320 205 306 309 321 277 74 129 218 243 133 148 117 0.997 16.68 -3.8 100 99 98 99 497 3.6 0.053 -0.056 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0056 1712.3 3.5 scans 87% TIC 0.66% 0.0785% 1038 1.3 174 40243 0.700% 836840 789454 7454384 0-6 0.993 17.06 -4.2 98 97 96 97 510 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1044 Putrescine 17.2013 1726.6 3.3 scans 90% TIC 0.049% 0.519% 1056 1.3 439 543989 5528905 5298525 2-1 0.989 17.19 1.0 98 96 96 99 376 32.9 0.565 0.013 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5780 1754.1 3.2 scans 94% 217 m/z 0.059% 0.480% 1092 0.9 453 454919 0.664% 5118291 4920532 7071016 5-1 20: 217 73 218 147 219 74 133 75 191 129 149 148 189 103 215 169 220 452 203 131 0.998 17.63 -3.9 97 96 97 98 450 63.3 1.964 -0.054 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7137 1764.0 3.2 scans 58% 334 m/z (217) 1.1% 0.0635% 1105 0.9 157 24401 0.0844% 676323 630300 898786 4-10 11: 334 204 256 335 211 375 336 255 167 166 151 0.981 17.70 1.1 93 95 88 94 375 21.4 1.847 0.015 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1046 Shikimic acid 18.1388 1795.0 4.2 scans 45% 204 m/z 1.0% 0.0480% 1145 1.0 125 26622 511795 483618 3-1 8: 204 357 254 462 359 358 447 283 0.709 18.13 1.0 85 89 85 92 372 12.3 0.981 0.014 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1048 Citric acid 18.2514 1803.4 3.2 scans 64% 273 m/z 0.97% 0.0548% 1156 1.3 149 27607 0.0574% 584075 519300 611260 4-19 16: 273 375 363 347 274 465 275 211 364 376 348 142 183 305 466 349 0.968 18.24 0.6 96 95 93 99 465 22.8 2.349 0.007 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1082 Citric acid 18.2545 1803.6 5.6 scans 44% TIC 0.89% 0.0405% 1156 1.8 124 30017 0.171% 431341 431341 1821000 0-0 0.624 18.32 -5.1 81 93 66 94 465 19.1 2.378 -0.066 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1076 Pregnane?? 18.7943 1844.8 7.5 scans 90% 345 m/z 0.14% 0.579% 1208 2.4 346 189604 0.635% 6170053 6117703 6762191 1-0 20: 345 73 346 255 147 347 334 191 204 256 419 148 239 133 348 74 149 537 335 436 0.997 18.86 -4.9 100 99 98 99 537 26.6 0.591 -0.064 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1074 Adenine 18.8890 1852.0 3.6 scans 8.4% 264 m/z 3.2% 0.00489% 1217 1.0 44 8413 0.00567% 52082 52082 60381 0-0 4: 264 279 265 266 0.964 18.94 -3.9 90 91 78 93 415 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1050 Fructose 19.0416 1863.7 15.9 scans 95% 218 m/z 0.012% 15.9% 1231 0.7 1363 2151371 30.9% 169733048 166505706 329057822 1-0 9: 218 205 189 172 207 130 157 260 220 1.000 18.98 4.7 100 99 98 99 364 156.2 1.318 0.062 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1072 Fructose 19.0584 1864.9 15.8 scans 99% 73 m/z 0.011% 14.6% 1233 0.3 1396 2415896 31.8% 156270203 153124055 338642030 1-0 18: 73 103 133 74 104 117 75 89 105 129 84 149 59 130 101 100 87 58 1.000 19.03 1.9 99 98 98 99 364 155.6 1.247 0.025 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1052 Fructose 19.2005 1875.8 >8 scans 59% TIC 0.021% 3.62% 1246 0.8 1075 1276045 28.6% 38583389 38583389 304564845 0-0 0.999 19.10 7.4 98 97 96 98 364 141.9 1.749 0.096 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1070 Fructose 19.2204 1877.3 >8 scans 73% 103 m/z 0.018% 3.95% 1248 0.3 1183 1470873 24.4% 42140697 42140697 259838539 0-0 12: 103 554 358 569 304 67 360 266 421 248 107 347 0.999 19.19 2.0 98 97 96 98 554 64.3 0.296 0.026 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1066 Glucose 19.3888 1890.1 10.0 scans 31% 307 m/z (73) 0.011% 4.32% 1264 1.5 795 2269936 46049426 45458470 1-1 20: 307 376 365 275 323 292 374 343 150 390 270 220 464 260 302 330 141 265 247 379 0.733 19.40 -0.8 83 89 43 88 319 550.4 48.269 -0.010 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1064 Mannose 19.3888 1890.1 10.0 scans 100% 307 m/z 0.011% 13.4% 1264 1.5 1420 2368393 143520552 141678741 1-1 20: 307 376 365 275 323 292 374 343 150 390 270 220 464 260 302 330 141 265 247 379 0.987 19.45 -5.1 100 99 97 99 319 562.2 15.737 -0.066 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1056 Glucose 19.3972 1890.8 9.8 scans 68% 319 m/z (205) 0.011% 8.62% 1265 0.9 1192 2368393 9.87% 91892552 89910231 105106819 1-0 19: 319 320 217 321 291 305 274 262 233 232 230 366 293 173 375 279 208 268 174 0.971 19.33 5.0 81 83 73 82 364 92.1 0.600 0.065 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1062 Glucose 19.6245 1908.6 3.4 scans 93% 319 m/z (174) 0.012% 4.75% 1287 0.4 1361 2209150 4.96% 50619374 49182775 52819637 0-1 20: 319 73 205 147 320 160 217 103 321 206 133 229 117 129 204 157 74 189 148 207 0.998 19.66 -2.5 97 97 98 99 319 542.9 15.944 -0.032 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1059 Glucose 19.6245 1908.6 3.4 scans 95% 319 m/z 0.011% 4.75% 1287 0.4 1377 2269572 4.96% 50610757 49174402 52819637 0-1 20: 319 73 205 147 320 160 217 103 321 206 133 229 117 129 204 157 74 189 148 207 0.999 19.55 5.9 100 99 99 99 376 57.4 0.175 0.072 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1060 Lysine 19.6792 1913.0 5.3 scans 47% 174 m/z (319) 1.1% 0.0639% 1292 0.5 133 23005 0.112% 681239 681239 1192701 0-0 9: 174 317 318 156 128 434 86 146 115 0.975 19.69 -1.1 83 82 75 92 479 0.0 0.000 -0.014 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7423 1918.0 >5 scans 45% TIC 2.2% 0.00884% 1298 1.7 98 11764 0.231% 94168 94168 2459947 0-0 0.945 19.79 -3.9 82 82 74 84 434 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN N406_R~2-N1016 Galacturonic acid 19.7992 1922.6 2.8 scans 12% 333 m/z 4.3% 0.00390% 1303 1.4 44 6166 0.0118% 41604 41604 125660 0-0 3: 333 334 335 0.844 19.79 0.5 83 81 79 90 423 6.9 2.505 0.006 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.3000 1962.9 3.1 scans 82% TIC 0.49% 0.0772% 1351 1.8 175 54037 0.141% 822820 678243 1501526 1-3 0.981 20.41 -9.1 95 94 94 96 217 40.5 5.333 -0.114 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN WTF2-N1038 C16:0 21.1544 2033.0 2.7 scans 79% 313 m/z 1.9% 0.0250% 1432 1.2 110 13931 266372 237570 1-9 18: 313 117 75 132 314 145 129 55 57 328 118 315 131 69 116 269 97 83 0.967 20.62 44.7 81 84 88 96 328 11.8 1.150 0.537 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.7047 2079.2 8.5 scans 100% 507 m/z 0.013% 11.8% 1484 1.2 1451 2015480 125934114 125897244 1-0 12: 507 508 435 436 159 162 379 179 235 95 597 524 0.999 21.75 -3.7 100 99 99 99 507 110.3 0.580 -0.044 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN INOSIT~1-N1022 myo-Inositol 21.7163 2080.2 8.1 scans 8.1% 432 m/z (73) 0.10% 0.984% 1485 0.2 419 246814 10486583 10485350 1-0 17: 432 433 393 434 368 394 207 243 223 419 132 344 395 407 406 381 289 0.483 21.74 -2.1 82 94 62 93 507 110.5 6.961 -0.025 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1044 myo-Inositol 21.7342 2081.7 7.7 scans 20% 367 m/z (73) 0.040% 2.47% 1487 0.2 680 667831 26395198 26336925 1-0 20: 367 294 223 194 392 279 142 235 365 275 181 209 301 160 391 327 178 257 409 164 0.757 21.77 -2.7 90 95 70 95 612 38.6 0.324 -0.033 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1042 myo-Inositol 21.7384 2082.0 7.3 scans 84% 73 m/z (432) 0.013% 10.1% 1488 0.2 1412 2029724 108247768 104244564 1-1 20: 73 217 305 147 318 191 306 204 265 319 218 307 133 129 148 192 219 320 74 103 0.989 21.77 -3.1 97 98 98 98 318 348.8 6.120 -0.036 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8762 2093.6 3.0 scans 93% 319 m/z 0.095% 0.535% 1501 0.9 473 282345 5700576 5074414 4-2 20: 319 73 205 147 320 217 103 321 262 206 204 117 229 74 133 157 148 89 129 207 0.999 21.93 -4.5 95 92 96 99 656 11.0 0.054 -0.054 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1032 trans-Caffeic acid 22.2055 2122.1 2.5 scans 94% TIC 0.090% 0.552% 1532 1.2 546 296947 0.814% 5881204 5542584 8668384 1-0 0.999 22.25 -3.9 92 89 87 96 396 197.8 13.157 -0.044 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6674 2162.5 3.4 scans 91% 204 m/z 0.26% 0.122% 1576 1.2 218 100524 0.179% 1303852 1222601 1906193 3-0 20: 204 73 205 147 217 249 206 145 361 117 191 131 218 75 74 129 103 362 189 263 0.993 22.71 -4.0 93 89 92 99 518 0.0 0.000 -0.047 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN BRA4_R~4-N1012 Spermidine 22.9116 2183.8 5.3 scans 36% TIC 14% 0.00256% 1599 3.2 33 1898 0.0143% 27292 27292 152282 0-0 0.733 22.90 1.0 93 96 90 96 418 5.2 2.538 0.012 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN WTF2-N1036 C18:0 23.3956 2227.3 2.8 scans 75% 341 m/z 2.8% 0.0165% 1645 1.4 84 9489 0.0198% 176266 151863 210853 2-3 13: 341 117 342 132 129 145 356 55 57 343 69 118 201 0.992 22.89 45.5 88 94 89 94 356 12.7 2.325 0.507 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN BRA4_R~2-N1006 Spermidine 23.5113 2237.9 2.7 scans 86% 144 m/z 2.1% 0.0279% 1656 1.1 120 12664 297114 274087 1-6 20: 144 174 73 116 156 160 86 172 170 142 100 157 175 145 201 214 146 130 59 128 0.993 23.51 0.2 93 90 94 99 490 9.0 0.566 0.002 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1024 Glycerolgalactose 24.1205 2293.6 2.6 scans 86% TIC 0.97% 0.0221% 1714 1.1 116 27642 0.0490% 235930 235441 521807 1-0 0.990 24.18 -5.5 91 89 91 93 581 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6487 2343.5 3.2 scans 89% 73 m/z 0.26% 0.201% 1764 1.2 302 102397 0.251% 2145092 2049429 2672929 0-2 20: 73 331 147 217 191 421 307 262 205 103 319 332 259 305 308 422 333 423 218 192 0.975 24.65 -0.1 97 95 95 99 466 19.4 0.414 -0.001 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7424 2352.4 2.6 scans 89% 73 m/z 0.86% 0.0560% 1773 1.2 169 31068 0.259% 597328 527061 2758122 1-3 20: 73 217 204 147 292 375 305 103 205 219 218 451 293 129 376 333 233 191 363 306 0.988 24.81 -6.0 97 96 96 96 451 19.8 1.368 -0.063 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4459 2519.9 2.6 scans 94% 73 m/z 0.43% 0.0981% 1935 1.0 224 62624 0.144% 1044943 951960 1533473 6-1 20: 73 217 204 147 129 740 218 175 305 205 741 131 406 742 191 219 117 273 74 232 0.999 26.52 -7.7 98 98 97 98 740 33.2 2.202 -0.075 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5311 2528.7 2.8 scans 53% 512 m/z 2.1% 0.0232% 1943 1.1 107 12558 247654 231332 1-1 18: 512 455 513 456 247 57 483 514 457 349 248 263 497 484 515 409 423 233 0.966 26.57 -4.4 96 96 85 96 512 40.9 14.721 -0.042 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9046 2567.3 4.0 scans 55% TIC 5.5% 0.00503% 1979 1.2 46 4842 0.0167% 53655 33220 177840 0-3 0.903 26.39 52.7 82 91 69 91 459 7.8 2.844 0.511 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1010 Sucrose 27.4086 2620.0 8.7 scans 99% 361 m/z 0.0083% 11.6% 2026 1.3 1381 3209345 123681520 122211157 1-1 16: 361 363 364 452 320 453 332 203 199 233 232 265 127 366 277 90 0.998 27.58 -18.2 100 99 98 99 437 265.9 3.731 -0.170 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1018 Sucrose 27.4128 2620.5 8.7 scans 49% 362 m/z (73) 0.0084% 5.86% 2027 1.1 982 3201882 62435859 61548989 1-1 19: 362 320 321 259 291 333 247 304 334 258 187 346 278 335 125 393 309 179 261 0.870 27.47 -6.0 91 95 56 93 437 275.1 7.923 -0.057 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1014 Sucrose 27.4181 2621.0 8.7 scans 88% 363 m/z 0.0083% 9.03% 2027 0.7 1313 3235449 10.4% 96210872 92688995 110750853 1-0 20: 363 319 331 229 245 257 365 305 345 221 101 143 435 183 454 307 163 241 303 255 1.000 27.49 -7.7 100 99 99 99 437 273.8 4.383 -0.072 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1020 Sucrose 27.4434 2623.7 >3 scans 6.3% 292 m/z (361) 0.075% 0.267% 2030 1.3 345 355651 0.765% 2852848 2798663 8146577 0-1 17: 292 269 346 289 467 185 463 349 379 465 263 278 464 182 421 380 456 0.872 27.46 -1.9 92 94 90 98 437 217.9 39.841 -0.018 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN LQC1-N1008 Sucrose 27.4434 2623.7 >3 scans 100% 292 m/z 0.0087% 4.15% 2030 1.3 1399 3064111 11.8% 44200906 43361393 125659621 0-1 17: 292 269 346 289 467 185 463 349 379 465 263 278 464 182 421 380 456 1.000 27.59 -15.8 100 99 97 99 437 246.7 3.131 -0.148 G:\GCMS data\Nicotiana Panel polar\N38_REP4.FIN GUA35_L1-N1020 Galactinol 30.6147 2980.6 2.9 scans 94% 204 m/z 0.65% 0.0416% 2331 1.1 141 41209 443858 422973 1-4 20: 204 73 217 205 191 147 206 361 218 305 433 129 230 103 318 265 293 190 148 74 1.000 30.55 8.2 83 82 93 84 641 0.0 0.000 0.070 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN EXBLK5S-N1006 Contamination 6.3804 1048.8 4.2 scans 56% 207 m/z 1.4% 0.0830% 28 1.5 84 16753 0.142% 353539 205646 604565 11-11 10: 207 295 208 296 209 191 297 193 192 112 0.988 6.63 -14.5 96 96 87 97 295 26.5 10.024 -0.245 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN BRA4_R~4-N1014 Lactic acid 6.9159 1080.6 10.5 scans 27% 147 m/z 9.1% 0.0133% 79 0.2 32 2695 0.0209% 56969 56969 88982 0-0 1: 147 0.675 6.82 5.7 92 97 70 96 295 2.6 0.000 0.095 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1194 Alanine 7.4441 1111.9 9.1 scans 65% TIC 2.1% 0.0710% 129 1.6 81 11689 0.181% 302610 301347 770607 1-0 0.904 7.40 2.4 82 80 82 89 283 0.0 0.000 0.040 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN A-KETO~2-N1006 Contamination?? 7.9829 1143.8 2.3 scans 79% 156 m/z 1.6% 0.0321% 180 1.2 90 14667 0.0363% 136875 127705 154547 0-12 9: 156 75 55 157 54 61 74 158 82 0.980 7.96 1.6 97 97 96 98 156 47.3 27.608 0.026 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1192 Contamination 8.0649 1148.7 2.5 scans 57% 73 m/z 4.8% 0.0105% 188 1.2 57 5028 0.0276% 45097 44714 117507 1-0 10: 73 147 133 235 220 146 72 59 148 86 0.913 7.99 4.5 92 94 85 93 235 12.5 4.707 0.076 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1188 Contamination 8.3901 1167.9 3.3 scans 78% 281 m/z 2.6% 0.0336% 219 1.3 74 9258 0.0460% 143238 118808 195845 7-11 12: 281 369 147 73 282 283 370 265 249 251 284 191 1.000 8.41 -1.5 98 97 83 99 369 21.6 8.479 -0.025 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1184 Valine 9.2224 1217.0 2.5 scans 78% 144 m/z 1.2% 0.0390% 298 0.7 88 20455 0.0436% 166189 131714 185627 11-2 8: 144 73 218 145 219 146 74 59 0.969 9.19 2.0 98 98 92 98 218 26.0 8.717 0.034 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1178 Ethanolamine 10.0094 1263.1 3.6 scans 78% TIC 1.9% 0.0362% 373 0.7 77 12749 4.76% 154196 140761 20265696 1-0 0.987 10.03 -1.4 91 89 89 96 262 7.7 0.993 -0.025 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN VEN77_S6-N1002 Glycerol 10.1272 1270.0 3.8 scans 95% 299 m/z 0.010% 5.62% 384 0.5 984 2462553 23941045 23589196 1-0 20: 299 300 314 73 301 133 283 211 315 207 193 191 316 302 135 298 225 284 74 115 0.976 10.09 2.0 100 99 97 100 299 613.1 39.094 0.033 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LACTIC~1-N1034 Glycerol 10.1367 1270.6 2.6 scans 5.2% 147 m/z (299) 0.28% 0.223% 385 0.4 212 87633 950259 947597 2-0 20: 147 205 117 218 103 206 148 204 149 129 175 203 101 219 217 118 293 220 176 130 0.551 10.11 1.6 86 97 58 93 293 15.5 0.534 0.027 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2619 1277.9 2.6 scans 63% TIC 3.6% 0.00999% 397 0.7 52 6775 3.90% 42542 40504 16604247 1-0 0.935 10.24 1.3 86 85 81 89 381 3.9 0.553 0.022 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1176 Isoleucine 10.4597 1289.5 2.5 scans 80% 158 m/z 1.1% 0.0388% 416 0.9 96 21661 0.0399% 165503 165503 169874 0-0 6: 158 218 159 232 219 220 0.978 10.46 0.1 98 97 94 99 260 7.7 0.646 0.001 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1012 Proline 10.5439 1294.4 >3 scans 83% TIC 1.2% 0.0257% 424 1.0 80 19055 1.62% 109546 109546 6897149 0-0 0.986 10.53 0.6 97 96 92 96 216 15.0 3.549 0.011 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1174 Proline 10.5460 1294.5 2.6 scans 67% 142 m/z 1.3% 0.0229% 424 0.7 72 18583 0.0245% 97714 91529 104309 1-1 4: 142 143 216 144 0.978 10.55 0.1 96 96 91 95 142 53.3 55.164 0.001 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6197 1298.8 2.5 scans 92% TIC 0.24% 0.172% 431 1.2 208 99233 1.78% 735523 692217 7578349 2-0 0.992 10.60 1.0 99 99 98 99 245 48.1 5.354 0.018 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1170 Glycine 10.6839 1302.6 3.5 scans 59% TIC 1.3% 0.0193% 437 1.1 91 18000 1.14% 82426 82426 4853549 0-0 0.931 10.69 -0.2 97 98 88 97 276 13.6 2.270 -0.003 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7659 1307.6 2.8 scans 93% TIC 0.037% 1.42% 445 0.9 534 655246 1.62% 6079727 5454927 6897149 3-2 0.986 10.76 0.5 99 98 96 100 251 121.6 5.191 0.008 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1168 Glyceric acid 11.0353 1323.8 2.4 scans 96% TIC 0.26% 0.264% 470 1.1 261 94652 0.282% 1127222 1122223 1200615 0-2 0.999 11.05 -1.1 99 98 98 99 292 76.3 8.535 -0.019 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.1047 1328.0 2.6 scans 67% 184 m/z 6.0% 0.0145% 477 1.1 60 4056 0.0256% 62081 59915 108992 1-5 9: 184 134 285 174 77 86 59 227 286 0.946 11.06 2.5 93 93 88 98 285 17.7 8.620 0.042 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1018 Uracil 11.1595 1331.3 2.4 scans 59% 241 m/z 6.6% 0.00876% 482 1.0 47 3703 0.00929% 37329 37329 39552 0-0 6: 241 99 256 255 242 113 0.930 11.15 0.7 95 94 89 99 256 15.1 10.250 0.011 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1164 Itaconic acid 11.2342 1335.8 2.4 scans 64% 147 m/z 4.3% 0.0109% 489 0.9 51 5673 0.0132% 46630 41634 56199 2-1 4: 147 148 259 215 0.947 11.25 -1.1 86 85 83 90 259 10.0 3.873 -0.018 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1162 Fumaric acid 11.3752 1344.3 2.5 scans 91% 245 m/z 0.31% 0.166% 503 0.9 200 78916 1.19% 707585 667728 5066424 2-1 20: 245 147 73 246 75 143 247 83 148 115 133 149 84 155 74 53 59 61 127 157 0.975 11.39 -1.0 99 99 97 99 245 109.7 29.969 -0.018 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4762 1350.3 2.8 scans 18% 57 m/z 1.0% 0.0410% 512 1.3 92 22592 0.0524% 174868 153090 223093 2-0 10: 57 97 115 145 127 129 111 109 71 98 0.990 11.45 1.8 86 85 82 90 145 26.3 8.187 0.030 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN WTF2-N1024 Contamination 10.96min 11.5140 1352.6 2.8 scans 71% 84 m/z 0.037% 1.50% 516 0.6 560 648283 6426292 6261777 2-1 20: 84 133 162 161 119 92 118 51 82 65 50 130 85 117 78 134 63 91 52 77 0.839 10.96 33.6 93 96 96 99 161 135.6 5.876 0.558 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1020 Serine 11.5235 1353.2 2.4 scans 48% 204 m/z (84) 0.11% 0.619% 517 1.0 393 216953 2639515 2523038 3-1 20: 204 73 218 205 147 100 219 278 206 75 220 74 306 116 59 216 148 72 101 203 0.966 11.51 0.6 96 98 97 99 306 40.2 1.047 0.011 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1160 Serine 11.5235 1353.2 2.4 scans 46% 204 m/z 0.11% 0.586% 517 1.0 386 221928 2497546 2387334 3-1 20: 204 73 218 205 147 100 219 278 206 75 220 74 306 116 59 216 148 72 101 203 0.609 11.56 -2.0 97 99 91 98 306 40.2 1.089 -0.033 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1022 Thymine 11.6087 1358.3 2.4 scans 59% 255 m/z 4.1% 0.00742% 525 0.9 44 6008 31618 31618 0-0 5: 255 270 256 257 269 0.945 11.60 0.5 97 97 87 98 270 15.7 12.694 0.010 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1024 Threonine 11.9276 1377.5 2.4 scans 93% 73 m/z 0.48% 0.146% 555 1.2 196 50811 623765 593725 1-1 20: 73 218 219 117 291 147 292 220 101 74 75 57 100 133 203 293 129 128 132 221 0.994 11.92 0.4 100 100 100 100 320 17.0 0.760 0.007 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1148 Glutamine?? 13.2944 1462.6 2.6 scans 52% 155 m/z 2.8% 0.0149% 685 1.3 59 8791 63482 58163 4-2 4: 155 156 139 229 0.791 13.35 -3.3 87 91 77 93 257 4.8 0.654 -0.053 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1146 Malic acid 13.5532 1478.9 2.7 scans 98% 73 m/z 0.026% 2.83% 710 0.5 786 927093 12085055 11718111 1-1 20: 73 147 233 245 133 189 190 335 75 148 191 175 149 74 55 101 234 265 217 307 0.998 13.62 -3.9 100 99 99 99 350 19.8 0.064 -0.064 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1142 Erythritol/Threitol 13.7131 1488.9 2.8 scans 90% TIC 0.95% 0.0750% 725 1.3 136 25708 3.05% 319374 311797 12985372 1-0 0.984 13.89 -11.2 98 98 97 98 320 10.0 0.541 -0.177 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.7531 1491.4 >3 scans 80% TIC 2.4% 0.0382% 729 1.3 99 10052 2.71% 162789 162789 11537823 0-0 0.975 13.81 -3.4 94 94 90 94 243 36.8 13.904 -0.053 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0214 1508.8 2.4 scans 20% 232 m/z (156) 1.0% 0.0358% 754 1.2 94 23310 152652 147419 1-1 8: 232 233 218 202 234 188 216 219 0.721 14.02 0.3 92 93 90 97 258 5.7 0.000 0.004 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0414 1510.1 3.0 scans 94% 156 m/z 0.10% 0.476% 756 0.8 317 231470 2028845 1975548 1-1 20: 156 73 147 157 230 258 75 158 74 59 259 231 72 148 58 140 133 112 86 149 0.993 14.11 -4.6 99 97 96 99 273 13.3 0.176 -0.069 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1032 GABA 14.1887 1519.9 2.6 scans 94% TIC 0.18% 0.337% 770 1.0 285 131255 0.360% 1438709 1420075 1532700 0-1 0.997 14.19 0.1 100 99 98 99 304 85.0 8.881 0.001 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3623 1531.4 2.5 scans 57% 292 m/z 4.0% 0.0192% 787 1.1 67 6124 82138 76971 1-1 5: 292 220 293 205 294 0.967 14.69 -21.8 89 89 84 91 409 6.2 0.855 -0.330 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6086 1547.7 2.8 scans 79% TIC 1.4% 0.0456% 810 1.6 99 16715 194216 185539 0-1 0.929 14.62 -0.9 91 92 86 92 409 7.8 0.613 -0.012 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.0631 1577.9 2.6 scans 82% TIC 1.4% 0.0257% 853 1.6 78 17286 109624 108683 0-1 0.965 15.44 -25.1 85 85 82 88 393 0.0 0.000 -0.377 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1118 Phenylalanine 15.6018 1614.2 2.7 scans 40% 218 m/z 3.0% 0.0173% 904 1.3 62 8140 73746 73746 0-1 5: 218 192 219 266 220 0.662 15.66 -4.0 88 93 58 91 294 4.7 0.563 -0.057 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1038 Xylose 15.8891 1634.2 5.2 scans 63% 103 m/z (204) 4.2% 0.0164% 932 1.2 55 5798 0.144% 69869 68835 613080 1-0 4: 103 307 217 308 0.958 15.89 -0.0 88 89 86 94 307 14.0 6.422 -0.001 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1040 Xylose 16.0027 1642.1 2.7 scans 85% TIC 0.97% 0.0770% 942 0.9 132 25150 0.114% 327975 323750 485355 1-0 0.968 16.00 -0.0 97 96 97 99 307 32.9 6.206 -0.001 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1042 Ribose 16.1027 1649.0 2.7 scans 88% TIC 1.1% 0.0611% 952 0.9 120 21815 0.221% 260484 242358 940907 1-0 0.984 16.10 0.0 97 95 95 99 307 33.9 7.992 -0.000 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.2258 1657.6 2.6 scans 46% 290 m/z 3.6% 0.00863% 964 1.6 40 6680 0.00907% 36745 33733 38616 1-3 4: 290 291 392 292 0.798 16.28 -3.5 91 94 62 94 392 8.2 4.182 -0.050 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1108 Ribose 16.3163 1663.8 2.8 scans 88% TIC 0.72% 0.118% 972 0.8 153 34089 0.222% 506504 471466 945165 3-1 0.987 16.38 -4.1 95 93 94 97 467 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6140 1684.5 2.6 scans 90% 73 m/z 0.65% 0.133% 1000 1.3 173 37445 0.196% 568032 521574 834470 1-0 20: 73 307 319 147 217 103 320 308 205 129 306 218 321 309 133 277 74 189 117 148 0.998 16.68 -4.3 100 99 98 99 497 5.3 0.093 -0.062 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9234 1706.3 2.6 scans 79% 73 m/z (117) 1.6% 0.0476% 1030 1.1 111 15099 0.468% 202689 202689 1992510 0-0 20: 73 217 147 103 307 205 319 218 129 204 189 243 206 308 219 148 320 318 74 191 0.987 16.99 -4.8 93 94 93 94 422 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9960 1711.6 2.7 scans 90% TIC 0.63% 0.125% 1037 1.0 175 38747 0.643% 532925 522622 2737572 0-2 0.994 17.06 -4.9 96 96 95 96 510 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1096 Putrescine 17.1875 1725.6 2.7 scans 70% 174 m/z 0.34% 0.0978% 1055 1.2 151 70849 416413 400914 1-1 18: 174 175 214 176 86 172 200 361 100 130 173 142 146 158 187 128 126 362 0.997 17.25 -4.4 98 97 96 99 458 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1044 Putrescine 17.1875 1725.6 2.7 scans 81% 174 m/z (73) 0.35% 0.115% 1055 1.2 163 70263 493850 475469 1-1 18: 174 175 214 176 86 172 200 361 100 130 173 142 146 158 187 128 126 362 0.997 17.19 -0.0 97 97 98 99 376 11.2 0.470 -0.001 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5684 1753.4 2.5 scans 95% 217 m/z 0.086% 0.640% 1091 1.0 394 284797 2726022 2642673 2-1 20: 217 73 218 147 219 450 133 74 191 305 75 451 232 257 148 129 149 169 452 131 1.000 17.63 -4.6 96 94 96 96 450 61.5 2.445 -0.064 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6978 1762.8 5.1 scans 80% TIC 0.59% 0.210% 1104 0.6 178 41637 0.297% 895607 895607 1264477 0-0 0.928 17.70 -0.1 98 99 95 98 375 20.0 1.254 -0.001 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1250 1794.0 2.7 scans 63% 204 m/z 1.2% 0.0519% 1144 0.9 104 19295 221239 213981 7-0 8: 204 357 255 206 372 254 243 167 0.884 18.13 0.0 93 95 88 96 372 12.0 1.355 0.000 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1082 Citric acid 18.2460 1803.0 2.9 scans 82% 273 m/z 0.60% 0.143% 1156 1.2 180 40764 0.201% 611760 604269 855757 4-1 18: 273 73 147 363 347 375 274 465 275 348 149 148 305 211 364 221 376 183 0.981 18.32 -5.7 98 97 94 98 465 26.7 2.200 -0.075 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1076 Pregnane?? 18.7795 1843.7 3.0 scans 94% TIC 0.17% 0.531% 1206 1.0 327 140294 0.604% 2264985 2125174 2571530 3-1 0.994 18.86 -6.0 100 99 98 99 537 23.1 0.499 -0.079 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1074 Adenine 18.8773 1851.1 3.1 scans 37% 264 m/z 2.7% 0.0145% 1216 1.4 53 9104 0.250% 62060 62060 1064375 0-0 7: 264 279 265 266 192 280 84 0.977 18.94 -4.8 94 94 84 94 415 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1072 Fructose 18.9941 1860.0 5.0 scans 98% 73 m/z 0.012% 14.0% 1227 0.4 1358 1940877 59772334 59222980 1-0 20: 73 307 217 103 147 308 277 218 309 133 364 189 205 74 117 219 104 148 191 89 0.999 19.03 -3.0 100 98 99 100 364 155.1 1.310 -0.039 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1052 Fructose 19.1193 1869.6 3.8 scans 97% 73 m/z 0.013% 10.7% 1239 0.4 1309 1777209 24.9% 45747023 44367835 106011730 1-1 20: 73 217 307 103 147 308 218 277 309 205 364 74 133 219 117 89 262 104 189 148 0.999 19.10 1.2 100 99 100 100 364 152.8 1.366 0.015 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1070 Fructose 19.1193 1869.6 3.8 scans 77% 73 m/z (319) 0.019% 8.70% 1239 0.4 1168 1256928 20.1% 37055529 35938374 85575734 1-1 20: 73 217 307 103 147 308 218 277 309 205 364 74 133 219 117 89 262 104 189 148 0.972 19.19 -5.7 89 91 88 91 554 62.5 0.287 -0.075 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1066 Glucose 19.3298 1885.6 4.1 scans 51% 319 m/z (273) 0.011% 7.01% 1259 0.4 1038 2080801 29851391 27730368 1-1 20: 319 73 205 147 160 320 217 103 321 206 117 129 133 157 229 74 148 189 161 204 0.870 19.40 -5.3 81 84 68 84 319 563.5 29.561 -0.069 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1064 Mannose 19.3298 1885.6 4.1 scans 96% 319 m/z 0.011% 12.4% 1259 0.4 1412 2059869 53217763 49436495 1-1 20: 319 73 205 147 160 320 217 103 321 206 117 129 133 157 229 74 148 189 161 204 0.997 19.45 -9.6 100 99 99 100 319 560.7 15.816 -0.125 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1059 Glucose 19.5518 1902.7 3.1 scans 95% TIC 0.035% 3.01% 1280 0.5 762 697943 12848026 12617011 2-1 0.992 19.55 0.0 100 99 99 99 376 30.8 0.164 -0.000 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7180 1916.1 2.8 scans 78% 73 m/z 1.2% 0.0566% 1296 1.0 124 20421 0.267% 241317 241317 1136752 0-0 20: 73 205 244 319 147 117 217 320 206 103 321 89 307 74 59 148 133 75 149 291 0.992 19.79 -5.8 95 94 93 96 434 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN N406_R~2-N1016 Galacturonic acid 19.7748 1920.6 2.5 scans 20% 333 m/z 5.4% 0.00546% 1301 1.0 38 4495 0.0124% 23276 23276 52793 0-0 4: 333 160 334 335 0.903 19.79 -1.5 88 91 83 90 423 0.0 0.000 -0.018 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6962 2078.5 4.4 scans 97% TIC 0.012% 16.1% 1484 0.3 1538 2016346 68856896 65990187 1-1 0.999 21.75 -4.4 100 100 99 100 507 117.0 0.581 -0.053 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8624 2092.5 3.2 scans 96% 319 m/z 0.10% 1.10% 1499 1.2 444 223943 4687929 4482178 2-1 20: 319 73 205 147 320 217 103 321 117 206 74 133 204 229 148 157 89 129 291 207 0.998 21.93 -5.6 96 93 96 99 656 9.8 0.048 -0.068 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1865 2120.5 2.6 scans 94% 396 m/z 0.37% 0.261% 1530 1.3 255 66215 0.315% 1113574 1112383 1341112 1-0 20: 396 73 219 397 381 398 191 307 220 249 382 293 74 75 133 399 221 308 383 117 0.999 22.19 -0.0 94 90 87 100 396 96.6 14.401 0.000 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6621 2162.0 3.5 scans 96% 204 m/z 0.22% 0.332% 1575 1.2 250 108339 0.535% 1417058 1374352 2277762 1-0 20: 204 73 205 147 217 206 361 249 145 117 131 191 75 129 74 103 219 133 203 148 1.000 22.71 -4.5 92 88 92 99 518 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN WTF2-N1036 C18:0 23.3955 2227.3 3.4 scans 63% 341 m/z 10% 0.0101% 1645 1.8 43 2408 0.0145% 43283 43283 61734 0-0 6: 341 117 342 132 145 55 0.945 22.89 45.5 80 89 73 89 356 5.9 1.933 0.506 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1194 2293.5 2.6 scans 85% 204 m/z 2.4% 0.0232% 1714 1.3 74 9917 0.0511% 99060 87048 217558 1-2 10: 204 73 337 147 205 103 206 129 338 219 0.994 24.01 10.0 92 91 90 92 490 0.0 0.000 0.109 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6476 2343.4 3.3 scans 92% 73 m/z 0.21% 0.654% 1764 0.5 319 113356 2785208 2659772 2-1 20: 73 147 331 191 217 421 307 262 103 319 205 305 332 259 422 74 192 333 308 148 0.981 24.65 -0.2 98 96 96 99 466 18.7 0.343 -0.002 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7423 2352.4 2.7 scans 89% 73 m/z 1.6% 0.0616% 1773 1.2 117 14722 0.589% 262556 219718 2507667 1-2 20: 73 217 147 292 375 305 103 219 218 451 233 131 189 74 206 133 293 129 376 191 0.999 24.81 -6.0 91 90 88 90 451 13.6 1.351 -0.063 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4437 2519.7 2.7 scans 93% 73 m/z 0.84% 0.116% 1935 1.0 156 29112 0.233% 495873 433960 991997 5-0 20: 73 217 204 147 740 218 129 305 175 273 205 131 74 741 117 232 191 742 143 148 0.999 26.52 -7.9 97 96 94 96 740 23.2 2.224 -0.077 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5289 2528.5 2.8 scans 37% 512 m/z 3.1% 0.0322% 1943 1.0 86 7894 137372 130332 1-1 19: 512 455 513 247 456 57 483 514 248 349 263 497 457 235 515 409 423 383 249 0.734 26.57 -4.6 95 96 64 95 512 34.7 16.461 -0.044 G:\GCMS data\Nicotiana Panel polar\N38_REP6.FIN LQC1-N1014 Sucrose 27.3906 2618.1 3.4 scans 97% 361 m/z 0.0085% 10.3% 2025 0.6 1390 2879033 43963191 43731849 1-0 20: 361 73 362 217 437 363 147 271 103 451 438 169 129 218 319 243 191 439 364 74 1.000 27.49 -10.6 100 100 99 100 437 279.9 4.081 -0.099 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN EXBLK5S-N1006 Contamination 6.5887 1061.2 2.9 scans 72% 207 m/z 1.4% 0.0169% 48 2.0 80 17221 0.0276% 233907 161897 381246 11-4 9: 207 73 295 191 209 296 297 279 193 0.977 6.63 -2.1 97 96 90 97 295 24.2 9.244 -0.036 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1194 Alanine 7.3758 1107.8 5.7 scans 89% 116 m/z 0.44% 0.0549% 123 0.5 137 57386 0.0821% 758781 758781 1134070 0-0 16: 116 73 147 117 190 59 100 75 218 148 118 86 191 133 149 61 0.995 7.40 -1.7 97 96 97 97 283 0.0 0.000 -0.028 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN A-KETO~2-N1006 Contamination?? 7.8724 1137.2 2.7 scans 35% 156 m/z 13% 0.00117% 170 1.2 27 1909 16264 16264 1-0 1: 156 0.830 7.96 -5.0 81 87 79 93 156 15.5 34.200 -0.085 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1192 Contamination 7.9555 1142.2 2.7 scans 88% 73 m/z 1.2% 0.0204% 178 1.1 114 20897 0.0302% 282417 266294 417161 4-0 19: 73 147 133 220 235 59 148 72 146 86 89 160 103 100 74 149 131 236 134 0.994 7.99 -2.0 99 99 98 99 235 22.1 3.802 -0.033 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1188 Contamination 8.3722 1166.9 3.8 scans 82% 281 m/z 2.6% 0.0106% 217 1.4 70 9534 0.0133% 146996 146038 183717 2-1 8: 281 369 147 282 283 370 249 371 0.982 8.41 -2.5 98 97 81 99 369 20.1 8.308 -0.043 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1190 Contamination 8.4848 1173.5 >3 scans 74% 140 m/z 3.2% 0.00591% 228 0.8 58 7854 0.0166% 81670 78084 229300 3-0 7: 140 198 211 69 126 186 70 0.963 8.48 0.0 91 91 87 91 309 7.0 1.432 0.001 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1186 Phosphate 8.5227 1175.8 2.7 scans 92% TIC 0.27% 0.0581% 232 0.8 175 93260 802718 701520 1-8 0.992 8.56 -2.2 100 100 98 100 299 0.0 0.000 -0.038 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1184 Valine 9.1498 1212.8 3.0 scans 93% 144 m/z 0.43% 0.0384% 291 1.1 142 57871 0.0429% 531681 473763 592589 5-11 19: 144 73 218 145 147 219 100 146 59 74 220 156 132 133 128 148 143 114 60 0.997 9.19 -2.2 100 98 98 99 218 41.6 8.548 -0.038 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1180 Benzoic acid 9.7190 1246.1 3.1 scans 87% TIC 1.2% 0.0190% 345 1.6 98 20985 0.0239% 262761 257997 330137 2-0 0.958 9.76 -2.4 98 98 94 99 194 14.3 2.113 -0.040 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1178 Ethanolamine 9.9915 1262.1 3.3 scans 91% 174 m/z 0.29% 0.0629% 371 1.2 172 86865 0.491% 868910 778408 6782317 4-0 20: 174 73 175 147 100 86 176 59 133 262 130 74 131 114 101 148 172 87 188 134 0.995 10.03 -2.4 100 99 98 99 262 19.4 1.277 -0.042 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LEUCINE-N1054 Leucine 2TMS STD 10.0694 1266.6 3.1 scans 6.6% 158 m/z (299 205) 0.11% 0.0898% 379 1.2 203 215717 0.0933% 1241761 1096864 1288778 2-4 13: 158 159 232 102 100 260 233 142 157 170 84 262 156 0.710 10.11 -2.6 83 97 65 92 158 164.9 65.643 -0.045 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN VEN77_S6-N1002 Glycerol 10.0936 1268.0 3.9 scans 89% TIC 0.0092% 2.04% 381 0.5 946 2734269 28217109 27747961 1-2 0.936 10.09 0.0 100 99 97 99 299 586.9 38.695 -0.000 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LACTIC~1-N1034 Glycerol 10.1041 1268.6 2.5 scans 14% 205 m/z (299) 0.12% 0.192% 382 0.5 325 208529 0.199% 2659897 2466398 2748841 3-3 18: 205 147 117 218 103 206 204 149 175 129 219 203 217 101 293 118 220 294 0.730 10.11 -0.4 89 95 60 94 293 28.7 0.779 -0.006 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2346 1276.3 2.6 scans 93% 73 m/z 0.41% 0.0374% 394 1.4 152 61229 517214 495385 1-3 20: 73 198 77 211 199 70 74 239 381 212 72 75 289 200 63 143 170 92 78 104 0.996 10.24 -0.3 99 98 98 99 381 16.7 1.209 -0.005 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN TAB_REP6-N1003 Isoleucine 10.4282 1287.6 >4 scans 90% TIC 0.61% 0.0296% 413 1.5 120 40962 0.754% 409605 387069 10415208 6-0 0.996 10.45 -1.0 100 99 98 99 232 18.6 2.387 -0.017 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1176 Isoleucine 10.4282 1287.6 2.8 scans 78% 158 m/z 0.61% 0.0231% 413 1.1 112 41226 0.0405% 319185 297888 559438 2-1 13: 158 218 159 232 160 219 100 233 220 132 128 57 114 0.980 10.46 -1.8 99 98 95 99 260 8.7 0.597 -0.031 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN TAB_REP6-N1012 Proline 10.5187 1292.9 2.9 scans 96% TIC 0.019% 0.691% 421 0.7 590 1314758 0.789% 9549586 8174622 10898673 6-0 0.999 10.53 -0.9 99 97 98 100 216 109.7 3.472 -0.014 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1172 Maleic acid 10.5808 1296.5 3.4 scans 81% TIC 0.30% 0.0416% 427 1.1 173 82903 1.42% 575769 575769 19614849 0-0 0.994 10.62 -2.6 98 97 98 99 245 37.3 4.658 -0.043 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1170 Glycine 10.6439 1300.2 3.0 scans 82% TIC 0.48% 0.0277% 433 0.9 146 52431 1.45% 382842 382842 20029247 0-0 0.994 10.69 -2.6 100 99 98 99 276 22.1 2.282 -0.043 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7428 1306.2 3.1 scans 94% 147 m/z 0.020% 0.835% 443 0.5 654 1239122 11547732 10324864 1-2 20: 147 73 251 148 76 149 58 132 74 133 252 177 176 75 150 59 131 253 118 175 0.997 10.76 -0.9 99 97 96 99 251 164.0 6.308 -0.015 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1168 Glyceric acid 11.0122 1322.4 2.6 scans 97% 73 m/z 0.095% 0.271% 468 1.1 412 265406 3750538 3601323 1-2 20: 73 147 292 189 133 205 103 293 102 148 117 190 307 75 74 294 149 59 101 191 1.000 11.05 -2.5 100 100 99 100 292 125.9 9.339 -0.042 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0690 1325.8 2.7 scans 36% 184 m/z 13% 0.00154% 474 0.9 30 1948 0.00431% 21309 21309 59535 0-0 4: 184 134 285 174 0.913 11.06 0.3 85 88 60 88 285 11.3 13.941 0.006 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN TAB_REP6-N1018 Uracil 11.1300 1329.5 3.1 scans 40% 241 m/z 25% 0.000773% 479 1.9 20 1014 10684 10684 0-0 1: 241 0.905 11.15 -1.1 84 90 76 89 256 7.3 13.377 -0.018 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1162 Fumaric acid 11.3510 1342.8 2.7 scans 88% 245 m/z 0.73% 0.0247% 500 1.5 116 34477 0.0718% 341269 296407 991793 3-3 19: 245 147 246 73 75 247 83 133 148 155 115 53 84 74 127 59 157 54 61 0.986 11.39 -2.5 99 99 96 99 245 65.9 32.509 -0.042 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4509 1348.8 >4 scans 89% TIC 1.7% 0.0116% 510 1.4 80 14185 0.156% 160929 160929 2154871 0-0 0.991 11.45 0.3 99 98 99 100 145 23.6 8.577 0.005 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1160 Serine 11.5046 1352.1 2.6 scans 96% TIC 0.17% 0.130% 515 1.0 287 145676 0.136% 1795985 1680203 1878605 0-1 0.998 11.56 -3.1 100 99 99 99 306 29.5 1.051 -0.052 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7297 1365.6 3.1 scans 82% 147 m/z (306) 1.5% 0.0192% 536 1.2 94 16417 0.0218% 265611 241617 301129 0-1 20: 147 73 247 101 148 262 103 59 102 131 75 87 189 217 248 74 129 61 130 55 0.984 11.79 -3.3 94 95 94 97 262 11.7 1.545 -0.055 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN TAB_REP6-N1024 Threonine 11.9149 1376.8 2.6 scans 95% 73 m/z 0.24% 0.107% 554 1.1 262 104352 1487594 1422903 1-1 20: 73 218 219 117 291 292 147 101 220 57 75 293 100 203 320 128 74 133 221 202 0.994 11.92 -0.3 100 100 99 100 320 24.8 0.891 -0.006 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN N406_R~1-N1016 b-Alanine 12.6020 1419.0 3.8 scans 66% TIC 8.5% 0.00497% 619 1.6 47 2961 0.00861% 68670 61739 118932 1-1 0.913 12.60 -0.0 99 100 100 100 304 3.1 0.428 0.000 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1150 Citrulline 13.0292 1445.9 2.8 scans 61% 128 m/z (350) 5.2% 0.00782% 660 1.4 66 4876 108038 104280 1-1 8: 128 243 115 141 169 70 142 244 0.960 13.08 -2.9 86 88 82 91 258 6.6 0.990 -0.047 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1148 Glutamine?? 13.2870 1462.1 3.3 scans 68% 155 m/z 2.2% 0.00822% 684 1.9 62 11340 113616 112511 0-2 4: 155 229 156 139 0.955 13.35 -3.8 92 94 87 93 257 4.1 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1146 Malic acid 13.5574 1479.1 3.2 scans 98% 73 m/z 0.022% 1.26% 710 0.5 813 1151642 17506475 17474868 1-0 20: 73 147 233 245 133 189 75 148 190 335 175 74 191 149 55 234 101 307 217 265 1.000 13.62 -3.7 100 99 99 100 350 20.3 0.063 -0.060 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1144 Contamination Parabanica acid 13.7510 1491.3 3.1 scans 87% 115 m/z 1.1% 0.0332% 728 1.5 128 21495 459377 435712 2-1 17: 115 243 100 128 244 116 158 72 201 59 245 101 142 70 131 74 102 0.986 13.81 -3.5 98 98 95 98 243 49.9 15.122 -0.055 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN METHIO~1-N1066 Methionine 3TMS STD 14.0109 1508.1 3.2 scans 21% 176 m/z (232 156) 0.99% 0.0164% 753 1.2 92 25508 227733 213399 1-1 8: 176 128 178 177 250 251 294 160 0.749 14.06 -3.3 83 90 61 87 293 17.6 3.715 -0.049 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1140 Aspartic acid 14.0298 1509.3 2.9 scans 76% 232 m/z 0.14% 0.172% 755 1.1 314 174744 2380084 2371963 0-1 17: 232 73 233 218 100 234 202 188 74 133 216 117 149 334 101 142 131 0.808 14.09 -3.8 94 92 91 98 349 15.3 0.236 -0.057 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0404 1510.0 3.2 scans 45% 156 m/z 0.15% 0.0925% 756 0.9 220 158681 1279045 1232163 1-1 14: 156 258 230 157 158 140 121 112 214 154 228 273 93 53 0.455 14.11 -4.7 93 96 74 98 273 10.0 0.204 -0.070 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN TAB_REP6-N1032 GABA 14.2014 1520.7 2.8 scans 98% 174 m/z 0.040% 0.524% 771 0.8 555 629021 7242534 7219193 0-1 20: 174 73 304 147 175 305 176 75 86 246 59 306 216 143 100 133 172 148 130 74 1.000 14.19 0.9 100 99 99 100 304 173.2 9.778 0.013 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3687 1531.8 3.4 scans 83% 73 m/z 1.0% 0.0323% 787 1.2 121 24704 0.208% 447391 382036 2873161 8-1 19: 73 292 147 220 205 294 221 148 206 133 291 149 130 129 409 222 219 319 177 0.987 14.62 -16.8 95 94 93 96 409 9.3 0.591 -0.252 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6601 1551.1 4.1 scans 98% 73 m/z 0.013% 3.36% 815 0.4 1185 1911328 46434994 46390331 1-0 20: 73 292 147 220 205 293 217 117 103 294 148 221 319 74 133 291 149 102 206 75 1.000 14.69 -2.1 100 100 100 100 409 96.0 0.657 -0.032 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3924 1599.7 3.3 scans 66% 217 m/z 0.86% 0.0187% 884 1.4 89 29192 259673 231978 2-1 5: 217 218 219 230 215 0.970 15.44 -3.3 94 94 89 94 393 0.0 0.000 -0.048 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN TAB_REP6-N1036 Glutamic acic 15.5092 1607.8 3.1 scans 62% TIC 4.7% 0.00318% 896 1.1 47 5294 44053 44053 0-0 0.964 15.50 0.4 97 97 93 98 363 4.3 0.842 0.006 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1118 Phenylalanine 15.6145 1615.1 3.4 scans 92% TIC 0.43% 0.0876% 906 1.4 202 58064 0.106% 1210965 1126212 1464207 1-3 0.989 15.66 -3.1 96 94 93 99 294 14.1 0.492 -0.045 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN EXBLK1-N1004 Contamination triHydroxy-Benzene 15.8586 1632.1 3.2 scans 23% 342 m/z 15% 0.00140% 929 1.2 27 1675 19460 19460 0-0 4: 342 327 328 343 1.000 15.90 -2.7 91 94 69 94 342 14.5 28.078 -0.039 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1116 Arabinofuranose 15.9333 1637.2 7.0 scans 60% TIC 2.3% 0.0156% 936 0.6 80 10630 0.118% 216494 216494 1629966 0-0 0.881 15.96 -1.6 85 82 86 93 333 6.3 0.633 -0.023 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN TAB_REP6-N1040 Xylose 16.1153 1649.9 3.3 scans 80% 73 m/z 0.99% 0.0258% 953 1.1 124 25564 0.121% 356843 353320 1671406 0-3 20: 73 103 307 217 147 308 277 189 160 133 218 309 74 204 205 233 89 105 219 117 0.979 16.00 7.8 95 95 93 96 307 36.7 8.839 0.111 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1112 Asparagine?? 16.2163 1656.9 3.0 scans 79% 73 m/z 0.92% 0.0323% 963 1.0 137 27506 447188 396295 1-1 20: 73 116 231 132 188 147 75 232 141 100 74 131 133 189 333 190 348 159 258 117 0.989 16.26 -3.1 86 83 90 93 348 10.5 0.586 -0.046 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1108 Ribose 16.3321 1664.9 3.4 scans 92% TIC 0.22% 0.146% 974 1.0 267 112847 0.148% 2019036 1928337 2044365 1-2 0.995 16.38 -3.0 95 93 95 98 467 7.8 0.085 -0.043 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0160 1713.1 6.4 scans 55% TIC 2.7% 0.0122% 1039 2.0 79 9300 0.295% 169319 169319 4074916 0-0 0.935 17.06 -3.4 85 85 76 86 510 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN TAB_REP6-N1044 Putrescine 17.2064 1727.0 3.0 scans 88% 174 m/z 0.060% 0.252% 1057 1.0 371 419647 3481477 3421348 1-0 18: 174 175 214 176 86 172 200 59 361 130 100 146 173 142 215 362 376 99 0.993 17.19 1.4 98 96 96 99 376 28.0 0.568 0.018 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3948 1740.7 4.2 scans 60% 333 m/z 2.6% 0.0173% 1075 1.4 87 9562 0.105% 239803 238991 1450394 1-0 13: 333 292 103 307 147 217 334 293 294 393 319 308 277 0.938 17.44 -3.6 95 96 88 96 511 7.0 0.638 -0.048 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5915 1755.1 4.3 scans 84% TIC 0.21% 0.111% 1093 0.7 221 116763 0.197% 1535603 1535603 2721215 0-0 0.989 17.63 -2.9 95 94 94 94 450 35.3 2.548 -0.040 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1088 Glutamine?? 17.6704 1760.8 7.9 scans 70% TIC 0.60% 0.0693% 1101 1.6 171 41831 0.337% 957458 957458 4655073 0-0 0.979 17.73 -4.1 88 86 89 92 511 7.3 0.181 -0.056 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7178 1764.3 3.6 scans 47% 334 m/z (217 156) 1.3% 0.0383% 1105 0.9 127 19276 530136 483687 2-2 16: 334 204 256 335 375 255 167 336 285 166 211 151 376 99 268 225 0.955 17.70 1.4 87 92 86 92 375 17.0 1.801 0.019 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1086 Fructofuranose 18.1524 1796.0 7.4 scans 97% 217 m/z 0.010% 6.39% 1147 0.3 1261 2497058 11.0% 88293678 85499299 151946012 1-0 20: 217 73 147 218 438 219 257 74 191 129 103 133 205 75 230 319 215 303 189 148 0.998 18.13 1.4 93 91 93 96 437 375.7 8.915 0.018 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1082 Citric acid 18.3028 1807.3 3.5 scans 48% 273 m/z 0.094% 0.398% 1161 0.6 446 267595 0.807% 5509491 5325450 11147312 0-1 19: 273 363 375 347 274 465 275 211 364 376 466 348 305 183 221 365 349 377 467 0.898 18.32 -1.4 95 95 90 97 465 73.7 2.729 -0.018 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.6290 1832.2 6.2 scans 82% 217 m/z 0.082% 0.529% 1192 1.0 386 305919 7316365 6551963 7-5 20: 217 73 147 218 319 219 189 133 74 129 103 75 148 332 149 190 321 231 131 317 0.995 18.67 -3.1 93 91 92 95 319 70.5 3.344 -0.040 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1076 Pregnane?? 18.8373 1848.1 4.1 scans 93% 345 m/z 0.012% 2.91% 1212 0.8 1085 2064026 40251062 38014348 2-1 20: 345 73 346 255 147 347 204 334 191 256 435 372 419 133 239 74 257 148 348 75 1.000 18.86 -1.6 100 99 99 100 537 83.5 0.595 -0.021 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1074 Adenine 18.9026 1853.1 3.6 scans 21% 264 m/z 0.32% 0.0361% 1218 1.1 134 77859 0.0428% 499255 475982 591208 0-1 11: 264 279 265 266 280 84 124 165 164 237 248 0.954 18.94 -2.8 93 94 83 94 415 3.2 0.056 -0.036 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1072 Fructose 19.0583 1864.9 9.6 scans 95% 73 m/z 0.011% 9.10% 1233 0.6 1321 2166509 125720910 123982890 1-0 20: 73 103 307 217 147 308 218 309 189 74 133 205 117 104 219 148 75 172 278 89 1.000 19.03 1.9 100 99 99 99 364 150.3 1.301 0.025 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN TAB_REP6-N1050 Fructose 19.0793 1866.5 >3 scans 90% 256 m/z 0.013% 2.55% 1235 1.1 1235 1834727 13.3% 35360186 35360186 183716541 0-0 20: 256 288 305 260 333 293 265 569 113 304 233 556 274 246 249 128 258 165 237 127 0.998 18.98 7.5 100 99 98 99 364 141.7 1.322 0.099 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN TAB_REP6-N1052 Fructose 19.2014 1875.9 8.4 scans 93% 309 m/z 0.013% 6.81% 1246 0.3 1259 1884521 49.6% 94143957 94143957 685138380 0-0 14: 309 204 148 71 149 466 119 245 174 206 569 402 360 121 0.998 19.10 7.5 99 98 98 99 364 150.9 1.441 0.097 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1068 Galactopyranose 19.3308 1885.7 >6 scans 80% TIC 0.0084% 3.55% 1259 0.6 1140 2991608 18.1% 49041723 49041723 250020256 0-0 1.000 19.32 1.2 98 96 96 97 435 92.5 0.662 0.016 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1064 Mannose 19.4213 1892.6 12.2 scans 92% 148 m/z 0.010% 8.75% 1267 0.2 1348 2356484 18.2% 120903570 115281105 251401583 0-2 20: 148 149 162 158 134 82 86 115 67 91 465 144 555 151 69 433 211 182 110 136 0.999 19.45 -2.6 98 97 97 98 319 544.9 16.381 -0.034 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1066 Glucose 19.4213 1892.6 12.2 scans 65% 148 m/z (73) 0.010% 6.48% 1267 0.2 1134 2356484 13.5% 89613808 85446434 186479196 0-2 20: 148 149 162 158 134 82 86 115 67 91 465 144 555 151 69 433 211 182 110 136 0.966 19.40 1.7 97 98 94 98 319 544.9 23.163 0.022 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5612 1903.5 4.0 scans 40% 174 m/z (319) 0.029% 0.641% 1281 0.8 503 854892 0.749% 8857099 8089180 10346142 1-0 19: 174 175 338 86 176 339 100 179 59 340 264 250 124 130 173 177 162 91 164 0.980 19.49 5.7 93 94 92 96 338 113.8 5.150 0.071 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1062 Glucose 19.6160 1907.9 3.3 scans 88% TIC 0.014% 3.43% 1286 0.3 1160 1761429 3.75% 47422817 46604337 51799777 1-0 0.977 19.66 -3.2 99 99 97 98 319 452.4 15.256 -0.040 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1060 Lysine 19.6770 1912.8 3.9 scans 90% TIC 0.23% 0.195% 1292 1.0 309 109887 4.05% 2702219 2691523 55943759 0-1 0.996 19.69 -1.3 85 79 65 96 479 0.0 0.000 -0.016 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN N406_R~2-N1016 Galacturonic acid 19.7990 1922.6 2.7 scans 25% 333 m/z 1.7% 0.00686% 1303 1.2 66 14104 0.0118% 94842 94033 162997 0-1 8: 333 160 334 364 335 393 423 274 0.883 19.79 0.5 95 96 92 97 423 9.0 1.894 0.006 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN BRA4_R~2-N1010 Tyrosine 19.8548 1927.1 3.6 scans 74% 218 m/z 0.27% 0.0731% 1309 0.9 186 93192 1010091 984441 2-2 15: 218 280 219 220 179 354 100 382 281 355 180 282 163 265 383 0.976 19.82 3.0 80 76 73 89 382 19.4 1.084 0.037 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1056 Ascorbic acid 19.9348 1933.5 2.9 scans 54% TIC 1.8% 0.00757% 1316 1.0 91 14078 0.117% 104657 104657 1616153 0-0 0.942 19.99 -4.2 88 87 82 93 449 10.5 1.323 -0.051 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.3641 1968.0 5.8 scans 98% 204 m/z 0.0060% 6.65% 1357 0.2 1433 4164973 91878881 91848033 1-0 20: 204 191 73 217 205 147 206 192 218 129 189 133 193 74 103 203 75 148 231 117 0.998 20.41 -4.0 100 99 99 100 217 323.3 5.121 -0.050 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1054 Gluconic acid 3 20.5187 1980.4 2.5 scans 64% 333 m/z 0.98% 0.0310% 1372 1.2 138 25771 0.0715% 429562 425595 987649 1-0 12: 333 292 334 435 293 335 423 359 433 277 434 294 0.953 20.55 -2.5 95 95 89 95 613 4.2 0.091 -0.030 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1052 Gluconic acid 2 20.5619 1983.9 2.6 scans 76% 73 m/z 0.49% 0.0469% 1376 0.9 196 50922 0.119% 647865 647865 1643780 0-0 20: 73 292 147 319 205 217 333 305 293 103 433 320 435 307 277 294 359 189 74 434 0.973 20.60 -2.8 95 94 95 95 613 6.7 0.118 -0.035 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1050 Gluconic acid 20.7576 1999.6 2.9 scans 80% 73 m/z 0.73% 0.0398% 1394 1.8 152 34315 0.0543% 550646 549239 750061 1-0 20: 73 292 147 319 305 205 217 359 103 433 293 307 294 435 218 74 277 320 539 206 0.963 20.65 8.7 87 85 89 91 613 4.7 0.094 0.110 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1048 Galactaric acid 21.0996 2028.4 2.9 scans 46% 333 m/z 4.1% 0.00545% 1427 0.9 55 6099 0.00551% 75334 74338 76111 0-2 4: 333 292 334 335 0.914 21.15 -4.3 84 84 74 86 627 4.3 0.615 -0.051 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1044 myo-Inositol 21.7424 2082.4 8.2 scans 39% 306 m/z (73) 0.013% 3.94% 1488 0.4 907 1915374 54499518 51399460 1-1 20: 306 319 320 367 435 344 345 294 421 271 245 269 381 153 346 522 195 615 136 347 0.952 21.77 -2.0 94 94 93 98 612 38.1 0.177 -0.025 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.7498 2083.0 8.0 scans 96% TIC 0.011% 9.22% 1489 0.2 1452 2122743 127437173 127338941 1-0 0.999 21.75 0.1 100 99 99 100 507 105.4 0.528 0.001 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1040 myo-Inositol 21.7498 2083.0 7.7 scans 57% 73 m/z (306) 0.012% 5.24% 1489 0.2 1117 1997739 72511652 72462097 1-0 20: 73 217 147 318 191 265 204 218 133 432 129 74 192 148 103 219 291 75 221 149 0.961 21.78 -2.6 88 92 95 92 378 0.0 0.000 -0.031 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8792 2093.9 3.0 scans 92% 319 m/z 0.20% 0.172% 1501 1.1 305 123327 2385118 2295996 0-2 20: 319 73 205 147 320 217 103 321 262 206 117 74 229 204 133 148 89 157 291 263 0.995 21.93 -4.2 97 95 97 99 656 8.3 0.074 -0.051 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN GUANINE-N1026 Guanine 3TMS STD 22.0371 2107.4 3.0 scans 74% TIC 0.40% 0.0395% 1516 1.3 153 62419 0.173% 546383 543878 2389696 0-1 0.926 22.05 -1.0 99 99 93 99 367 48.7 10.074 -0.012 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1032 trans-Caffeic acid 22.2075 2122.3 2.6 scans 90% TIC 0.32% 0.0921% 1532 1.1 255 78729 0.171% 1272797 1272797 2362070 0-0 0.994 22.25 -3.7 96 93 91 100 396 72.2 8.004 -0.042 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6631 2162.1 5.9 scans 81% TIC 0.72% 0.0446% 1575 2.1 123 34946 616581 604055 2-0 0.977 22.71 -4.4 98 97 97 99 518 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1024 Glycerolgalactose 24.1225 2293.7 2.6 scans 95% 204 m/z 0.10% 0.181% 1714 1.1 344 235524 2504938 2384057 1-3 20: 204 73 147 217 205 337 103 129 206 338 218 219 191 361 133 74 75 148 339 101 0.999 24.18 -5.4 99 98 99 99 581 7.0 0.041 -0.059 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7444 2352.6 2.6 scans 87% 73 m/z 0.44% 0.0787% 1773 1.1 229 56823 0.144% 1087290 1018127 1989111 4-0 20: 73 217 204 147 292 375 305 103 451 218 219 205 376 293 129 275 74 131 133 233 0.992 24.81 -5.8 97 97 97 97 451 28.9 1.597 -0.061 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3890 2514.0 3.3 scans 97% 204 m/z 0.011% 2.29% 1930 0.5 1056 2239838 31682621 30399650 1-5 20: 204 73 205 495 217 147 206 363 496 273 117 497 129 319 191 231 103 130 218 259 1.000 26.35 4.0 100 99 98 99 495 215.9 4.227 0.039 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5384 2529.5 2.7 scans 64% 512 m/z (204) 1.8% 0.0183% 1944 1.0 105 13617 252990 252484 0-1 14: 512 455 513 247 456 483 514 457 248 349 263 484 515 409 0.958 26.57 -3.6 94 96 83 96 512 41.4 15.531 -0.035 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1010 Sucrose 27.4149 2620.7 5.9 scans 99% 440 m/z 0.0078% 6.13% 2027 0.2 1340 3225119 84693399 83360459 1-1 20: 440 192 332 207 441 187 463 151 275 467 172 261 176 178 208 162 421 466 160 100 0.991 27.58 -17.5 100 99 98 99 437 262.1 3.855 -0.164 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1020 Sucrose 27.4212 2621.4 6.0 scans 10% 438 m/z (361 73) 0.063% 0.637% 2028 0.2 432 401025 8808998 8790030 1-0 20: 438 75 365 104 359 220 105 241 201 222 99 144 54 455 97 367 442 481 200 343 0.404 27.46 -4.2 85 88 66 98 437 224.8 27.162 -0.040 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN TAB_REP6-N1070 Sucrose 27.4264 2621.9 5.9 scans 83% 73 m/z (438) 0.0077% 5.28% 2028 0.2 1239 3274927 73046386 71714305 1-1 20: 73 363 437 103 451 364 439 74 453 321 450 69 81 102 346 89 55 134 132 150 0.970 27.41 1.8 93 93 75 97 451 0.0 0.000 0.016 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN LQC1-N1006 Trehalose 28.3724 2724.1 2.8 scans 82% 361 m/z 0.35% 0.0549% 2118 1.0 194 70638 0.112% 758645 724708 1547087 0-1 19: 361 73 362 191 147 217 363 271 103 129 243 169 331 218 319 192 364 205 229 0.995 28.47 -10.8 98 97 94 99 565 3.2 0.000 -0.096 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN GUA35_L1-N1020 Galactinol 30.6114 2980.2 2.9 scans 88% TIC 0.52% 0.0395% 2331 0.9 148 48221 545675 501995 1-4 0.994 30.55 7.8 83 81 93 85 641 0.0 0.000 0.066 G:\GCMS data\Nicotiana Panel polar\N406_REP1.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6236 3100.4 3.3 scans 95% 204 m/z 0.18% 0.153% 2427 1.3 276 138604 2119262 2075236 1-2 20: 204 73 217 205 597 129 361 147 103 206 337 598 191 243 218 599 219 362 305 271 0.995 31.68 -6.2 99 98 98 98 597 50.3 3.311 -0.051 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN EXBLK5S-N1006 Contamination 6.5910 1061.3 3.0 scans 73% TIC 0.88% 0.0234% 48 2.1 101 29518 0.0947% 283684 239888 1147565 2-2 0.959 6.63 -2.0 99 98 94 98 295 31.1 9.457 -0.034 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.7646 1071.6 9.1 scans 17% 117 m/z 6.5% 0.00427% 65 1.1 32 4029 0.00800% 51852 31358 96943 0-5 2: 117 147 0.741 6.82 -3.3 85 90 65 92 295 3.7 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1194 Alanine 7.3812 1108.1 6.7 scans 83% 116 m/z 0.81% 0.0497% 123 0.5 96 32330 0.0617% 602705 596429 747675 0-1 6: 116 73 117 190 118 94 0.996 7.40 -1.4 96 95 95 96 283 3.0 0.095 -0.023 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN A-KETO~2-N1006 Contamination?? 7.8831 1137.9 2.8 scans 75% 156 m/z 1.7% 0.0122% 171 1.2 78 15167 0.0157% 148008 136187 190251 1-1 9: 156 75 55 157 54 61 76 158 82 0.971 7.96 -4.3 99 99 96 99 156 42.1 29.319 -0.074 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1192 Contamination 7.9641 1142.7 2.8 scans 82% 147 m/z 1.5% 0.0192% 179 1.0 100 17376 0.0336% 233276 231993 407162 1-0 20: 147 73 133 235 220 59 146 148 86 72 103 89 100 149 160 131 74 70 221 134 0.991 7.99 -1.5 99 99 97 99 235 19.2 3.675 -0.025 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1188 Contamination 8.3745 1167.0 4.2 scans 86% 281 m/z 1.1% 0.0344% 217 1.4 103 22069 0.0425% 417585 358655 515011 6-0 14: 281 147 73 369 282 370 265 249 191 267 148 266 193 372 0.995 8.41 -2.4 98 97 83 99 369 29.4 8.179 -0.040 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1190 Contamination 8.4713 1172.8 3.3 scans 67% 73 m/z 3.5% 0.00701% 227 1.6 57 7392 0.0220% 85042 85042 266594 0-0 9: 73 211 140 198 186 77 69 126 70 0.957 8.48 -0.7 92 92 88 93 309 5.8 1.033 -0.013 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1186 Phosphate 8.5281 1176.1 2.4 scans 91% 241 m/z 0.30% 0.0443% 232 1.2 161 86273 0.0447% 537304 527788 541670 1-3 19: 241 242 211 133 163 243 256 195 135 98 89 59 181 212 137 119 225 213 257 0.996 8.56 -1.9 100 99 98 100 299 0.0 0.000 -0.033 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1184 Valine 9.1542 1213.1 3.3 scans 74% 144 m/z 2.4% 0.00778% 291 0.9 55 10798 0.0112% 94359 80540 135721 6-3 6: 144 73 218 145 147 219 0.964 9.19 -1.9 96 95 89 97 218 17.4 10.020 -0.034 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1180 Benzoic acid 9.7234 1246.4 3.2 scans 72% 179 m/z 3.9% 0.00786% 346 1.3 53 6645 95244 75041 5-8 8: 179 105 135 77 180 51 136 194 0.915 9.76 -2.1 96 96 91 98 194 8.0 2.303 -0.036 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1178 Ethanolamine 9.9917 1262.1 3.4 scans 90% 174 m/z 0.45% 0.0494% 371 1.0 136 57400 0.361% 599755 528441 4374563 2-0 20: 174 73 175 100 86 147 176 59 133 262 130 131 74 188 148 172 87 116 117 72 0.996 10.03 -2.4 100 99 98 99 262 14.9 1.205 -0.042 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN VEN77_S6-N1002 Glycerol 10.0896 1267.8 3.3 scans 96% 299 m/z 0.011% 1.78% 380 0.5 843 2374710 21615766 21593394 0-1 20: 299 300 314 73 301 133 283 211 315 207 193 191 316 302 135 225 298 284 74 75 0.988 10.09 -0.2 100 99 96 99 299 526.8 39.316 -0.004 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LACTIC~1-N1034 Glycerol 10.0970 1268.2 2.6 scans 3.6% 205 m/z (299) 0.41% 0.0614% 381 0.7 165 63272 0.0672% 744593 679450 814323 2-3 12: 205 117 218 206 204 175 129 203 219 217 293 220 0.546 10.11 -0.8 86 97 58 93 293 12.9 0.610 -0.013 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2358 1276.4 2.6 scans 89% 73 m/z 0.54% 0.0333% 394 1.2 130 48339 403728 366058 1-2 19: 73 198 77 211 199 70 74 239 289 72 381 212 170 92 200 143 63 189 115 0.996 10.24 -0.2 99 98 97 99 381 13.7 1.119 -0.004 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1176 Isoleucine 10.4284 1287.6 2.8 scans 31% 158 m/z 4.8% 0.00216% 413 1.1 31 5451 0.00366% 26285 24658 44352 1-0 2: 158 159 1.000 10.46 -1.8 84 85 60 85 260 0.0 0.000 -0.031 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN TAB_REP6-N1012 Proline 10.5241 1293.2 2.8 scans 96% TIC 0.014% 1.02% 422 0.5 674 1867439 1.12% 12391947 11353433 13572050 2-0 1.000 10.53 -0.6 99 97 98 100 216 126.4 3.533 -0.009 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1172 Maleic acid 10.5862 1296.9 3.0 scans 90% TIC 0.16% 0.0993% 428 0.9 224 158190 2.23% 1204340 1204340 27022922 0-0 0.994 10.62 -2.2 99 98 98 99 245 52.0 5.386 -0.038 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1170 Glycine 10.6452 1300.3 3.2 scans 70% TIC 0.87% 0.0142% 433 1.0 102 29880 1.75% 173029 173029 21206329 0-0 0.947 10.69 -2.5 99 99 91 98 276 15.9 2.453 -0.042 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7451 1306.3 3.1 scans 94% TIC 0.017% 1.13% 443 0.6 682 1467901 13747749 12322563 2-2 0.995 10.76 -0.8 99 97 96 99 251 165.9 5.943 -0.013 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1168 Glyceric acid 11.0166 1322.7 2.6 scans 97% 73 m/z 0.068% 0.477% 469 0.8 482 381375 5783469 5612571 1-1 20: 73 147 292 189 133 205 103 293 307 102 117 190 148 75 74 294 59 149 191 101 0.999 11.05 -2.2 100 99 99 100 292 148.4 9.485 -0.037 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0723 1326.0 2.6 scans 45% 184 m/z 8.4% 0.00296% 474 0.8 39 3105 0.00828% 35891 34221 100336 0-1 5: 184 285 134 174 86 1.000 11.06 0.5 89 90 66 90 285 14.8 14.682 0.009 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN TAB_REP6-N1018 Uracil 11.1292 1329.4 2.6 scans 59% 241 m/z 9.1% 0.00269% 479 1.8 35 2873 32644 31192 0-5 5: 241 255 256 99 242 0.976 11.15 -1.2 97 97 95 99 256 11.8 11.672 -0.019 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1164 Itaconic acid 11.2102 1334.3 2.7 scans 82% 147 m/z 1.5% 0.0136% 487 1.1 83 16861 165636 150052 4-3 12: 147 73 259 148 75 149 215 67 230 74 141 133 0.991 11.25 -2.6 88 85 90 94 259 15.9 3.610 -0.042 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1162 Fumaric acid 11.3522 1342.9 2.6 scans 93% 245 m/z 0.33% 0.0642% 500 1.3 174 79060 0.126% 778919 729397 1526856 2-3 20: 245 147 73 246 75 143 83 247 240 133 149 148 155 84 74 53 115 127 59 241 0.996 11.39 -2.4 98 97 97 98 245 96.1 30.640 -0.041 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4501 1348.8 >4 scans 88% TIC 1.5% 0.0150% 510 1.4 84 16624 0.226% 182126 182126 2738646 0-0 0.993 11.45 0.3 92 89 97 99 145 23.1 7.648 0.004 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1160 Serine 11.5048 1352.1 2.5 scans 95% 204 m/z 0.16% 0.160% 515 1.1 292 162715 1944352 1806181 1-2 20: 204 73 218 205 147 100 219 188 278 206 133 75 74 220 306 116 59 189 279 132 0.999 11.56 -3.1 100 99 99 100 306 30.4 1.089 -0.052 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7300 1365.6 3.0 scans 82% 147 m/z 1.0% 0.0286% 536 0.9 111 24164 0.0430% 347676 334598 521070 0-1 20: 147 73 247 101 75 148 116 131 262 103 102 248 59 217 87 129 130 66 133 219 0.980 11.79 -3.3 86 81 92 97 262 12.9 1.349 -0.055 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN TAB_REP6-N1024 Threonine 11.9141 1376.7 2.6 scans 95% 73 m/z 0.21% 0.144% 554 1.1 275 122882 1756830 1671892 1-2 20: 73 218 219 117 291 292 147 101 220 57 75 293 100 203 74 133 128 320 129 132 0.996 11.92 -0.4 100 98 99 100 320 25.8 0.879 -0.007 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN N406_R~1-N1016 b-Alanine 12.6012 1418.9 2.7 scans 78% 248 m/z 2.9% 0.0124% 619 1.2 79 8787 151013 151013 0-0 10: 248 174 290 249 175 86 100 291 130 176 0.969 12.60 -0.1 95 92 89 100 304 5.8 0.546 -0.001 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1148 Glutamine?? 13.2925 1462.4 3.1 scans 89% TIC 0.39% 0.0550% 685 1.3 154 66945 0.0928% 666538 640937 1124541 1-1 0.991 13.35 -3.5 98 96 97 99 257 12.2 0.627 -0.055 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1146 Malic acid 13.5566 1479.1 2.9 scans 99% 73 m/z 0.019% 1.57% 710 0.5 842 1329544 19027801 19007565 1-0 20: 73 147 233 245 133 189 148 75 190 175 335 74 191 149 55 101 234 217 265 59 0.999 13.62 -3.7 100 99 99 100 350 21.4 0.065 -0.060 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1144 Contamination Parabanica acid 13.7544 1491.5 2.9 scans 93% 243 m/z 0.47% 0.0921% 729 1.1 205 54946 0.121% 1117244 1061849 1466266 4-1 19: 243 115 100 73 128 116 244 201 59 72 158 101 75 245 70 142 131 117 74 0.998 13.81 -3.3 100 99 99 99 243 79.2 14.926 -0.052 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN TAB_REP6-N1028 Aspartic acid 14.0269 1509.1 2.5 scans 33% 232 m/z (73) 0.10% 0.133% 755 1.1 260 248408 1619799 1618102 0-1 20: 232 233 218 100 234 202 188 306 216 117 219 292 334 204 101 130 142 349 132 220 0.964 14.02 0.6 92 93 87 97 258 7.8 0.000 0.010 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0343 1509.6 4.5 scans 81% 73 m/z (232) 0.057% 0.533% 755 1.6 403 456870 6470599 6218999 2-1 9: 73 75 74 133 149 131 70 60 160 0.980 14.11 -5.1 96 98 97 99 273 15.0 0.138 -0.076 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1140 Aspartic acid 14.0343 1509.6 4.5 scans 69% 73 m/z (156) 0.092% 0.454% 755 1.6 372 282449 5506716 5292595 2-1 9: 73 75 74 133 149 131 70 60 160 0.977 14.09 -3.5 96 97 98 99 349 19.3 0.270 -0.053 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN TAB_REP6-N1032 GABA 14.1900 1520.0 2.9 scans 91% TIC 0.13% 0.199% 770 1.4 300 193292 0.877% 2418445 2272636 10627400 0-8 0.990 14.19 0.2 100 99 98 99 304 91.8 9.339 0.002 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6803 1552.5 6.0 scans 98% 73 m/z 0.010% 6.73% 817 0.3 1290 2459273 81617932 81557825 1-0 20: 73 147 220 205 293 217 117 103 294 221 148 74 133 102 149 206 75 245 130 189 0.999 14.69 -0.7 100 100 100 100 409 103.1 0.640 -0.012 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN A-KETO~2-N1004 a-Ketoglutaric acid 1MEOX 2TMS STD 14.8476 1563.6 3.1 scans 63% 73 m/z 3.0% 0.00867% 833 0.9 62 8706 0.0278% 105138 99825 336878 1-0 10: 73 198 75 147 156 288 304 89 186 55 0.948 14.90 -3.4 85 85 84 91 304 9.8 2.515 -0.052 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1126 Pyrazine 15.0823 1579.1 2.9 scans 67% 73 m/z 1.2% 0.0268% 855 1.6 110 20940 324885 302126 1-2 20: 73 227 301 344 147 139 345 228 302 154 211 74 126 346 303 133 59 128 112 186 0.801 15.13 -3.3 96 96 92 97 344 31.4 8.084 -0.050 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3916 1599.6 2.8 scans 66% TIC 1.6% 0.0131% 884 2.4 78 16011 0.157% 159626 142391 1902511 0-1 0.944 15.44 -3.4 87 86 85 93 393 0.0 0.000 -0.048 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1120 Glutamic acid 15.5147 1608.2 2.6 scans 87% 246 m/z 0.61% 0.0327% 896 1.1 136 42588 396757 387721 0-1 20: 246 73 247 128 147 248 348 75 156 230 84 100 363 56 149 129 218 74 349 140 0.989 15.56 -3.1 99 98 96 98 363 13.9 1.057 -0.045 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN TAB_REP6-N1038 Xylose 15.8977 1634.8 >3 scans 64% TIC 3.4% 0.00627% 932 0.0 60 7616 0.148% 76074 74387 1793450 1-0 0.948 15.89 0.6 87 85 83 96 307 15.6 6.829 0.008 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN TAB_REP6-N1042 Ribose 16.1103 1649.5 3.0 scans 74% 73 m/z 1.1% 0.0237% 953 0.8 111 22264 0.180% 287895 286375 2181222 0-1 20: 73 103 307 217 308 147 160 277 189 218 309 133 89 74 205 117 105 219 204 129 0.976 16.10 0.5 96 95 95 97 307 33.5 9.150 0.007 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1112 Asparagine?? 16.2155 1656.8 2.7 scans 80% 73 m/z 0.96% 0.0330% 963 1.0 130 27320 0.121% 400112 378510 1466266 4-1 20: 73 116 231 132 188 147 75 141 100 232 218 204 74 202 131 133 117 233 348 258 0.977 16.26 -3.2 92 90 94 96 348 10.4 0.639 -0.047 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1108 Ribose 16.3249 1664.4 2.9 scans 88% 73 m/z 0.26% 0.128% 973 0.9 240 99145 0.139% 1559911 1450491 1684388 1-0 20: 73 103 307 217 147 189 308 277 160 218 309 74 104 133 219 105 75 89 117 205 0.979 16.38 -3.5 95 94 95 98 467 6.9 0.082 -0.050 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0036 1712.2 3.4 scans 45% 217 m/z 4.2% 0.0122% 1038 1.2 71 6181 0.0559% 148166 146852 677391 0-1 15: 217 305 307 319 103 205 306 218 129 277 204 321 189 320 219 0.769 17.06 -4.3 91 93 66 92 510 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN TAB_REP6-N1044 Putrescine 17.2024 1726.7 3.1 scans 90% TIC 0.070% 0.288% 1056 1.4 339 369950 3494145 3227121 1-1 0.989 17.19 1.1 98 96 96 99 376 26.1 0.590 0.014 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3866 1740.1 3.2 scans 87% TIC 0.54% 0.0647% 1074 1.2 176 48359 0.465% 784378 784378 5634824 0-0 0.986 17.44 -4.2 99 98 97 99 511 12.4 0.499 -0.056 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5791 1754.2 3.3 scans 93% TIC 0.10% 0.249% 1092 0.8 323 262217 0.481% 3028303 3028303 5828711 0-0 0.998 17.63 -3.8 97 95 96 97 450 49.5 2.355 -0.053 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1088 Glutamine?? 17.6538 1759.6 2.9 scans 84% 156 m/z (319) 0.50% 0.0938% 1099 1.2 196 51573 0.124% 1137181 1022779 1502620 1-15 17: 156 155 245 157 347 128 203 246 158 114 100 145 362 139 273 227 56 0.948 17.73 -5.3 85 85 85 94 511 6.3 0.105 -0.072 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7075 1763.5 3.5 scans 27% 334 m/z (73) 2.3% 0.0272% 1104 0.8 94 11351 0.0339% 330792 287561 410797 2-4 12: 334 204 256 335 255 267 336 166 211 167 285 151 0.755 17.70 0.6 81 88 51 86 375 15.5 2.683 0.008 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1086 Fructofuranose 18.0926 1791.6 3.2 scans 91% 217 m/z (292) 0.021% 1.87% 1141 0.6 861 1196483 3.17% 22698419 20050814 38413750 1-3 20: 217 73 437 147 438 218 439 219 257 191 74 129 103 133 230 75 148 319 303 189 0.999 18.13 -3.0 93 93 94 97 437 262.8 9.354 -0.041 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1084 Shikimic acid 18.1505 1795.9 3.2 scans 30% 204 m/z 0.26% 0.0433% 1147 0.8 144 99887 0.0914% 525132 525132 1107576 0-0 18: 204 255 357 206 254 462 282 447 358 256 267 373 463 283 239 167 195 359 0.928 18.20 -3.3 94 96 84 94 462 17.7 1.515 -0.047 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1082 Citric acid 18.2673 1804.6 2.8 scans 83% 273 m/z 0.075% 0.454% 1158 0.8 465 348236 0.745% 5510690 5327963 9027837 0-1 20: 273 363 347 375 274 465 275 149 211 376 364 348 466 305 221 183 257 349 377 467 0.848 18.32 -4.1 98 97 96 99 465 67.4 2.106 -0.054 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.6082 1830.6 5.7 scans 74% 217 m/z 0.30% 0.157% 1190 0.9 201 84724 0.174% 1907044 1621226 2108515 3-2 15: 217 147 319 204 219 117 74 320 133 306 192 305 317 347 435 0.959 18.67 -4.7 93 94 92 95 319 36.2 3.242 -0.061 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1076 Pregnane?? 18.8113 1846.1 4.1 scans 97% TIC 0.015% 2.86% 1209 0.9 957 1740719 34701147 33679274 1-4 1.000 18.86 -3.6 100 100 100 100 537 76.6 0.646 -0.047 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1074 Adenine 18.8891 1852.0 3.0 scans 43% 264 m/z 0.43% 0.0301% 1217 1.0 122 60640 0.0517% 365397 353276 626496 0-1 17: 264 279 265 266 192 280 84 124 278 237 85 176 111 238 180 248 123 0.982 18.94 -3.9 95 95 91 96 415 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1072 Fructose 19.0217 1862.1 >7 scans 97% 73 m/z 0.012% 8.03% 1229 0.7 1255 2167432 9.56% 97368222 96031552 115847144 1-0 20: 73 307 217 103 147 308 277 218 309 364 189 205 74 104 117 219 102 89 75 148 0.995 19.03 -0.9 100 98 99 100 364 143.0 1.303 -0.011 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN TAB_REP6-N1050 Fructose 19.0501 1864.3 >3 scans 100% 554 m/z 0.012% 3.46% 1232 1.2 1255 2159704 9.37% 41944407 41944407 113544742 0-0 20: 554 337 292 293 569 434 570 466 331 237 391 557 120 538 352 432 379 238 69 323 0.998 18.98 5.3 100 99 99 99 364 146.0 1.358 0.070 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN TAB_REP6-N1052 Fructose 19.1753 1873.9 6.7 scans 96% 73 m/z 0.013% 6.66% 1244 0.3 1232 1963093 23.7% 80819377 80819377 287194279 0-0 20: 73 103 147 308 218 309 133 219 74 189 117 89 104 191 148 365 173 202 105 201 0.995 19.10 5.5 100 99 99 99 364 147.0 1.428 0.071 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1068 Galactopyranose 19.2753 1881.5 >5 scans 78% 204 m/z 0.031% 0.995% 1253 1.0 614 843496 14.1% 12068435 12068435 170862419 0-0 18: 204 73 191 205 147 217 206 192 129 218 193 133 189 117 74 203 148 75 0.981 19.32 -3.0 95 93 93 97 435 44.8 0.536 -0.040 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1064 Mannose 19.3920 1890.4 6.5 scans 93% 319 m/z 0.010% 8.18% 1265 0.2 1359 2493840 13.5% 99216391 96832458 163591678 0-2 19: 319 73 205 147 160 320 217 103 321 206 117 133 229 157 129 189 74 148 161 0.998 19.45 -4.8 99 98 98 99 319 539.9 15.842 -0.063 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN TAB_REP6-N1059 Glucose 19.5920 1905.9 2.9 scans 95% 319 m/z (317) 0.020% 2.32% 1284 0.4 963 1263261 28187414 27227317 1-1 11: 319 205 320 160 217 103 321 206 229 157 204 0.992 19.55 3.2 98 99 99 100 376 41.9 0.190 0.040 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1062 Glucose 19.5920 1905.9 >3 scans 96% TIC 0.020% 1.91% 1284 0.9 965 1277454 4.36% 23250262 22549068 52834053 0-4 1.000 19.66 -5.2 100 99 99 99 319 386.4 16.093 -0.064 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1060 Lysine 19.6393 1909.8 3.3 scans 42% 317 m/z 1.9% 0.0238% 1288 1.4 102 13312 1.43% 289342 278694 17328600 0-2 18: 317 174 156 128 318 230 289 434 175 200 100 176 88 329 86 228 115 214 0.947 19.69 -4.3 81 76 78 95 479 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7929 1922.1 >3 scans 57% TIC 1.5% 0.0123% 1303 1.2 99 17244 0.123% 149277 149277 1490502 0-0 0.954 19.79 -0.1 93 94 85 94 333 44.9 20.597 -0.001 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN N406_R~2-N1016 Galacturonic acid 19.7929 1922.1 2.6 scans 29% 333 m/z 1.5% 0.00991% 1303 1.1 71 17262 0.0156% 120150 108467 189039 1-1 8: 333 160 334 335 364 314 274 423 0.943 19.79 0.0 100 100 100 100 423 8.2 1.359 -0.000 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.3211 1964.6 2.7 scans 99% 204 m/z 0.010% 2.39% 1353 0.6 1085 2501566 29048654 29027224 1-0 20: 204 73 191 205 147 217 206 192 129 218 189 133 74 193 103 75 203 148 117 305 1.000 20.41 -7.4 99 97 99 99 217 241.0 4.966 -0.093 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1054 Gluconic acid 3 20.4853 1977.8 2.9 scans 72% 73 m/z 0.58% 0.0524% 1368 1.3 178 45232 0.196% 635833 635833 2375109 0-0 20: 73 333 147 292 319 205 217 103 334 204 320 293 305 335 423 359 433 206 117 74 0.957 20.55 -5.1 93 92 89 95 613 4.9 0.074 -0.064 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1052 Gluconic acid 2 20.5348 1981.7 2.5 scans 87% 73 m/z 0.32% 0.0968% 1373 1.0 243 80588 0.214% 1173261 1173261 2593231 0-0 20: 73 292 147 319 205 333 217 305 293 320 103 433 359 334 277 294 321 189 74 307 0.993 20.60 -5.0 97 97 98 97 613 7.1 0.085 -0.062 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1050 Gluconic acid 20.7441 1998.6 3.0 scans 50% 292 m/z 2.7% 0.0209% 1393 0.9 101 9413 0.0321% 253530 253430 388985 1-0 13: 292 333 305 359 334 433 293 294 306 277 435 335 423 0.694 20.65 7.7 89 91 65 92 613 2.5 0.000 0.096 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1048 Galactaric acid 21.0914 2027.7 3.1 scans 60% TIC 4.0% 0.00692% 1426 1.4 63 6461 0.0226% 83917 83917 273865 0-0 0.912 21.15 -5.0 84 82 72 92 627 3.5 0.311 -0.060 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN WTF2-N1038 C16:0 21.1524 2032.8 2.8 scans 76% 313 m/z 1.7% 0.0211% 1432 1.0 103 15294 255915 255370 0-1 18: 313 117 75 132 314 129 145 55 57 131 118 201 315 116 130 69 76 83 0.960 20.62 44.5 88 94 92 96 328 10.9 1.121 0.535 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.7153 2080.1 9.5 scans 99% 432 m/z 0.012% 12.0% 1485 1.0 1365 2033892 146340129 146316924 1-0 13: 432 433 434 507 394 369 419 268 395 365 396 539 142 0.999 21.75 -2.8 100 99 99 99 507 104.3 0.586 -0.034 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN INOSIT~1-N1022 myo-Inositol 21.7153 2080.1 9.5 scans 8.1% 432 m/z (73) 0.10% 1.00% 1485 1.0 392 248093 12126298 12124375 1-0 13: 432 433 434 507 394 369 419 268 395 365 396 539 142 0.458 21.74 -2.2 82 94 62 93 507 104.5 7.116 -0.026 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1044 myo-Inositol 21.7258 2081.0 8.9 scans 37% 319 m/z (73) 0.016% 4.63% 1486 0.2 853 1639791 56186166 53364842 1-1 9: 319 320 368 293 292 207 379 294 332 0.977 21.77 -3.4 94 95 93 98 612 37.2 0.191 -0.041 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1040 myo-Inositol 21.7490 2082.9 8.4 scans 60% 73 m/z (319) 0.012% 7.34% 1489 0.2 1118 2148640 89049932 84455956 1-1 20: 73 217 305 147 191 318 306 204 265 218 133 129 74 307 103 192 148 75 219 367 0.933 21.78 -2.7 89 92 95 92 378 0.0 0.000 -0.032 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8763 2093.6 3.1 scans 91% 319 m/z 0.21% 0.206% 1501 1.2 291 120414 6.31% 2498748 2284421 76463962 4-2 20: 319 73 205 147 320 217 103 262 321 206 204 117 74 157 229 89 263 148 376 291 0.996 21.93 -4.5 97 95 97 99 656 7.1 0.059 -0.054 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1993 2121.6 2.6 scans 92% 396 m/z 0.26% 0.131% 1531 1.1 262 99186 0.140% 1590200 1579741 1696506 1-1 20: 396 219 73 397 381 398 220 191 307 249 382 293 74 75 221 308 383 399 133 192 0.997 22.19 1.1 95 92 90 100 396 107.7 16.858 0.013 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6623 2162.0 3.6 scans 88% TIC 0.50% 0.0632% 1575 2.0 147 52057 0.0802% 766975 721017 971856 1-2 0.988 22.71 -4.5 95 92 96 100 518 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN WTF2-N1036 C18:0 23.3957 2227.3 2.8 scans 80% 341 m/z 1.8% 0.0186% 1645 1.4 95 13848 0.0252% 226097 216044 305371 1-0 17: 341 117 342 75 132 145 129 57 55 343 69 201 131 118 56 297 313 0.986 22.89 45.5 89 95 90 95 356 12.9 1.833 0.507 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1024 Glycerolgalactose 24.1196 2293.5 2.7 scans 78% 204 m/z 1.1% 0.0195% 1714 1.5 94 22222 0.0460% 237125 209598 557423 2-3 12: 204 337 205 147 217 103 206 338 129 219 218 361 0.980 24.18 -5.6 92 91 89 92 581 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6488 2343.5 3.7 scans 72% 73 m/z 2.0% 0.0165% 1764 1.0 90 12727 0.0956% 200725 200725 1158471 0-0 18: 73 331 421 262 307 191 147 217 422 308 332 423 305 205 103 319 376 259 0.957 24.65 -0.1 93 93 87 93 466 6.5 0.529 -0.001 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7414 2352.3 2.8 scans 90% 73 m/z 0.47% 0.0889% 1773 1.1 213 54723 0.150% 1078481 1018795 1817685 2-0 20: 73 217 204 147 292 375 103 305 219 451 218 376 129 205 293 233 363 275 333 377 0.995 24.81 -6.1 98 97 97 97 451 26.7 1.570 -0.064 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3776 2512.9 3.0 scans 96% TIC 0.014% 2.03% 1928 0.6 927 1831889 2.08% 24677393 23184972 25205236 1-1 1.000 26.35 2.9 100 99 98 99 495 190.9 4.286 0.028 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5333 2529.0 2.8 scans 49% 512 m/z (204) 1.7% 0.0225% 1943 1.0 104 15375 273583 273340 1-0 19: 512 455 513 247 456 514 483 57 248 349 457 263 423 484 424 409 179 235 249 0.947 26.57 -4.1 93 95 79 95 512 42.4 16.533 -0.040 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN WTF2-N1032 Sucrose 26.6491 2540.9 2.7 scans 43% TIC 11% 0.00202% 1954 1.1 40 2326 24534 24534 0-0 0.851 26.87 -22.8 80 84 66 84 451 4.7 1.369 -0.221 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1020 Sucrose 27.4098 2620.2 15.1 scans 10% 437 m/z (217) 0.046% 1.54% 2026 2.6 409 568789 18667367 18476676 1-0 9: 437 451 438 452 450 322 467 421 224 0.331 27.46 -5.4 95 98 96 99 437 257.8 39.854 -0.051 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1010 Sucrose 27.4098 2620.2 15.1 scans 100% 437 m/z 0.0079% 14.9% 2026 2.6 1303 3283808 180954361 179105877 1-0 9: 437 451 438 452 450 322 467 421 224 0.997 27.58 -18.0 100 99 98 99 437 256.1 3.889 -0.169 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1008 Sucrose 27.4172 2620.9 14.5 scans 99% 361 m/z 0.0081% 15.6% 2027 2.2 1302 3228437 190036623 185838602 1-1 20: 361 362 363 319 331 320 259 332 291 201 306 156 346 294 366 316 175 222 163 158 0.997 27.59 -18.6 100 99 97 99 437 244.8 3.560 -0.174 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1018 Sucrose 27.4287 2622.2 14.3 scans 59% 271 m/z (217) 0.0079% 9.00% 2028 1.4 1007 3283808 9.84% 109096779 106968738 119240156 1-0 15: 271 243 149 231 257 157 345 215 247 227 303 193 207 119 88 0.944 27.47 -4.3 91 93 65 92 437 257.0 6.557 -0.041 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1016 Sucrose 27.4287 2622.2 14.3 scans 49% 271 m/z (361) 0.018% 7.49% 2028 1.4 919 1405327 8.20% 90871298 89098763 99366797 1-0 15: 271 243 149 231 257 157 345 215 247 227 303 193 207 119 88 0.970 27.48 -5.1 87 88 93 94 437 15.8 0.000 -0.048 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1014 Sucrose 27.4340 2622.7 14.3 scans 73% 217 m/z (73) 0.0080% 11.0% 2029 1.2 1114 3245976 12.1% 134374611 131840533 146626615 1-0 11: 217 147 218 191 245 221 170 269 153 206 381 0.984 27.49 -6.0 94 95 78 95 437 250.8 5.095 -0.056 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN TAB_REP6-N1070 Sucrose 27.5150 2631.4 >2 scans 79% 73 m/z 0.014% 1.85% 2037 2.4 1082 1814469 11.8% 22507334 21638660 142991244 0-1 20: 73 217 147 103 129 169 271 74 218 243 75 191 319 117 133 148 230 219 131 272 0.993 27.41 11.3 89 85 64 98 451 11.9 0.000 0.105 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN LQC1-N1006 Trehalose 28.4010 2727.3 2.8 scans 74% 361 m/z 0.84% 0.0258% 2121 0.8 116 30918 0.0501% 313393 313393 607107 0-0 14: 361 362 363 191 217 271 331 243 169 129 364 291 272 229 0.981 28.47 -7.6 97 96 91 97 565 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN GUA35_L1-N1020 Galactinol 30.1529 2925.8 3.2 scans 76% 204 m/z 1.6% 0.0143% 2287 1.7 81 15709 0.0522% 173571 172506 632554 0-1 11: 204 205 191 217 147 361 433 305 206 218 343 0.975 30.55 -46.6 85 91 90 92 641 6.8 0.703 -0.392 G:\GCMS data\Nicotiana Panel polar\N406_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6396 3102.3 4.2 scans 73% 204 m/z 2.7% 0.0135% 2429 1.6 65 9562 0.0535% 163970 156446 648308 2-2 11: 204 205 597 337 217 103 598 206 361 129 599 0.964 31.68 -4.3 92 92 85 92 597 12.8 3.897 -0.035 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN EXBLK5S-N1006 Contamination 6.5994 1061.8 2.8 scans 64% 207 m/z 1.3% 0.0228% 49 1.5 86 19895 0.0677% 221208 164475 655750 8-5 11: 207 73 295 208 209 296 191 297 279 193 133 0.982 6.63 -1.5 97 97 91 97 295 26.4 9.356 -0.026 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.7919 1073.2 >7 scans 36% 147 m/z 4.3% 0.00780% 67 0.6 50 6144 0.0416% 75641 75641 402942 0-0 4: 147 117 73 191 0.861 6.82 -1.7 89 86 91 99 295 2.4 0.000 -0.029 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1194 Alanine 7.4085 1109.8 8.4 scans 80% TIC 0.76% 0.0610% 126 0.4 103 34895 0.140% 591052 591052 1356056 0-0 0.993 7.40 0.3 97 96 96 97 283 0.0 0.000 0.005 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN A-KETO~2-N1006 Contamination?? 7.9009 1138.9 2.8 scans 73% 156 m/z 2.3% 0.0126% 172 1.2 71 11480 0.0158% 122661 115168 153041 1-2 7: 156 75 55 157 61 54 76 0.980 7.96 -3.3 97 97 95 98 156 37.9 28.590 -0.056 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1192 Contamination 7.9830 1143.8 2.8 scans 80% 147 m/z 1.9% 0.0198% 180 1.2 93 14059 0.0322% 192724 173919 311893 3-0 18: 147 73 133 220 235 59 146 86 72 103 148 89 160 134 100 149 74 70 0.988 7.99 -0.4 99 99 97 99 235 17.9 3.693 -0.006 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1188 Contamination 8.3776 1167.2 4.9 scans 81% TIC 2.0% 0.0238% 218 1.7 81 13059 0.0251% 231126 230520 243121 4-1 0.973 8.41 -2.2 98 98 83 99 369 23.0 8.068 -0.037 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1186 Phosphate 8.5407 1176.9 2.6 scans 87% TIC 0.35% 0.0628% 233 1.0 157 75099 609137 508045 4-8 0.989 8.56 -1.1 100 99 98 100 299 0.0 0.000 -0.020 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1184 Valine 9.1657 1213.7 3.7 scans 69% 144 m/z (156) 2.8% 0.00927% 293 0.7 53 9492 0.0170% 89872 82935 164664 6-3 5: 144 73 218 145 219 0.950 9.19 -1.3 93 95 88 96 218 16.0 9.025 -0.022 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1180 Benzoic acid 9.7328 1246.9 3.1 scans 58% 179 m/z 4.5% 0.00770% 346 1.3 51 5955 74584 72099 1-2 7: 179 105 135 77 180 194 136 0.896 9.76 -1.6 94 94 87 97 194 7.8 2.356 -0.026 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1178 Ethanolamine 9.9959 1262.3 3.9 scans 87% TIC 0.82% 0.0321% 372 1.0 105 32544 2.81% 311768 311768 27217972 0-0 0.992 10.03 -2.2 99 98 97 99 262 11.5 1.210 -0.038 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN VEN77_S6-N1002 Glycerol 10.1011 1268.5 3.5 scans 96% 299 m/z 0.0086% 3.00% 382 0.4 998 3101238 29085646 28112864 1-1 20: 299 300 314 73 301 283 133 315 211 147 207 193 191 316 302 225 298 135 284 103 0.999 10.09 0.5 99 98 95 99 299 622.8 39.198 0.007 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2421 1276.7 2.4 scans 92% 73 m/z 0.55% 0.0361% 395 1.1 134 47931 350019 344916 0-1 19: 73 198 77 211 199 70 74 239 289 381 212 72 200 170 63 92 142 56 261 0.998 10.24 0.1 99 98 98 98 381 14.7 1.204 0.002 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN TAB_REP6-N1012 Proline 10.5230 1293.2 2.9 scans 96% TIC 0.023% 0.844% 422 0.6 549 1151461 2.65% 8175286 7439672 25668194 3-0 0.997 10.53 -0.6 100 98 98 100 216 103.0 3.539 -0.010 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN TAB_REP6-N1014 Maleic acid 10.5956 1297.4 2.9 scans 94% 147 m/z 0.095% 0.236% 429 0.9 311 281909 1.74% 2295515 2295515 16853833 0-0 20: 147 73 245 148 75 149 83 133 74 246 115 170 143 59 126 84 66 54 215 247 0.997 10.60 -0.4 99 98 98 99 245 73.3 5.567 -0.006 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1170 Glycine 10.6503 1300.6 3.5 scans 60% TIC 1.1% 0.0105% 434 1.0 91 23401 1.71% 102478 102478 16563250 0-0 0.955 10.69 -2.2 97 97 88 97 276 14.5 2.545 -0.037 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7482 1306.5 3.3 scans 95% TIC 0.018% 1.48% 443 0.8 703 1485031 14426706 14161544 1-1 0.979 10.76 -0.6 99 98 98 99 251 170.1 5.872 -0.010 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1168 Glyceric acid 11.0154 1322.6 2.7 scans 97% TIC 0.12% 0.342% 468 0.9 372 217694 3314281 3115099 1-4 0.999 11.05 -2.3 100 99 99 100 292 113.1 9.271 -0.039 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0722 1326.0 >2 scans 56% TIC 8.8% 0.00321% 474 2.1 43 3036 0.203% 31156 31156 1966281 0-0 0.881 11.06 0.5 92 94 72 94 285 13.5 9.938 0.009 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN TAB_REP6-N1018 Uracil 11.1343 1329.8 2.8 scans 58% 241 m/z 7.1% 0.00450% 480 1.3 43 3740 43592 41986 1-1 6: 241 255 256 99 242 113 0.885 11.15 -0.8 97 96 95 99 256 14.6 11.742 -0.014 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1164 Itaconic acid 11.2122 1334.4 2.6 scans 84% 147 m/z 1.5% 0.0164% 487 1.1 85 17252 0.0173% 159727 148184 167570 3-2 9: 147 73 259 148 215 149 97 133 67 0.986 11.25 -2.5 88 84 89 93 259 16.8 3.892 -0.040 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1162 Fumaric acid 11.3574 1343.2 2.5 scans 95% 245 m/z 0.13% 0.167% 501 1.0 281 195578 1627217 1502591 2-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 84 74 53 155 61 59 157 58 0.999 11.39 -2.1 100 99 99 99 245 156.4 31.043 -0.036 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4531 1349.0 3.0 scans 82% 57 m/z 1.3% 0.0216% 510 1.2 92 20594 0.0296% 209226 206099 286709 1-0 15: 57 97 145 115 127 55 56 69 129 59 111 109 71 83 98 0.990 11.45 0.5 92 89 95 97 145 26.9 8.639 0.007 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1160 Serine 11.5079 1352.2 2.6 scans 96% 204 m/z 0.11% 0.278% 515 1.0 353 225361 2697361 2627700 1-1 20: 204 73 218 205 147 100 219 278 188 206 75 133 74 220 306 116 59 189 132 117 0.999 11.56 -3.0 100 99 99 100 306 37.1 1.104 -0.049 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN BRA4_R~2-N1008 Thymine 11.5910 1357.3 2.9 scans 37% 255 m/z 9.5% 0.00169% 523 1.2 26 2808 16450 16450 0-0 3: 255 270 256 0.668 11.58 0.5 93 95 72 98 270 10.0 14.589 0.007 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7320 1365.7 3.0 scans 88% 147 m/z 1.0% 0.0373% 537 0.8 118 25548 0.0496% 362172 362172 480431 0-0 20: 147 73 247 101 148 103 75 217 116 59 131 262 87 102 66 149 219 74 130 133 0.998 11.79 -3.2 87 82 92 97 262 13.4 1.299 -0.053 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN TAB_REP6-N1024 Threonine 11.9151 1376.8 2.5 scans 95% 73 m/z 0.24% 0.157% 554 1.0 274 111791 1530135 1441654 1-1 20: 73 218 219 117 291 292 147 101 220 57 100 74 75 293 203 133 128 221 132 320 0.998 11.92 -0.3 100 99 99 100 320 26.0 0.905 -0.006 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN N406_R~1-N1016 b-Alanine 12.6032 1419.0 2.7 scans 48% 248 m/z 7.2% 0.00537% 619 1.1 48 3714 52086 52086 0-0 8: 248 174 290 249 175 100 86 250 0.690 12.60 0.0 92 93 64 98 304 4.2 0.781 0.001 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1148 Glutamine?? 13.2998 1462.9 2.8 scans 94% TIC 0.13% 0.195% 686 0.8 276 203485 1889886 1810801 2-1 0.994 13.35 -3.0 99 98 99 99 257 21.8 0.624 -0.047 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1146 Malic acid 13.5418 1478.1 2.7 scans 97% 73 m/z 0.041% 0.888% 709 0.6 606 653476 8604340 8125983 1-1 20: 73 147 233 245 133 189 190 335 148 75 175 191 149 74 234 55 101 265 217 307 1.000 13.62 -4.7 100 99 99 99 350 16.5 0.074 -0.075 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1144 Contamination Parabanica acid 13.7480 1491.1 2.7 scans 91% 115 m/z 0.64% 0.0766% 728 1.1 180 41515 0.111% 742390 701284 1075158 3-1 19: 115 243 100 128 73 116 244 201 158 59 101 142 245 72 131 70 102 74 129 0.994 13.81 -3.7 100 99 98 99 243 69.9 15.090 -0.058 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0247 1509.0 2.6 scans 42% 232 m/z (73) 0.098% 0.192% 754 0.9 286 273410 1867859 1856069 0-1 20: 232 233 218 100 234 202 188 306 216 219 117 334 292 130 204 220 101 203 189 235 0.977 14.02 0.5 92 92 88 97 258 6.8 0.000 0.008 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0321 1509.5 4.4 scans 81% 73 m/z (232) 0.051% 0.715% 755 1.5 442 516736 6931340 6803443 1-0 11: 73 75 74 133 149 131 70 98 76 77 151 0.978 14.11 -5.2 97 98 97 99 273 19.0 0.185 -0.078 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1140 Aspartic acid 14.0321 1509.5 4.4 scans 68% 73 m/z (156) 0.085% 0.602% 755 1.5 405 314205 5837480 5729767 1-0 11: 73 75 74 133 149 131 70 98 76 77 151 0.971 14.09 -3.6 98 99 99 99 349 20.7 0.261 -0.055 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN TAB_REP6-N1032 GABA 14.1867 1519.7 2.9 scans 90% TIC 0.23% 0.134% 770 1.3 235 112557 0.239% 1303095 1302393 2314981 0-1 0.991 14.19 -0.1 99 98 97 98 304 71.3 9.206 -0.001 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3635 1531.5 3.1 scans 84% TIC 0.79% 0.0699% 787 0.7 138 33798 0.240% 677818 561993 2324667 5-4 0.987 14.62 -17.1 96 95 94 97 409 9.7 0.496 -0.257 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6434 1550.0 3.3 scans 98% 292 m/z 0.017% 3.17% 813 0.4 1047 1492034 30793355 30487029 1-0 20: 292 73 147 220 205 293 217 117 294 103 221 148 133 291 74 149 206 245 75 102 1.000 14.69 -3.2 100 100 100 100 409 87.3 0.697 -0.049 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1126 Pyrazine 15.0748 1578.6 2.7 scans 89% TIC 0.41% 0.114% 854 1.2 224 64414 1110364 1106791 0-1 0.956 15.13 -3.8 99 98 98 99 344 69.0 9.502 -0.057 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3842 1599.1 2.7 scans 70% TIC 1.5% 0.0133% 884 1.9 81 17307 0.147% 129304 129304 1423858 0-0 0.959 15.44 -3.9 89 88 87 93 393 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1120 Glutamic acid 15.5062 1607.6 2.5 scans 85% 246 m/z 0.87% 0.0280% 895 1.1 117 30676 272160 266725 0-1 16: 246 73 247 128 147 348 248 156 230 149 84 349 100 56 129 114 0.980 15.56 -3.7 98 98 94 98 363 12.6 1.159 -0.054 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN TAB_REP6-N1042 Ribose 16.1038 1649.1 3.6 scans 66% TIC 1.9% 0.0147% 952 0.6 89 13714 0.333% 143244 143244 3225475 0-0 0.963 16.10 0.1 95 96 93 98 307 26.2 8.729 0.001 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN EXBLK1-N1004 Contamination triHydroxy-Benzene 16.1586 1652.9 2.9 scans 62% TIC 2.2% 0.0105% 957 1.6 81 11723 0.315% 102438 102438 3051125 0-0 0.932 15.90 18.1 82 76 63 95 342 38.3 22.165 0.261 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1108 Ribose 16.3217 1664.2 2.9 scans 87% TIC 0.36% 0.119% 973 0.6 213 72693 0.146% 1162222 1111981 1414172 1-0 0.977 16.38 -3.7 96 94 95 98 467 5.2 0.058 -0.053 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0014 1712.0 3.1 scans 40% 217 m/z 3.9% 0.0130% 1037 1.6 74 6844 0.128% 126352 126352 1239822 0-0 13: 217 205 319 307 103 218 189 129 204 320 277 321 219 0.718 17.06 -4.5 91 93 57 92 510 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN TAB_REP6-N1044 Putrescine 17.1982 1726.4 2.6 scans 83% 174 m/z 0.048% 0.374% 1056 1.0 410 557310 3624925 3370334 1-1 19: 174 175 214 176 86 172 200 59 361 130 100 146 215 142 173 362 376 99 126 0.997 17.19 0.8 98 97 97 99 376 32.0 0.610 0.010 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3833 1739.9 3.0 scans 65% 292 m/z 1.0% 0.0456% 1074 1.2 133 25937 0.280% 442535 440791 2712111 2-0 17: 292 333 103 307 217 334 293 294 277 308 319 218 221 511 309 393 104 0.974 17.44 -4.4 98 97 97 98 511 9.2 0.481 -0.060 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5748 1753.9 2.9 scans 91% TIC 0.11% 0.236% 1092 0.8 311 230529 0.484% 2287330 2096509 4688078 0-1 0.998 17.63 -4.1 97 96 97 97 450 49.0 2.485 -0.057 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1088 Glutamine?? 17.6559 1759.8 3.5 scans 84% TIC 0.26% 0.265% 1100 2.3 270 100543 0.822% 2568225 2503841 7961983 0-1 0.949 17.73 -5.1 94 92 94 96 511 7.0 0.067 -0.070 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1086 Fructofuranose 18.0904 1791.5 2.9 scans 97% 217 m/z 0.017% 2.47% 1141 0.7 996 1505369 4.41% 23947830 23834293 42715749 0-1 20: 217 73 437 147 218 438 219 439 257 191 74 129 103 230 133 75 189 205 148 319 1.000 18.13 -3.1 94 91 93 96 437 303.8 9.340 -0.044 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1084 Shikimic acid 18.1441 1795.4 3.2 scans 27% 204 m/z 0.43% 0.0312% 1146 0.8 117 61052 0.106% 302395 302395 1026728 0-0 17: 204 357 255 254 206 462 358 282 447 356 167 239 463 181 256 355 359 0.949 18.20 -3.8 91 92 82 92 462 14.6 1.538 -0.053 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1082 Citric acid 18.2598 1804.0 2.6 scans 13% 273 m/z (191 370) 0.40% 0.0643% 1157 1.0 169 66560 0.115% 623197 590308 1113903 1-1 18: 273 347 363 375 274 465 275 364 211 466 376 348 183 349 365 377 467 67 0.791 18.32 -4.7 83 91 46 90 465 36.5 4.640 -0.061 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5934 1829.5 4.7 scans 79% 217 m/z (247) 0.24% 0.215% 1189 1.1 235 110319 2085096 2079536 1-0 20: 217 73 147 191 218 319 219 204 192 305 320 205 103 332 190 148 306 149 347 193 0.991 18.67 -5.8 93 94 93 96 319 44.2 3.543 -0.076 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1076 Pregnane?? 18.8017 1845.4 3.4 scans 96% 345 m/z 0.021% 2.11% 1209 0.8 832 1224274 20438815 19839426 1-1 20: 345 73 346 255 147 347 204 334 191 256 435 419 372 133 148 257 239 74 348 537 1.000 18.86 -4.3 100 100 100 100 537 65.4 0.622 -0.056 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1074 Adenine 18.8838 1851.6 3.0 scans 44% 264 m/z 0.48% 0.0407% 1216 1.1 127 55440 0.227% 394407 377033 2198747 1-0 17: 264 279 265 266 280 192 85 281 278 111 99 237 164 123 70 180 267 0.912 18.94 -4.3 96 95 89 97 415 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1072 Fructose 19.0090 1861.2 7.0 scans 95% 307 m/z 0.014% 6.14% 1228 0.4 1218 1871246 8.31% 59569548 57390606 80491582 1-0 20: 307 73 217 103 147 308 277 218 309 364 205 189 74 133 219 104 117 191 278 172 1.000 19.03 -1.8 99 98 99 99 364 144.8 1.418 -0.024 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN TAB_REP6-N1050 Fructose 19.0163 1861.7 7.2 scans 99% 148 m/z 0.014% 8.59% 1229 0.5 1224 1833428 83236570 81953739 1-0 20: 148 334 276 260 554 118 318 302 232 311 464 555 159 222 402 240 274 394 76 178 0.999 18.98 2.7 100 99 99 100 364 144.1 1.390 0.036 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1070 Fructose 19.1510 1872.0 5.5 scans 90% 73 m/z (306) 0.013% 6.42% 1242 0.4 1196 1919514 20.9% 62223179 58135180 202439720 2-0 20: 73 307 217 103 147 308 218 277 309 364 205 74 262 133 219 117 189 89 104 148 0.997 19.19 -3.3 94 95 97 96 554 53.0 0.197 -0.043 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN TAB_REP6-N1052 Fructose 19.1510 1872.0 5.5 scans 93% 73 m/z 0.015% 6.35% 1242 0.4 1220 1775924 20.6% 61545254 57501794 199533886 2-0 20: 73 307 217 103 147 308 218 277 309 364 205 74 262 133 219 117 189 89 104 148 0.999 19.10 3.6 100 99 99 99 364 145.1 1.421 0.047 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1068 Galactopyranose 19.2647 1880.7 3.9 scans 82% 204 m/z 0.021% 1.45% 1253 0.9 742 1220922 9.16% 14056613 14056613 88724777 0-0 20: 204 191 73 147 205 217 206 192 129 218 189 193 117 133 203 74 148 435 75 305 0.998 19.32 -3.8 98 97 96 99 435 57.5 0.604 -0.050 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1064 Mannose 19.3604 1888.0 5.1 scans 94% TIC 0.011% 7.61% 1262 0.3 1347 2351033 16.3% 73785341 70188866 157883609 0-4 0.995 19.45 -7.2 99 98 97 99 319 542.3 16.283 -0.095 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5298 1900.9 2.8 scans 47% 174 m/z (305 319) 0.027% 0.820% 1278 0.8 552 976262 0.841% 7945523 7166425 8146019 1-0 17: 174 175 338 86 176 339 100 59 179 340 363 264 130 250 162 172 87 0.932 19.49 3.1 90 94 92 96 338 122.2 4.919 0.040 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1062 Glucose 19.5729 1904.4 6.0 scans 96% TIC 0.026% 1.79% 1282 0.9 886 1002676 3.31% 17402338 17402338 32061027 0-0 0.997 19.66 -6.7 99 98 98 99 319 344.1 15.126 -0.083 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1060 Lysine 19.6266 1908.7 3.0 scans 37% 174 m/z 2.1% 0.0204% 1287 1.0 88 12213 0.599% 197679 193387 5801980 0-1 18: 174 317 156 318 128 230 434 86 175 100 200 154 176 88 329 228 146 114 0.953 19.69 -5.4 89 88 83 93 479 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN N406_R~2-N1016 Galacturonic acid 19.7866 1921.6 2.6 scans 25% 333 m/z 2.6% 0.00661% 1302 1.1 55 10020 0.0112% 64114 61035 108484 1-0 5: 333 160 334 335 364 0.869 19.79 -0.5 94 96 92 96 423 8.0 2.134 -0.006 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7908 1921.9 >2 scans 49% TIC 2.4% 0.00735% 1302 1.0 77 10779 0.0989% 71283 68091 957956 1-0 0.904 19.79 -0.3 87 89 76 88 333 36.2 21.949 -0.003 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.3200 1964.5 2.6 scans 98% 204 m/z 0.0093% 3.42% 1353 0.6 1195 2881039 33182217 32286924 1-1 20: 204 191 73 217 205 147 192 206 218 129 189 133 74 193 203 103 75 117 305 148 0.998 20.41 -7.5 99 98 99 99 217 266.8 5.014 -0.094 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1054 Gluconic acid 3 20.4831 1977.6 2.8 scans 70% 73 m/z 0.76% 0.0394% 1368 1.2 160 34943 0.178% 382296 382296 1724128 0-0 20: 73 333 147 292 319 205 214 217 204 334 346 103 335 305 320 293 117 359 189 423 0.978 20.55 -5.3 92 91 91 94 613 3.0 0.034 -0.066 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1052 Gluconic acid 2 20.5315 1981.5 2.7 scans 76% 73 m/z 0.85% 0.0410% 1373 1.1 154 31521 0.256% 397905 397905 2479644 0-0 20: 73 292 319 147 217 333 205 305 293 103 320 433 447 294 331 359 435 334 277 117 0.979 20.60 -5.2 94 94 93 94 613 4.6 0.091 -0.066 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN WTF2-N1038 C16:0 21.1481 2032.4 2.9 scans 77% 313 m/z 2.1% 0.0239% 1431 1.1 96 12514 231786 224561 0-9 16: 313 117 75 132 314 129 145 55 328 57 131 201 118 285 56 116 0.955 20.62 44.1 87 93 90 95 328 11.1 1.327 0.531 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.7047 2079.2 10.0 scans 100% 507 m/z 0.013% 15.0% 1484 1.3 1389 2007902 145401380 144594292 1-0 8: 507 434 508 435 344 378 522 296 0.997 21.75 -3.7 100 99 99 99 507 106.1 0.585 -0.044 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1044 myo-Inositol 21.7394 2082.1 9.3 scans 40% 305 m/z (73) 0.013% 6.47% 1488 0.2 919 1969208 62686863 61566347 1-1 16: 305 291 343 435 509 345 309 436 268 380 329 391 346 246 121 120 0.884 21.77 -2.3 93 93 92 98 612 36.2 0.156 -0.028 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1040 myo-Inositol 21.7499 2083.0 8.5 scans 56% 73 m/z (318) 0.012% 8.16% 1489 0.2 1099 2135130 79121553 77795012 1-1 20: 73 217 147 191 204 265 218 133 129 74 148 103 192 75 219 221 131 149 266 205 0.911 21.78 -2.6 88 92 94 92 378 0.0 0.000 -0.031 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8720 2093.3 3.2 scans 89% TIC 0.38% 0.156% 1500 1.3 227 69101 14.0% 1517413 1371188 135605554 0-2 0.996 21.93 -4.8 98 96 98 99 656 5.0 0.048 -0.058 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2003 2121.7 2.7 scans 94% 396 m/z 0.16% 0.274% 1531 1.0 341 162978 0.318% 2661017 2661017 3080183 0-0 20: 396 219 73 397 381 398 319 220 191 307 382 249 205 147 293 75 74 399 320 383 0.999 22.19 1.2 96 93 91 100 396 142.8 17.547 0.014 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6612 2161.9 3.3 scans 91% 204 m/z 0.45% 0.0758% 1575 2.0 160 59400 0.0919% 734718 711280 890154 1-2 19: 204 73 205 147 217 249 206 117 131 218 129 191 103 74 250 219 133 203 149 0.989 22.71 -4.6 96 93 96 100 518 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN WTF2-N1036 C18:0 23.3956 2227.3 2.9 scans 78% 341 m/z 2.6% 0.0207% 1645 1.7 85 10148 0.0248% 201092 181359 240216 1-4 13: 341 117 132 342 129 145 55 356 57 343 69 118 201 0.962 22.89 45.5 87 93 87 94 356 12.0 1.970 0.507 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1205 2293.6 2.5 scans 71% 204 m/z 2.7% 0.00685% 1714 1.1 61 9602 0.0106% 66433 66433 102673 0-0 7: 204 73 337 205 147 217 103 0.931 24.01 10.1 88 87 83 91 490 0.0 0.000 0.111 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6477 2343.4 3.6 scans 75% 73 m/z 2.3% 0.0194% 1764 1.1 92 11640 0.0930% 188547 188547 900808 0-0 20: 73 331 262 147 421 191 307 217 205 422 319 305 332 308 333 103 259 74 192 218 0.971 24.65 -0.2 93 93 88 93 466 6.2 0.449 -0.002 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7403 2352.2 2.7 scans 89% TIC 0.73% 0.0698% 1773 1.0 180 36535 0.146% 676932 672864 1414172 1-0 0.993 24.81 -6.2 97 96 96 96 451 22.7 1.594 -0.065 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3554 2510.6 2.7 scans 93% 204 m/z 0.072% 0.476% 1926 1.1 437 368450 0.591% 4617083 4179144 5724492 3-0 20: 204 73 205 147 495 217 206 496 117 363 129 273 130 131 191 74 497 103 75 231 0.997 26.35 0.6 99 98 98 99 495 84.2 3.726 0.005 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5322 2528.8 2.7 scans 65% 512 m/z 1.9% 0.0262% 1943 1.0 106 13926 254048 238418 2-1 20: 512 455 513 247 456 57 514 483 457 248 484 263 497 423 515 207 409 383 203 234 0.983 26.57 -4.3 96 96 84 96 512 41.7 15.479 -0.041 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN WTF2-N1032 Sucrose 26.6469 2540.7 2.7 scans 59% 361 m/z 9.1% 0.00518% 1954 1.1 50 2918 50259 45588 0-2 5: 361 273 437 217 438 0.941 26.87 -23.0 82 83 74 85 451 6.3 1.632 -0.223 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1020 Sucrose 27.4087 2620.0 12.6 scans 10% 362 m/z (361) 0.047% 1.75% 2026 2.0 430 564500 16977188 16889300 1-0 15: 362 437 451 438 439 453 440 245 347 134 454 175 289 249 348 0.769 27.46 -5.6 92 93 91 97 437 265.7 38.214 -0.052 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1018 Sucrose 27.4160 2620.8 12.5 scans 51% 361 m/z (73) 0.0082% 8.92% 2027 1.6 967 3252876 86407504 85917297 1-0 16: 361 363 364 321 332 241 221 293 222 435 292 346 258 294 265 275 0.872 27.47 -5.7 92 95 59 93 437 265.7 7.604 -0.054 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN TAB_REP6-N1070 Sucrose 27.4160 2620.8 12.5 scans 88% 361 m/z (362) 0.0083% 15.2% 2027 1.6 1263 3195257 147376284 146540189 1-0 16: 361 363 364 321 332 241 221 293 222 435 292 346 258 294 265 275 0.994 27.41 0.7 90 89 75 99 451 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1010 Sucrose 27.4160 2620.8 12.5 scans 99% 361 m/z 0.0082% 17.1% 2027 1.6 1345 3248459 166161518 165218850 1-0 16: 361 363 364 321 332 241 221 293 222 435 292 346 258 294 265 275 0.997 27.58 -17.4 100 99 98 99 437 258.7 3.720 -0.163 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1014 Sucrose 27.4213 2621.4 12.6 scans 91% TIC 0.0084% 15.2% 2028 1.4 1290 3194372 16.6% 147395597 143090673 160789442 1-0 0.999 27.49 -7.3 100 100 99 100 437 260.7 4.113 -0.069 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1008 Sucrose 27.4623 2625.8 >4 scans 99% 362 m/z 0.0097% 6.63% 2032 4.9 1290 2757936 18.6% 64220191 64220191 180161664 0-0 2: 362 439 1.000 27.59 -13.7 100 99 97 99 437 225.6 3.074 -0.129 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1016 Sucrose 27.4939 2629.1 12.4 scans 50% 73 m/z (450) 0.014% 1.47% 2035 1.7 916 1825198 8.27% 14311177 14152706 80104138 0-1 20: 73 217 147 103 271 129 169 218 243 191 319 74 75 189 205 272 230 133 117 219 0.842 27.48 1.8 86 90 92 92 437 94.5 0.000 0.017 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN LQC1-N1006 Trehalose 28.3904 2726.1 2.8 scans 75% 361 m/z 1.5% 0.0174% 2120 1.0 92 17654 0.0396% 169094 169094 383570 0-0 13: 361 362 191 363 217 147 103 169 129 331 192 364 218 0.989 28.47 -8.8 95 94 88 96 565 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel polar\N406_REP3.FIN GUA35_L1-N1020 Galactinol 30.1549 2926.0 3.2 scans 88% 204 m/z 1.2% 0.0286% 2287 1.4 99 21271 0.0644% 277117 246665 623786 0-5 16: 204 73 205 217 191 147 206 433 129 218 230 103 148 434 319 362 0.996 30.55 -46.4 88 94 94 95 641 7.2 0.527 -0.390 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN EXBLK5S-N1006 Contamination 6.6215 1063.1 2.8 scans 64% 207 m/z 0.91% 0.0358% 51 1.2 101 26212 0.122% 224218 208785 763044 4-2 13: 207 295 208 209 191 296 297 279 193 177 192 189 247 0.953 6.63 -0.2 99 98 94 98 295 30.4 9.091 -0.004 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8498 1076.6 >9 scans 51% 147 m/z 2.9% 0.0340% 73 0.3 64 8233 0.103% 213136 211335 644210 0-2 5: 147 73 117 191 190 0.943 6.82 1.7 88 84 86 98 295 2.5 0.000 0.029 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1194 Alanine 7.4496 1112.2 10.4 scans 62% 116 m/z 1.0% 0.0781% 130 0.3 84 21836 0.133% 488483 487283 831843 0-2 6: 116 190 117 147 85 146 0.938 7.40 2.7 95 95 90 95 283 0.0 0.000 0.046 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9388 1141.2 2.6 scans 72% 156 m/z 2.4% 0.0150% 176 1.2 68 9652 0.0295% 93875 91711 184507 3-1 5: 156 55 157 54 158 0.987 7.96 -1.0 97 96 94 98 156 35.7 27.544 -0.018 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1192 Contamination 8.0209 1146.1 2.9 scans 61% 147 m/z 3.2% 0.0132% 184 1.5 62 7306 0.0302% 83087 78721 188885 2-2 15: 147 73 235 133 152 220 146 100 59 148 167 72 86 160 89 0.910 7.99 1.9 91 92 86 94 235 12.3 3.904 0.032 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1188 Contamination 8.3871 1167.8 4.8 scans 70% 281 m/z 4.2% 0.0160% 219 1.6 54 5640 0.0217% 100653 99649 135722 2-1 7: 281 369 147 282 283 265 370 0.980 8.41 -1.6 97 97 78 98 369 15.6 8.397 -0.028 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1190 Contamination 8.5239 1175.9 >4 scans 54% 73 m/z 4.8% 0.00844% 232 1.3 46 4959 0.0226% 52814 52814 141351 0-0 7: 73 140 211 198 77 126 186 0.952 8.48 2.4 88 88 81 89 309 4.5 0.970 0.040 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1186 Phosphate 8.5691 1178.5 2.3 scans 74% 241 m/z (82) 0.83% 0.0288% 236 1.0 99 28497 0.0293% 180743 177745 183256 0-1 17: 241 242 211 133 163 243 256 195 135 137 98 107 212 121 164 119 169 0.986 8.56 0.5 96 97 94 99 299 0.0 0.000 0.008 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1184 Valine 9.1868 1215.0 4.0 scans 88% TIC 0.62% 0.0617% 295 0.8 115 38383 0.0924% 386126 385090 577912 2-0 0.993 9.19 -0.0 99 98 96 98 218 33.9 8.597 -0.001 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1180 Benzoic acid 9.7528 1248.1 3.0 scans 62% 179 m/z 3.6% 0.0128% 348 0.9 55 6552 80312 72168 2-1 8: 179 135 105 77 180 194 136 202 0.918 9.76 -0.4 92 90 89 97 194 8.7 2.494 -0.006 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1178 Ethanolamine 10.0043 1262.8 4.3 scans 84% TIC 1.1% 0.0430% 372 0.9 89 21489 3.66% 269288 242708 22891331 3-0 0.982 10.03 -1.7 97 96 95 98 262 9.3 1.099 -0.030 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN VEN77_S6-N1002 Glycerol 10.1116 1269.1 3.4 scans 97% 299 m/z 0.0089% 4.02% 383 0.5 960 2675122 25148360 24950536 0-1 20: 299 300 314 73 301 133 283 211 315 207 193 147 191 316 302 135 225 298 74 284 0.999 10.09 1.1 100 98 95 99 299 593.9 38.484 0.018 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2526 1277.3 2.5 scans 88% 73 m/z 0.71% 0.0384% 396 1.0 113 33369 240625 240349 1-0 19: 73 198 77 211 199 70 381 239 74 212 289 72 63 200 92 142 143 170 56 0.986 10.24 0.7 97 96 96 97 381 13.0 1.334 0.013 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1003 Isoleucine 10.4473 1288.7 >4 scans 85% TIC 0.47% 0.0767% 414 1.3 135 50230 1.58% 480333 480333 9882050 0-0 0.997 10.45 0.1 99 98 97 99 232 20.1 2.231 0.002 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1012 Proline 10.5367 1294.0 2.9 scans 96% TIC 0.017% 1.37% 423 0.5 613 1338674 1.68% 8628287 8628287 10507496 0-0 0.997 10.53 0.2 99 98 98 100 216 113.1 3.423 0.004 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1014 Maleic acid 10.6009 1297.7 2.9 scans 89% TIC 0.18% 0.159% 429 0.9 221 128427 3.73% 1000027 1000027 23329144 0-0 0.969 10.60 -0.1 99 99 99 99 245 49.5 5.002 -0.001 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1170 Glycine 10.6619 1301.3 3.6 scans 68% TIC 0.96% 0.0221% 435 1.5 97 24820 2.87% 138671 138671 17950306 0-0 0.983 10.69 -1.5 92 91 87 92 276 14.4 2.212 -0.025 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7577 1307.1 3.3 scans 95% TIC 0.017% 2.07% 444 0.9 691 1340148 12985023 12981044 1-0 0.973 10.76 -0.0 99 98 98 100 251 159.4 5.341 -0.000 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1168 Glyceric acid 11.0207 1322.9 2.6 scans 88% 73 m/z 0.87% 0.0570% 469 1.1 130 27276 0.0625% 356899 314568 390904 1-5 20: 73 147 292 189 133 293 103 205 102 190 117 183 307 148 74 294 75 101 59 149 0.995 11.05 -2.0 96 94 93 98 292 37.4 8.206 -0.033 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0849 1326.8 2.7 scans 54% 184 m/z 8.7% 0.00570% 475 1.0 42 2724 0.00696% 35667 35289 43531 1-0 5: 184 285 134 174 77 0.965 11.06 1.3 93 94 83 94 285 13.7 10.549 0.022 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1018 Uracil 11.1428 1330.3 2.6 scans 63% 241 m/z 5.4% 0.00901% 481 1.2 50 4429 0.00927% 56355 50917 57979 1-4 6: 241 256 255 99 242 113 0.941 11.15 -0.3 95 94 85 99 256 15.8 9.959 -0.005 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1164 Itaconic acid 11.2206 1335.0 2.5 scans 66% 147 m/z 2.0% 0.0153% 488 1.0 70 11463 0.0166% 95803 88916 103824 2-3 7: 147 259 148 215 166 149 68 0.911 11.25 -1.9 87 84 86 94 259 12.7 3.270 -0.031 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1162 Fumaric acid 11.3627 1343.5 2.6 scans 93% 245 m/z 0.25% 0.160% 501 1.0 215 93763 1002734 974943 2-1 20: 245 147 73 246 75 143 247 83 240 133 148 149 115 84 74 155 53 59 157 61 0.976 11.39 -1.8 95 95 95 96 245 111.2 26.847 -0.030 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4616 1349.5 >3 scans 85% TIC 1.1% 0.0316% 511 0.9 98 21076 1.17% 198043 197411 7317721 1-0 0.991 11.45 1.0 92 89 96 99 145 26.5 7.369 0.016 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1160 Serine 11.5226 1353.1 2.6 scans 96% 204 m/z 0.043% 1.09% 517 0.7 569 551761 6866216 6445641 1-1 20: 204 73 218 205 147 100 188 219 278 206 133 75 306 74 220 116 59 189 132 216 0.999 11.56 -2.1 100 99 99 99 306 59.6 1.098 -0.034 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN BRA4_R~2-N1008 Thymine 11.5973 1357.6 2.8 scans 39% 255 m/z 6.4% 0.00310% 524 0.9 30 3716 19389 19389 0-0 3: 255 270 256 0.824 11.58 0.8 96 97 78 98 270 11.6 15.121 0.013 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1024 Threonine 11.9246 1377.3 2.5 scans 97% 73 m/z 0.097% 0.510% 555 0.9 407 245484 3195533 3135882 1-1 20: 73 218 219 117 291 147 292 101 220 75 100 57 74 293 203 128 133 221 132 129 0.997 11.92 0.2 100 98 99 100 320 36.4 0.801 0.004 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN N406_R~1-N1016 b-Alanine 12.6085 1419.4 2.5 scans 59% 248 m/z 6.8% 0.00876% 620 1.0 53 3504 54832 54832 1-0 4: 248 174 290 249 0.907 12.60 0.4 94 93 91 100 304 4.3 0.671 0.007 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1150 Citrulline 13.0315 1446.0 2.7 scans 68% 128 m/z (350) 4.7% 0.0149% 660 1.2 66 5000 0.0169% 93448 89782 105700 1-0 10: 128 243 115 141 100 169 70 244 129 142 0.956 13.08 -2.8 89 92 85 91 258 6.8 1.066 -0.045 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1148 Glutamine?? 13.3019 1463.0 2.8 scans 88% 155 m/z (318) 0.22% 0.155% 686 0.9 206 105282 0.206% 969668 934899 1288419 2-2 20: 155 73 147 156 229 139 75 59 74 100 148 157 84 131 230 72 56 103 158 257 0.996 13.35 -2.9 96 97 98 99 257 15.0 0.531 -0.045 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1026 Malic acid 13.5376 1477.9 2.5 scans 97% 73 m/z 0.066% 0.605% 708 1.0 441 360486 3784050 3648174 1-1 20: 73 147 233 245 133 75 148 189 74 190 175 335 149 191 55 101 234 265 217 59 1.000 13.53 0.3 100 100 100 100 335 54.9 1.554 0.005 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7638 1492.1 2.7 scans 96% 243 m/z 0.16% 0.444% 730 0.7 355 145817 2780262 2773888 2-0 20: 243 115 100 73 128 116 244 59 158 201 72 101 75 131 245 147 70 142 117 74 0.999 13.81 -2.7 100 99 99 99 243 136.0 14.647 -0.042 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0248 1509.0 2.6 scans 30% 232 m/z 0.21% 0.122% 754 1.4 186 112010 764779 709691 1-1 20: 232 233 218 100 234 202 188 306 216 219 334 292 220 204 130 203 235 189 221 293 0.924 14.02 0.5 93 93 84 98 258 6.4 0.000 0.008 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0584 1511.2 4.0 scans 93% TIC 0.031% 1.32% 758 0.4 523 749085 8290075 7889755 1-1 0.992 14.11 -3.5 99 97 97 99 273 21.8 0.174 -0.052 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1134 GABA 14.1963 1520.4 2.6 scans 91% 174 m/z (257) 0.048% 0.966% 771 0.9 525 496474 0.999% 6047233 5677241 6248208 0-1 19: 174 304 73 147 175 305 176 75 86 246 216 306 59 143 133 148 172 130 74 0.996 14.24 -3.0 91 89 94 99 304 154.9 8.708 -0.046 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1032 GABA 14.1973 1520.4 2.8 scans 89% TIC 0.048% 0.983% 771 0.9 517 494687 1.08% 6151549 6076842 6754819 0-1 0.971 14.19 0.6 99 98 98 99 304 154.5 8.928 0.009 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3615 1531.3 2.6 scans 64% 292 m/z 1.0% 0.0486% 787 1.1 118 22012 304336 279518 1-2 13: 292 220 205 293 294 221 291 409 319 102 206 379 222 0.985 14.62 -17.3 96 95 91 96 409 9.7 0.681 -0.260 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6192 1548.4 2.5 scans 97% 73 m/z 0.045% 1.05% 811 0.9 583 520996 6594527 6345128 1-1 20: 73 292 147 220 205 293 217 117 103 221 294 148 133 74 319 75 291 149 102 206 1.000 14.69 -4.8 100 99 98 99 409 43.0 0.545 -0.073 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1126 Pyrazine 15.0717 1578.4 2.8 scans 77% TIC 0.54% 0.112% 854 1.4 170 44152 0.358% 706735 601250 2239097 1-6 0.859 15.13 -4.0 98 98 96 99 344 47.9 7.944 -0.060 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1120 Glutamic acid 15.5063 1607.6 2.4 scans 79% 246 m/z 0.79% 0.0467% 895 1.2 123 29988 292676 292583 0-1 12: 246 128 247 248 348 230 156 84 56 158 218 129 0.982 15.56 -3.7 98 97 95 98 363 12.6 1.058 -0.054 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.6978 1620.9 6.5 scans 75% TIC 0.72% 0.0365% 913 1.4 114 33052 0.550% 228397 228397 3439954 0-0 0.977 15.44 17.9 81 76 82 93 393 0.0 0.000 0.258 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1042 Ribose 16.1039 1649.1 3.5 scans 54% TIC 2.9% 0.00960% 952 0.7 65 8050 0.549% 60068 60068 3433700 0-0 0.892 16.10 0.1 90 89 79 92 307 20.3 9.754 0.001 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1112 Asparagine?? 16.2028 1656.0 2.7 scans 64% 116 m/z 2.1% 0.0294% 961 1.0 89 11223 0.0322% 184324 184324 201394 0-0 6: 116 231 132 188 202 159 0.945 16.26 -4.0 91 91 90 94 348 6.5 0.529 -0.059 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.2281 1657.7 3.0 scans 54% 290 m/z (116) 2.8% 0.0133% 964 1.8 53 8297 0.0141% 83470 73461 88188 1-2 5: 290 291 292 359 392 0.904 16.28 -3.4 88 89 76 96 392 7.3 1.853 -0.048 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1108 Ribose 16.3207 1664.1 2.7 scans 83% 73 m/z 0.39% 0.149% 973 0.7 192 59973 0.182% 935101 876423 1138312 1-0 20: 73 103 307 217 147 189 308 277 160 218 309 104 74 133 89 105 233 278 59 75 0.956 16.38 -3.8 95 95 92 97 467 3.9 0.042 -0.054 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6153 1684.6 2.8 scans 36% 319 m/z (147) 8.6% 0.00754% 1001 1.1 46 2752 0.0105% 47192 46968 65672 1-0 4: 319 307 308 320 0.935 16.68 -4.2 86 91 73 90 497 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1104 Rhamnose 16.8762 1702.9 2.9 scans 63% TIC 1.5% 0.0196% 1025 1.0 89 15284 0.183% 122844 117575 1144567 3-0 0.956 16.93 -4.0 83 84 85 87 392 8.2 0.853 -0.056 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0004 1711.9 3.0 scans 64% 73 m/z 2.2% 0.0228% 1037 1.1 81 10478 142739 134282 0-1 13: 73 217 319 103 307 147 205 306 218 129 189 204 320 0.902 17.06 -4.6 91 93 86 92 510 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1098 UNKp_Cas 17.1min 1723 17.0961 1718.9 2.8 scans 21% 392 m/z 16% 0.00310% 1046 1.0 28 1435 0.00314% 19404 17794 19639 1-0 5: 392 302 89 276 393 0.568 17.16 -4.5 81 85 64 89 436 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1096 Putrescine 17.2024 1726.7 2.8 scans 74% 174 m/z (73) 0.026% 0.938% 1056 0.8 498 897460 5872016 5725507 1-1 20: 174 175 214 176 86 172 200 59 361 100 130 142 146 173 376 215 126 362 187 99 0.988 17.25 -3.3 95 96 95 98 458 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1044 Putrescine 17.2119 1727.4 >3 scans 80% 73 m/z 0.027% 1.30% 1057 0.6 564 875733 1.97% 8147667 7622370 12321290 4-0 3: 73 74 185 1.000 17.19 1.8 98 96 95 99 376 42.4 0.566 0.024 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3813 1739.7 2.6 scans 85% 292 m/z 0.83% 0.0642% 1073 1.2 136 28777 401976 401976 0-0 19: 292 333 103 307 217 293 334 335 294 319 218 393 308 277 129 219 104 221 305 0.977 17.44 -4.6 97 97 96 97 511 9.8 0.520 -0.062 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5728 1753.7 2.6 scans 94% TIC 0.10% 0.362% 1092 1.0 328 229891 0.588% 2269172 2177202 3677624 0-1 0.999 17.63 -4.3 95 93 95 95 450 53.9 2.694 -0.059 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1088 Glutamine?? 17.6580 1759.9 >3 scans 67% TIC 0.82% 0.0647% 1100 0.9 134 28848 0.833% 405286 405286 5209967 0-0 0.965 17.73 -5.0 83 81 85 86 511 4.3 0.104 -0.068 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7001 1763.0 3.0 scans 81% 73 m/z (292) 0.57% 0.154% 1104 0.9 184 41402 0.373% 964460 798691 2332914 0-2 20: 73 334 204 256 129 335 147 257 255 375 75 336 133 217 167 149 285 215 211 166 0.993 17.70 0.1 96 97 96 99 375 21.7 1.394 0.001 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1046 Shikimic acid 18.1241 1794.0 5.7 scans 78% TIC 0.98% 0.0542% 1144 1.6 111 24354 0.306% 339543 339509 1913865 0-1 0.971 18.13 -0.0 92 92 89 94 372 12.9 1.349 -0.001 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1048 Citric acid 18.2493 1803.2 2.5 scans 67% 273 m/z 0.71% 0.0843% 1156 1.1 160 33653 527805 477693 1-7 16: 273 363 347 375 274 465 275 348 211 376 221 364 142 466 183 305 0.973 18.24 0.4 96 94 93 99 465 24.6 2.370 0.005 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1082 Citric acid 18.2535 1803.5 4.1 scans 66% TIC 0.58% 0.125% 1156 1.7 159 41095 0.261% 782590 755507 1632415 3-0 0.754 18.32 -5.2 86 89 84 96 465 21.5 1.830 -0.067 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1076 Pregnane?? 18.7859 1844.2 2.5 scans 97% 345 m/z 0.030% 1.55% 1207 0.8 700 795729 9694424 9517898 0-1 20: 345 73 255 346 147 347 334 204 256 191 435 419 372 257 133 74 148 239 75 348 0.999 18.86 -5.5 100 99 99 100 537 52.1 0.558 -0.072 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1074 Adenine 18.8764 1851.1 2.9 scans 57% 264 m/z 0.72% 0.0378% 1216 1.1 99 32817 0.111% 236432 236432 694245 0-0 13: 264 279 265 266 192 280 84 165 124 278 99 281 237 0.975 18.94 -4.8 96 95 91 97 415 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1050 Fructose 18.9732 1858.4 2.9 scans 98% 73 m/z 0.018% 3.89% 1225 0.5 1007 1298541 24366759 24296903 2-0 20: 73 307 217 103 147 308 277 218 133 309 364 189 117 205 74 219 104 89 148 75 1.000 18.98 -0.6 100 99 100 100 364 114.3 1.293 -0.007 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1052 Fructose 19.0911 1867.4 2.8 scans 96% 73 m/z 0.024% 2.81% 1236 0.7 889 982527 17627326 16623525 2-3 20: 73 217 307 103 147 308 218 277 309 364 205 133 74 262 219 89 117 104 189 148 1.000 19.10 -1.0 100 99 100 100 364 102.5 1.334 -0.013 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1054 Galactose 19.2047 1876.1 2.7 scans 73% 319 m/z (204) 0.84% 0.0636% 1247 0.9 139 28195 5.49% 398010 398010 34336997 0-0 12: 319 205 160 320 103 161 229 148 105 322 291 157 0.990 19.22 -0.9 94 95 94 97 376 4.7 0.114 -0.011 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1056 Glucose 19.2942 1882.9 2.9 scans 97% TIC 0.025% 2.97% 1255 0.7 902 921898 18634578 18280014 0-1 1.000 19.33 -2.9 97 94 98 99 364 56.4 0.391 -0.038 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1064 Mannose 19.2942 1882.9 2.8 scans 96% 319 m/z 0.026% 2.92% 1255 0.7 895 919001 18273553 17893058 0-1 20: 319 73 205 147 320 160 217 321 103 206 117 133 74 229 129 148 157 204 189 207 0.985 19.45 -12.3 99 97 99 99 319 340.6 14.538 -0.161 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5257 1900.6 3.0 scans 95% 174 m/z 0.013% 2.95% 1277 0.6 869 1772845 18460475 17347994 1-1 20: 174 73 175 338 319 86 176 205 147 339 100 320 59 160 74 179 103 217 117 340 0.997 19.49 2.8 84 77 85 96 338 168.4 3.793 0.036 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1061 Lysine 19.6067 1907.1 2.8 scans 87% TIC 0.67% 0.0993% 1285 1.0 175 35338 2.84% 621257 590095 17762672 0-1 0.991 19.61 -0.5 88 82 80 98 434 18.4 1.100 -0.006 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN N406_R~2-N1016 Galacturonic acid 19.7571 1919.2 2.7 scans 20% 333 m/z 7.4% 0.00372% 1299 1.7 30 3191 0.00549% 23317 21106 34337 2-0 3: 333 160 334 0.931 19.79 -2.9 87 89 80 91 423 4.3 1.975 -0.036 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1064 Tyrosine 19.8045 1923.0 3.4 scans 78% TIC 0.65% 0.0991% 1304 1.3 141 36789 0.133% 620168 526469 831843 1-2 0.967 19.81 -0.3 83 78 81 94 382 12.1 0.734 -0.004 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2917 1962.2 2.6 scans 95% 73 m/z 0.12% 0.463% 1350 1.0 376 190568 2900431 2792589 1-1 20: 73 217 147 394 103 307 395 333 218 205 433 277 74 308 148 393 191 189 133 305 0.983 20.30 -0.3 100 98 99 100 433 42.1 1.253 -0.004 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1052 Gluconic acid 2 20.5105 1979.8 3.1 scans 54% 292 m/z 3.3% 0.0163% 1371 1.1 74 7085 0.0803% 102122 102122 502233 0-0 11: 292 319 359 293 333 205 294 320 305 103 433 0.962 20.60 -6.9 87 87 80 87 613 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1054 Gluconic acid 3 20.7357 1997.9 3.0 scans 84% 73 m/z 0.75% 0.0729% 1392 1.4 146 31778 0.130% 456558 455947 813080 1-0 20: 73 147 319 205 217 292 214 103 305 189 293 346 320 74 117 334 359 307 433 321 0.987 20.55 15.0 86 83 88 90 613 0.0 0.000 0.187 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1048 Galactaric acid 21.0829 2027.0 4.2 scans 52% 333 m/z 8.8% 0.00453% 1425 1.5 36 2696 0.0124% 28348 27616 77555 1-0 3: 333 292 73 0.875 21.15 -5.7 81 83 73 82 627 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN WTF2-N1038 C16:0 21.1366 2031.5 3.0 scans 85% TIC 2.0% 0.0400% 1430 1.2 101 11803 0.0446% 250307 237240 278949 0-1 0.985 20.62 43.2 86 91 91 95 328 11.4 1.258 0.520 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1044 myo-Inositol 21.7058 2079.3 10.5 scans 28% 434 m/z (73) 0.021% 7.31% 1484 1.3 761 1126491 45755895 45573778 1-0 10: 434 368 393 343 189 419 395 379 181 323 0.821 21.77 -5.1 96 97 95 100 612 39.2 0.267 -0.061 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.7058 2079.3 10.5 scans 100% 434 m/z 0.011% 25.5% 1484 1.3 1442 2020038 159903118 159266674 1-0 10: 434 368 393 343 189 419 395 379 181 323 0.996 21.75 -3.6 100 99 99 99 507 101.5 0.497 -0.043 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1040 myo-Inositol 21.7595 2083.8 10.0 scans 50% 73 m/z (319) 0.011% 12.7% 1490 0.1 1053 2168306 79603788 78221964 1-1 20: 73 217 147 191 204 265 218 133 129 74 148 103 192 219 75 221 291 131 266 205 0.951 21.78 -1.8 85 92 88 90 378 16.1 0.024 -0.022 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.9110 2096.6 3.4 scans 82% 319 m/z 0.79% 0.0779% 1504 1.1 149 30014 12.0% 487722 457343 75053545 0-1 20: 319 73 205 320 147 321 217 103 262 206 229 117 204 157 133 74 263 89 207 189 0.993 21.93 -1.5 94 93 94 95 656 0.0 0.000 -0.019 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1940 2121.1 2.5 scans 93% 396 m/z 0.15% 0.369% 1531 0.9 337 158821 2308088 2170326 5-3 20: 396 219 73 397 381 398 220 191 307 382 249 293 75 74 147 221 399 308 383 233 0.986 22.19 0.6 99 97 95 99 396 144.7 18.386 0.008 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6591 2161.8 3.1 scans 93% 204 m/z 0.20% 0.243% 1575 1.7 242 117961 0.322% 1520901 1427986 2013937 1-2 20: 204 73 205 147 217 249 206 117 131 361 191 75 74 218 103 129 189 133 219 362 0.999 22.71 -4.7 93 88 93 99 518 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN BRA4_R~4-N1012 Spermidine 22.9032 2183.1 3.1 scans 32% 174 m/z 15% 0.00361% 1598 1.4 30 1496 0.00373% 22595 22595 23329 0-0 3: 174 200 201 0.794 22.90 0.3 91 95 75 97 418 5.9 3.962 0.003 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN WTF2-N1036 C18:0 23.3956 2227.3 2.9 scans 79% 341 m/z 2.3% 0.0316% 1645 1.7 88 10131 0.0422% 197722 175189 263938 1-4 12: 341 117 342 132 145 129 55 356 57 118 83 297 0.984 22.89 45.5 88 94 90 94 356 11.5 1.703 0.507 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN BRA4_R~2-N1006 Spermidine 23.5114 2237.9 2.8 scans 41% 144 m/z (363) 7.3% 0.00958% 1656 1.1 53 3251 59965 58526 0-1 10: 144 174 160 156 116 86 170 172 142 201 0.956 23.51 0.2 87 89 79 93 490 3.8 0.517 0.002 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6478 2343.4 5.6 scans 79% 73 m/z 0.75% 0.0830% 1764 1.1 156 31827 0.249% 519332 519332 1557361 0-0 20: 73 331 147 262 191 217 307 421 319 205 103 332 422 259 376 320 305 192 218 333 0.998 24.65 -0.2 96 95 94 96 466 10.0 0.412 -0.002 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7403 2352.2 2.9 scans 86% 73 m/z 0.61% 0.113% 1773 0.6 182 39197 0.265% 711916 711916 1657432 0-0 20: 73 217 204 147 292 375 103 305 219 451 218 376 233 293 205 129 306 333 275 452 0.991 24.81 -6.2 96 96 95 96 451 21.8 1.428 -0.065 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 25.7873 2453.9 3.1 scans 54% 204 m/z 4.4% 0.00701% 1872 1.3 48 5420 0.0106% 43862 43075 66297 1-0 6: 204 92 73 217 205 210 0.897 25.86 -6.8 82 81 63 87 361 2.3 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3607 2511.1 2.7 scans 95% 204 m/z 0.035% 1.32% 1927 0.9 614 681789 1.75% 8260199 7788811 10945309 2-0 20: 204 73 147 205 495 217 206 496 117 363 273 129 74 497 130 103 143 75 191 131 0.999 26.35 1.1 99 98 99 99 495 116.9 3.643 0.011 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5312 2528.7 2.7 scans 56% 512 m/z (204) 1.7% 0.0424% 1943 1.0 108 14066 0.0511% 265211 242016 319603 7-1 17: 512 455 513 247 456 57 483 514 349 457 248 263 484 383 423 511 179 0.965 26.57 -4.4 94 96 83 96 512 43.1 15.791 -0.042 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN WTF2-N1032 Sucrose 26.6448 2540.5 2.9 scans 39% 361 m/z 11% 0.00486% 1954 1.0 38 2003 30396 28286 0-2 3: 361 273 437 0.800 26.87 -23.2 83 88 70 87 451 5.0 1.779 -0.225 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1020 Sucrose 27.3971 2618.8 8.7 scans 10% 437 m/z (361) 0.044% 1.25% 2025 1.1 425 537866 1.86% 7856375 7604959 11633299 1-0 19: 437 438 451 439 452 453 247 435 173 441 343 348 349 391 198 367 315 381 375 0.851 27.46 -6.8 80 87 60 92 437 266.3 39.491 -0.064 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1014 Sucrose 27.4150 2620.7 8.4 scans 89% TIC 0.0077% 13.5% 2027 0.6 1312 3096413 17.3% 84745609 82248569 108202194 1-0 0.980 27.49 -8.0 100 99 98 100 437 263.8 4.075 -0.075 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1010 Sucrose 27.4192 2621.2 >6 scans 95% 217 m/z 0.0077% 14.3% 2027 0.5 1358 3096413 18.3% 89533822 86793751 114456656 1-0 16: 217 147 103 218 117 231 333 143 104 190 291 215 171 290 202 111 0.992 27.58 -17.0 100 99 98 99 437 263.8 3.802 -0.160 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1018 Sucrose 27.4266 2621.9 8.4 scans 51% 272 m/z (73) 0.0078% 7.85% 2028 0.3 994 3060461 10.0% 49105723 47524882 62544621 1-0 20: 272 157 189 148 244 321 259 55 292 227 127 260 348 223 303 135 213 349 288 123 0.952 27.47 -4.6 86 89 62 88 437 254.2 6.583 -0.043 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1016 Sucrose 27.4424 2623.6 8.1 scans 44% 73 m/z (361) 0.014% 2.66% 2030 2.7 909 1678879 7.74% 16638909 16638909 48409537 0-0 20: 73 217 147 103 129 169 243 74 75 191 133 230 189 117 148 131 229 149 231 273 0.926 27.48 -3.7 84 89 91 89 437 15.8 0.000 -0.035 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1008 Sucrose 27.4424 2623.6 8.1 scans 100% 73 m/z 0.0078% 5.98% 2030 2.7 1373 3060461 17.4% 37449966 37449966 108827640 0-0 20: 73 217 147 103 129 169 243 74 75 191 133 230 189 117 148 131 229 149 231 273 0.999 27.59 -15.9 100 99 97 99 437 257.8 3.546 -0.149 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN LQC1-N1006 Trehalose 28.3683 2723.7 4.2 scans 62% TIC 3.9% 0.0164% 2118 0.5 63 5996 0.0471% 102603 102603 294585 0-0 0.961 28.47 -11.2 86 85 75 92 565 0.0 0.000 -0.100 G:\GCMS data\Nicotiana Panel polar\N406_REP4.FIN GUA35_L1-N1020 Galactinol 30.1518 2925.6 2.9 scans 93% 204 m/z 0.28% 0.156% 2287 1.0 207 84755 0.239% 979615 937524 1494816 0-3 20: 204 73 217 205 147 191 361 206 305 129 218 433 103 192 318 343 641 230 435 149 0.998 30.55 -46.8 90 95 96 98 641 15.2 0.538 -0.393 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN EXBLK5S-N1006 Contamination 6.4111 1050.6 3.1 scans 57% 207 m/z 1.3% 0.0359% 31 1.2 81 18308 0.0747% 241660 159292 501723 2-15 9: 207 295 208 209 191 296 297 193 279 0.955 6.63 -12.7 97 97 89 97 295 26.7 10.964 -0.214 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1194 Alanine 7.4770 1113.8 15.2 scans 65% TIC 1.0% 0.0880% 132 1.2 94 22633 0.189% 591214 591214 1269420 0-0 0.930 7.40 4.3 95 94 93 96 283 5.2 0.302 0.073 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN A-KETO~2-N1006 Contamination?? 8.0178 1145.9 3.0 scans 64% 156 m/z (125) 2.6% 0.0172% 184 1.2 64 9253 0.0263% 116021 96331 176644 24-3 5: 156 55 157 54 61 0.948 7.96 3.7 95 97 92 98 156 34.6 29.664 0.061 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1192 Contamination 8.0967 1150.5 3.1 scans 55% TIC 4.4% 0.00704% 191 2.2 52 5397 0.0227% 47313 47313 152465 0-0 0.869 7.99 6.3 92 93 83 93 235 9.8 3.538 0.108 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1188 Contamination 8.3997 1168.5 5.1 scans 79% 281 m/z 1.9% 0.0439% 220 2.0 81 12520 0.0446% 295090 249744 299556 7-10 9: 281 369 147 282 283 370 249 371 265 0.998 8.41 -0.9 98 98 84 99 369 23.7 8.652 -0.015 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1186 Phosphate 8.6239 1181.8 2.4 scans 88% TIC 0.39% 0.0738% 241 1.9 146 61617 495687 444029 0-8 0.978 8.56 3.8 100 99 97 99 299 0.0 0.000 0.063 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1184 Valine 9.2341 1217.7 5.8 scans 70% 144 m/z 1.5% 0.0294% 299 0.4 69 15283 0.0460% 197972 195511 308959 1-3 7: 144 73 218 145 147 219 146 0.955 9.19 2.7 97 97 90 97 218 21.1 9.243 0.046 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1180 Benzoic acid 9.7960 1250.6 3.4 scans 60% 179 m/z 5.9% 0.00927% 352 0.6 45 4056 62263 60867 2-0 5: 179 105 135 77 180 0.866 9.76 2.1 88 85 82 97 194 6.8 2.248 0.037 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1178 Ethanolamine 10.0191 1263.7 5.5 scans 77% 174 m/z 1.0% 0.0532% 374 1.0 89 23193 0.857% 357485 332449 5756046 2-0 9: 174 73 175 100 86 262 130 201 172 0.984 10.03 -0.8 96 95 93 97 262 9.9 1.226 -0.015 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN VEN77_S6-N1002 Glycerol 10.1590 1271.9 5.2 scans 98% TIC 0.0065% 7.56% 387 0.3 1116 3700920 50836675 49729727 1-1 1.000 10.09 3.9 99 98 95 99 299 692.0 38.713 0.065 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1176 Isoleucine 10.4757 1290.4 3.4 scans 25% 158 m/z 1.1% 0.0198% 417 0.7 65 20304 0.0446% 133321 108687 299556 4-0 7: 158 218 159 100 232 219 160 0.963 10.46 1.0 87 87 62 87 260 6.6 1.039 0.017 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1012 Proline 10.5683 1295.8 3.0 scans 96% 142 m/z 0.017% 1.58% 426 0.5 620 1392312 1.78% 10670569 10163611 11955382 4-0 20: 142 73 143 147 216 144 75 59 72 74 66 141 217 133 100 148 101 70 244 131 1.000 10.53 2.0 99 97 98 100 216 113.4 3.364 0.035 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6346 1299.7 3.1 scans 87% 147 m/z 0.13% 0.218% 432 1.0 259 184816 2.71% 1470262 1470262 18201734 0-0 20: 147 73 245 148 75 83 149 74 246 133 170 143 84 126 59 66 58 61 215 54 0.989 10.60 1.9 99 98 98 98 245 60.0 5.359 0.033 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1170 Glycine 10.6925 1303.2 >4 scans 55% TIC 1.0% 0.0170% 438 1.0 96 21922 2.58% 114349 114349 17328588 0-0 0.978 10.69 0.4 98 98 94 98 276 14.6 2.304 0.005 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7882 1308.9 3.1 scans 96% 147 m/z 0.014% 2.33% 447 0.7 770 1666896 15674392 15075249 1-1 20: 147 73 251 148 76 149 58 132 74 133 177 252 176 150 118 59 62 146 253 72 0.992 10.76 1.8 99 97 96 99 251 180.1 5.485 0.030 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1168 Glyceric acid 11.0429 1324.3 2.5 scans 96% 73 m/z 0.16% 0.271% 471 1.0 301 148367 1823279 1724078 4-1 20: 73 147 292 189 133 103 205 293 102 117 148 190 307 75 74 294 59 149 101 191 0.999 11.05 -0.6 100 99 99 100 292 88.5 8.618 -0.011 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.1155 1328.6 2.7 scans 65% 184 m/z 5.9% 0.00906% 478 1.0 53 4040 60907 58456 1-2 6: 184 134 285 174 86 286 0.946 11.06 3.1 96 97 86 97 285 16.5 9.646 0.052 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1018 Uracil 11.1660 1331.7 2.6 scans 49% 241 m/z 7.7% 0.00456% 483 1.1 38 3113 0.00491% 30671 28839 32978 1-0 5: 241 256 255 99 242 0.912 11.15 1.1 93 93 89 96 256 12.8 11.374 0.018 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1164 Itaconic acid 11.2428 1336.3 2.7 scans 78% 147 m/z 1.6% 0.0231% 490 1.1 85 14625 0.0232% 155286 142902 155823 4-1 11: 147 73 148 259 215 149 97 133 68 74 141 0.939 11.25 -0.6 83 78 85 94 259 15.4 3.237 -0.009 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1162 Fumaric acid 11.3848 1344.8 2.6 scans 94% 245 m/z 0.18% 0.223% 504 0.9 258 131738 1499638 1479805 2-0 20: 245 147 73 246 75 240 143 247 83 133 149 148 115 74 155 84 53 166 241 61 0.994 11.39 -0.5 93 91 93 93 245 130.6 25.697 -0.008 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4795 1350.5 >4 scans 76% TIC 1.5% 0.0260% 513 0.9 85 15664 0.624% 174696 174696 4191100 0-0 0.983 11.45 2.0 90 86 95 99 145 22.8 7.121 0.034 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1160 Serine 11.5321 1353.7 2.7 scans 95% TIC 0.12% 0.426% 518 0.9 349 192461 0.454% 2865663 2762651 3049294 0-1 0.992 11.56 -1.5 99 98 98 99 306 34.9 0.999 -0.025 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN BRA4_R~2-N1008 Thymine 11.6110 1358.5 3.1 scans 36% 255 m/z 8.6% 0.00217% 525 0.9 24 2770 14631 14631 1-0 3: 255 270 256 0.986 11.58 1.7 94 95 75 96 270 9.3 14.486 0.027 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7552 1367.1 3.1 scans 78% 147 m/z 1.8% 0.0282% 539 0.9 87 13108 0.0503% 189828 183452 337840 0-1 15: 147 73 247 101 116 148 102 59 262 87 131 217 219 75 66 0.983 11.79 -1.8 88 84 92 96 262 10.0 1.320 -0.030 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1024 Threonine 11.9372 1378.1 2.5 scans 97% 73 m/z 0.10% 0.462% 556 1.0 394 234569 3109300 2991374 1-1 20: 73 218 219 117 291 292 147 101 220 75 57 100 74 293 133 128 203 221 132 202 0.997 11.92 1.0 100 98 99 100 320 35.1 0.796 0.016 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN N406_R~1-N1016 b-Alanine 12.6264 1420.5 2.8 scans 46% 248 m/z 6.5% 0.00987% 621 1.0 55 3665 66315 66315 1-0 8: 248 174 290 249 250 129 189 175 0.713 12.60 1.5 87 85 66 99 304 0.0 0.000 0.024 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1150 Citrulline 13.0399 1446.5 4.4 scans 60% TIC 4.5% 0.0156% 661 0.8 60 5255 0.0231% 105437 104485 155151 1-0 0.867 13.08 -2.3 88 92 79 90 258 7.3 1.483 -0.036 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1148 Glutamine?? 13.3114 1463.6 2.9 scans 87% 155 m/z 0.49% 0.0709% 687 0.8 141 48863 0.0814% 476740 469818 546724 1-1 16: 155 73 147 156 229 139 74 59 157 100 230 84 56 72 131 103 0.971 13.35 -2.3 95 93 96 98 257 10.5 0.550 -0.036 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1146 Malic acid 13.5671 1479.7 2.9 scans 99% 73 m/z 0.017% 2.80% 711 0.5 888 1383760 18837489 18803099 1-0 20: 73 147 233 245 133 189 148 75 190 335 74 175 191 149 55 101 234 265 217 59 0.999 13.62 -3.1 100 99 99 99 350 21.7 0.060 -0.050 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1142 Erythritol/Threitol 13.7197 1489.3 >2 scans 67% TIC 3.1% 0.00849% 725 1.0 62 7598 0.328% 57087 52725 2203014 1-0 0.915 13.89 -10.8 83 81 75 89 320 3.7 0.371 -0.170 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.7702 1492.5 3.0 scans 94% 115 m/z 0.25% 0.303% 730 0.7 286 95593 2035465 1869546 3-1 20: 115 243 100 73 128 116 244 59 201 72 158 101 245 70 131 75 74 142 117 147 0.998 13.81 -2.3 100 99 99 99 243 107.6 14.141 -0.036 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0374 1509.8 2.4 scans 33% 232 m/z (73) 0.085% 0.274% 756 0.9 294 281816 1844910 1779752 0-3 20: 232 233 218 100 234 202 188 216 306 219 117 292 334 130 204 101 203 142 235 174 0.970 14.02 1.3 93 94 89 97 258 8.1 0.000 0.020 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1140 Aspartic acid 14.0427 1510.2 >3 scans 69% 73 m/z (156) 0.069% 0.622% 756 0.8 424 345854 1.28% 4183310 4052176 8597129 1-0 8: 73 75 74 133 149 70 146 88 0.988 14.09 -2.9 98 99 99 99 349 21.0 0.246 -0.044 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0711 1512.1 3.1 scans 93% 156 m/z 0.024% 1.36% 759 0.5 582 980134 9178779 9009494 1-0 16: 156 147 157 258 230 158 72 59 259 231 148 58 140 112 86 121 0.977 14.11 -2.6 99 99 97 99 273 24.3 0.175 -0.039 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1032 GABA 14.2016 1520.7 2.6 scans 85% 174 m/z 0.062% 0.604% 771 0.9 437 388137 4057748 3882608 4-1 19: 174 304 147 175 305 176 75 86 59 143 306 246 216 148 133 130 131 149 144 0.971 14.19 0.9 100 99 96 99 304 134.3 9.460 0.014 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1134 GABA 14.2016 1520.7 2.6 scans 65% 174 m/z (73) 0.061% 0.470% 771 0.9 381 393284 3160587 3024170 4-1 19: 174 304 147 175 305 176 75 86 59 143 306 246 216 148 133 130 131 149 144 0.987 14.24 -2.7 91 92 77 93 304 134.3 12.466 -0.040 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3667 1531.7 2.9 scans 88% TIC 0.27% 0.197% 787 0.8 221 87204 0.219% 1329064 1091758 1470915 0-8 0.989 14.62 -16.9 98 97 97 98 409 17.0 0.592 -0.254 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6582 1551.0 3.5 scans 98% 292 m/z 0.012% 6.18% 815 0.3 1214 1970571 41556652 40986869 1-0 20: 292 73 147 220 205 217 293 117 294 221 103 319 148 291 133 74 206 149 245 102 0.999 14.69 -2.2 100 100 100 100 409 97.5 0.648 -0.034 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1126 Pyrazine 15.0812 1579.1 2.5 scans 80% 227 m/z 0.80% 0.0635% 855 1.0 144 30038 426814 412367 1-1 19: 227 344 301 345 154 302 228 139 211 303 346 329 212 126 59 112 74 153 229 0.982 15.13 -3.3 99 98 96 98 344 41.6 8.319 -0.051 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1120 Glutamic acid 15.5126 1608.0 2.7 scans 66% 246 m/z 1.4% 0.0243% 896 1.1 88 16144 163297 153871 1-1 10: 246 247 128 248 348 156 230 84 363 56 0.955 15.56 -3.3 96 96 91 96 363 9.5 1.185 -0.047 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1042 Ribose 16.1039 1649.1 3.0 scans 55% 73 m/z 2.9% 0.0112% 952 1.0 64 8236 0.270% 75814 75814 1813457 0-0 9: 73 103 307 217 308 147 218 189 277 0.896 16.10 0.1 92 95 86 94 307 18.8 8.722 0.001 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1112 Asparagine?? 16.2070 1656.3 2.5 scans 59% 116 m/z 2.3% 0.0174% 962 1.0 78 10148 0.0196% 116964 116964 131644 0-0 8: 116 231 132 188 141 100 232 202 0.912 16.26 -3.7 90 91 89 93 348 5.8 0.562 -0.055 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.2291 1657.8 3.0 scans 29% 290 m/z 3.1% 0.00698% 964 1.9 40 7619 0.00816% 46886 42907 54807 3-1 6: 290 291 392 292 359 158 0.950 16.28 -3.3 82 84 54 92 392 8.3 4.336 -0.047 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1108 Ribose 16.3207 1664.1 2.6 scans 88% 73 m/z 0.22% 0.211% 973 0.7 250 105628 0.240% 1418752 1418752 1611962 0-0 20: 73 103 307 217 147 308 189 277 160 218 133 309 74 104 75 105 233 89 129 117 0.964 16.38 -3.8 94 94 92 97 467 7.1 0.080 -0.054 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6153 1684.6 2.7 scans 29% 319 m/z (73) 4.1% 0.0117% 1001 1.3 59 5822 0.0232% 78658 78658 155823 0-0 9: 319 307 217 308 320 306 309 321 277 0.740 16.68 -4.2 87 91 44 90 497 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1104 Rhamnose 16.8752 1702.8 2.8 scans 65% 117 m/z 1.3% 0.0260% 1025 1.0 98 18178 0.159% 174875 174162 1067925 1-0 10: 117 73 160 118 161 321 219 278 131 119 0.923 16.93 -4.1 80 80 80 85 392 14.4 2.154 -0.057 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9268 1706.6 2.6 scans 41% 217 m/z 3.7% 0.0126% 1030 1.1 67 6366 0.0167% 84931 84577 112166 0-1 12: 217 205 103 307 319 204 218 206 308 129 320 189 0.688 16.99 -4.5 85 85 55 89 422 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9983 1711.8 2.7 scans 66% 217 m/z (133) 2.1% 0.0274% 1037 1.1 91 11372 0.464% 184218 180543 3116459 1-1 10: 217 205 319 307 218 189 204 320 308 206 0.990 17.06 -4.7 87 88 86 89 510 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1044 Putrescine 17.1972 1726.3 2.6 scans 79% 174 m/z (73) 0.061% 0.398% 1056 1.0 350 390806 2674159 2450286 1-2 20: 174 175 214 176 86 172 200 59 361 100 130 146 142 173 376 215 362 126 187 114 0.996 17.19 0.7 97 97 97 99 376 27.6 0.626 0.009 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1096 Putrescine 17.1972 1726.3 2.6 scans 69% 174 m/z 0.061% 0.336% 1056 1.0 327 391289 2261189 2071889 1-2 20: 174 175 214 176 86 172 200 59 361 100 130 146 142 173 376 215 362 126 187 114 0.997 17.25 -3.7 97 95 94 98 458 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3834 1739.9 2.8 scans 84% TIC 0.63% 0.0788% 1074 1.3 153 38157 0.589% 529733 527595 3956023 1-0 0.973 17.44 -4.4 98 97 96 99 511 10.0 0.422 -0.060 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5707 1753.6 2.7 scans 87% 217 m/z 0.15% 0.249% 1092 0.9 264 156942 0.383% 1672528 1574064 2572422 0-1 19: 217 73 218 147 450 219 305 232 191 451 74 257 148 129 169 452 149 203 220 0.994 17.63 -4.4 93 92 93 94 450 44.0 2.778 -0.061 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6980 1762.8 3.2 scans 31% 334 m/z (292) 2.4% 0.0316% 1103 1.0 86 9633 0.0376% 212600 190844 252541 0-2 12: 334 204 256 335 129 255 375 285 167 336 211 166 0.930 17.70 -0.1 85 88 79 90 375 10.6 1.506 -0.001 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1231 1793.9 >3 scans 76% TIC 0.65% 0.0554% 1144 2.5 133 37016 0.485% 372237 357774 3257506 0-2 0.979 18.13 -0.1 93 92 90 95 372 14.9 1.259 -0.002 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1084 Shikimic acid 18.1263 1794.1 2.5 scans 45% 204 m/z 0.64% 0.0345% 1144 1.0 102 37424 231914 219529 4-1 15: 204 205 206 357 255 254 372 358 195 256 373 331 359 239 283 0.812 18.20 -5.1 95 94 90 97 462 10.7 1.096 -0.071 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1082 Citric acid 18.2525 1803.5 2.9 scans 88% TIC 0.17% 0.333% 1156 1.5 307 134504 0.509% 2240754 2118971 3418702 5-0 0.954 18.32 -5.2 98 96 96 99 465 44.2 2.075 -0.068 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1076 Pregnane?? 18.7933 1844.7 2.6 scans 96% 345 m/z 0.016% 2.72% 1208 0.6 916 1423800 18284741 17079026 1-1 20: 345 73 346 255 147 347 334 204 191 256 435 419 372 133 257 239 74 148 348 75 1.000 18.86 -5.0 100 99 99 100 537 70.8 0.601 -0.065 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1074 Adenine 18.8775 1851.1 2.9 scans 58% 264 m/z 0.48% 0.0564% 1216 1.3 126 49425 0.0727% 379396 379396 488290 0-0 18: 264 279 265 266 280 192 84 281 124 111 99 85 237 193 176 164 238 248 0.894 18.94 -4.8 93 91 86 98 415 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1072 Fructose 18.9543 1857.0 2.6 scans 96% 73 m/z 0.049% 1.03% 1223 0.8 568 485635 6960310 6451376 5-1 20: 73 103 307 217 147 308 277 133 218 74 309 117 364 205 189 104 89 75 148 219 0.999 19.03 -6.0 99 98 99 99 364 59.7 1.107 -0.079 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1052 Fructose 19.0743 1866.2 2.7 scans 92% 73 m/z 0.078% 0.746% 1234 0.9 455 307327 1.73% 5015248 4258562 11619557 5-5 20: 73 217 307 103 147 308 277 218 309 74 364 205 89 133 262 117 148 104 219 75 0.996 19.10 -2.2 99 98 98 99 364 49.2 1.172 -0.030 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1054 Galactose 19.1942 1875.3 3.5 scans 72% TIC 1.1% 0.0356% 1246 1.7 113 21067 0.752% 239628 239628 5050813 0-0 0.988 19.22 -1.7 90 87 90 95 376 0.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1064 Mannose 19.1942 1875.3 2.6 scans 60% 319 m/z 1.3% 0.0301% 1246 1.0 103 17827 0.857% 202527 202527 5756046 0-0 5: 319 205 320 160 229 0.939 19.45 -19.9 88 89 83 89 319 39.6 14.745 -0.261 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1056 Glucose 19.2774 1881.6 2.7 scans 97% 73 m/z 0.068% 0.877% 1254 0.9 518 349856 0.913% 5892081 5840891 6132171 1-1 20: 73 319 205 147 160 320 217 321 103 206 117 74 133 229 129 148 157 189 75 291 1.000 19.33 -4.2 90 86 94 96 364 29.0 0.314 -0.055 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5141 1899.7 2.8 scans 96% TIC 0.022% 1.36% 1276 0.8 633 1050523 9163485 8797879 1-1 0.995 19.49 1.9 91 86 91 98 338 123.8 3.857 0.024 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1061 Lysine 19.6014 1906.7 2.7 scans 82% 174 m/z 1.2% 0.0478% 1284 1.0 122 19079 1.20% 321283 321283 8059808 0-0 19: 174 73 317 156 318 128 230 100 86 200 434 319 88 176 115 59 74 231 329 0.981 19.61 -0.9 88 84 80 98 434 12.7 1.091 -0.012 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7035 1914.9 2.9 scans 64% 73 m/z 2.9% 0.0140% 1294 1.5 69 8218 0.0558% 94529 85800 374781 3-0 8: 73 244 205 147 117 103 89 59 0.950 19.79 -7.0 83 84 80 85 434 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN N406_R~2-N1016 Galacturonic acid 19.7477 1918.5 2.6 scans 30% 333 m/z 3.9% 0.00600% 1298 1.1 43 6078 0.00961% 40335 40178 64546 0-1 5: 333 160 334 335 364 0.930 19.79 -3.6 88 89 81 93 423 5.9 1.908 -0.045 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN BRA4_R~2-N1010 Tyrosine 19.7992 1922.6 2.7 scans 53% 218 m/z 1.3% 0.0221% 1303 1.3 79 17770 0.0238% 148575 134807 159853 5-0 8: 218 280 219 220 100 354 281 355 0.941 19.82 -1.5 82 81 74 90 382 8.4 1.122 -0.019 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1056 Ascorbic acid 19.8897 1929.9 2.6 scans 43% 332 m/z 5.6% 0.00751% 1312 0.9 50 4285 0.0124% 50501 50501 83285 0-0 3: 332 333 374 0.907 19.99 -7.8 86 87 75 88 449 6.9 1.928 -0.096 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2896 1962.0 2.7 scans 94% 73 m/z 0.14% 0.366% 1350 1.0 337 162230 2463058 2347985 1-1 20: 73 217 147 394 103 307 395 333 218 396 205 433 277 308 74 219 305 148 133 117 0.979 20.30 -0.5 100 99 99 100 433 37.1 1.207 -0.006 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1054 Gluconic acid 3 20.4558 1975.4 2.8 scans 92% 73 m/z 0.37% 0.142% 1366 1.1 211 64080 0.295% 958710 958710 1981370 0-0 20: 73 147 333 205 319 292 204 217 346 214 103 334 305 142 320 74 189 244 117 133 0.997 20.55 -7.5 87 84 90 90 613 3.5 0.027 -0.093 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1052 Gluconic acid 2 20.5074 1979.5 2.9 scans 87% 73 m/z 0.45% 0.143% 1371 1.2 194 52612 0.266% 965140 818403 1786591 0-6 20: 73 292 147 319 217 205 305 333 293 320 103 359 433 294 277 74 435 306 206 321 0.995 20.60 -7.2 96 95 96 96 613 6.0 0.096 -0.090 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1048 Galactaric acid 21.0829 2027.0 >3 scans 65% TIC 4.9% 0.00867% 1425 1.3 52 4902 0.0292% 58261 58261 196122 0-0 0.927 21.15 -5.7 86 87 79 87 627 3.4 0.434 -0.068 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.7269 2081.1 11.2 scans 98% TIC 0.011% 26.4% 1486 0.1 1447 2058702 177798370 177752443 1-0 0.996 21.75 -1.8 100 99 99 99 507 105.6 0.535 -0.022 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1042 myo-Inositol 21.7700 2084.7 >2 scans 67% 305 m/z (73) 0.011% 3.08% 1491 2.1 1158 2061720 16.9% 20692458 20692458 113508968 0-0 20: 305 217 318 306 319 265 307 204 218 367 320 291 219 266 221 393 293 205 368 267 0.958 21.77 -0.4 90 92 76 95 318 370.9 10.282 -0.004 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8721 2093.3 >3 scans 72% 319 m/z 1.2% 0.0435% 1500 1.1 112 19818 3.95% 292412 292412 26530203 0-0 11: 319 205 320 103 262 321 206 229 157 117 89 0.971 21.93 -4.8 94 94 91 94 656 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1930 2121.0 2.5 scans 93% 396 m/z 0.20% 0.242% 1531 0.8 281 115000 0.244% 1629230 1602315 1638828 1-1 19: 396 219 73 397 381 398 220 191 307 382 249 293 75 74 383 308 221 399 175 0.991 22.19 0.5 98 97 95 98 396 122.0 18.869 0.007 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6570 2161.6 3.2 scans 90% 204 m/z 0.37% 0.123% 1575 1.7 175 64152 0.159% 826689 743764 1067925 2-2 20: 204 73 205 147 249 217 206 117 131 191 361 75 218 103 129 74 250 133 189 362 0.996 22.71 -4.9 95 92 94 100 518 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN WTF2-N1036 C18:0 23.3967 2227.4 3.7 scans 73% TIC 4.4% 0.0180% 1645 1.8 65 5350 0.0442% 121238 106046 296870 2-0 0.954 22.89 45.6 85 92 84 93 356 9.6 2.163 0.508 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6457 2343.2 6.0 scans 82% TIC 0.98% 0.0548% 1764 1.1 131 24319 0.238% 368184 368184 1598529 0-0 0.996 24.65 -0.4 95 94 92 94 466 8.5 0.417 -0.004 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7393 2352.1 2.7 scans 90% 73 m/z 0.59% 0.104% 1773 0.7 185 40228 0.209% 703427 703427 1403750 0-0 20: 73 217 204 147 292 375 305 103 219 451 218 306 129 293 205 275 233 363 376 74 0.994 24.81 -6.3 97 96 96 96 451 22.3 1.454 -0.066 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3534 2510.4 2.6 scans 94% 204 m/z 0.078% 0.540% 1926 1.0 415 307560 0.767% 3628641 3305318 5151561 3-0 20: 204 73 147 205 495 217 206 117 496 130 363 129 74 273 103 75 143 131 191 259 1.000 26.35 0.4 99 98 99 98 495 76.1 3.375 0.003 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5270 2528.3 >4 scans 71% TIC 2.1% 0.0375% 1943 0.7 100 11383 0.665% 251935 251935 4466477 0-0 0.993 26.57 -4.8 96 95 85 95 512 38.4 14.716 -0.046 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN WTF2-N1032 Sucrose 26.6438 2540.4 2.5 scans 41% TIC 13% 0.00217% 1954 1.0 33 1745 14610 13103 0-1 0.817 26.87 -23.3 81 85 71 84 451 3.6 1.196 -0.226 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1020 Sucrose 27.4024 2619.4 10.7 scans 15% 437 m/z (361) 0.046% 2.14% 2026 1.0 532 515467 3.22% 14427113 13942040 21627152 1-0 11: 437 451 438 439 452 440 322 463 433 184 477 0.687 27.46 -6.2 88 88 57 99 437 258.3 23.628 -0.059 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1018 Sucrose 27.4024 2619.4 10.7 scans 71% 437 m/z 0.0092% 9.82% 2026 1.0 1153 2606549 14.7% 65981164 63762727 98732652 1-0 11: 437 451 438 439 452 440 322 463 433 184 477 0.998 27.47 -7.1 100 99 98 99 437 266.8 5.403 -0.068 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN TAB_REP6-N1070 Sucrose 27.4098 2620.1 10.7 scans 82% 361 m/z (437) 0.0082% 16.6% 2026 1.4 1238 2933724 18.3% 111907593 108486809 122912078 1-0 20: 361 362 363 319 364 359 453 273 365 321 291 345 347 175 435 258 187 241 234 199 0.990 27.41 0.0 88 86 79 98 451 26.3 0.000 -0.000 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1014 Sucrose 27.4140 2620.6 10.6 scans 91% 271 m/z 0.0074% 18.4% 2027 1.3 1324 3225379 20.5% 123853613 120179500 137688393 1-0 20: 271 319 331 359 272 320 257 155 245 290 201 333 220 293 151 187 346 292 274 255 0.996 27.49 -8.1 100 99 99 100 437 268.4 4.143 -0.076 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1010 Sucrose 27.4172 2620.9 10.7 scans 98% TIC 0.0075% 22.3% 2027 1.3 1369 3199930 150020719 149734722 1-0 0.995 27.58 -17.3 100 99 98 99 437 259.7 3.623 -0.162 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1016 Sucrose 27.4193 2621.2 10.7 scans 49% 217 m/z (361) 0.015% 11.4% 2027 0.1 974 1532603 76830452 76591587 1-0 17: 217 230 148 149 170 157 233 231 232 259 163 141 173 142 135 239 405 0.963 27.48 -6.1 86 88 92 93 437 16.2 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1008 Sucrose 27.4634 2625.9 10.2 scans 100% 73 m/z 0.0078% 19.6% 2032 0.2 1359 3056435 131807506 130975658 1-0 20: 73 147 103 129 74 75 133 148 117 149 131 157 155 143 130 69 59 104 55 435 0.999 27.59 -13.6 100 99 97 99 437 242.4 3.201 -0.128 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN LQC1-N1006 Trehalose 28.3747 2724.4 3.6 scans 47% 361 m/z 8.9% 0.00493% 2118 1.3 36 2679 0.0542% 33127 30793 364035 0-4 1: 361 0.911 28.47 -10.5 84 85 67 87 565 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel polar\N406_REP6.FIN GUA35_L1-N1020 Galactinol 30.1539 2925.9 3.0 scans 93% 204 m/z 0.74% 0.0618% 2287 1.2 126 32453 0.100% 415262 407762 671651 0-2 20: 204 73 205 217 191 147 361 305 206 433 218 129 103 265 192 219 318 641 306 331 0.999 30.55 -46.5 90 95 95 96 641 9.6 0.576 -0.391 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN EXBLK5S-N1006 Contamination 6.5899 1061.2 2.5 scans 67% 207 m/z 1.0% 0.0278% 48 1.7 96 22892 0.0480% 255135 178165 439588 16-5 15: 207 73 295 208 209 296 191 297 279 192 193 189 210 247 177 0.954 6.63 -2.1 98 98 92 98 295 30.8 10.266 -0.035 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.7393 1070.1 6.1 scans 38% 117 m/z (234) 4.0% 0.0100% 62 2.1 56 5749 0.0236% 91713 72062 216131 0-4 2: 117 147 0.924 6.82 -4.8 89 90 86 97 295 3.4 0.000 -0.082 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1194 Alanine 7.3696 1107.4 5.2 scans 91% 116 m/z 0.24% 0.130% 122 0.5 185 95748 0.194% 1195827 1191868 1776669 0-1 20: 116 73 147 117 190 118 59 74 148 100 218 75 191 86 149 115 72 101 131 192 0.995 7.40 -2.1 99 98 98 99 283 7.0 0.142 -0.034 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN A-KETO~2-N1006 Contamination?? 7.8673 1136.9 2.8 scans 73% 156 m/z 2.7% 0.00894% 169 1.5 63 8595 0.0128% 81888 79954 117223 0-2 5: 156 75 55 157 54 0.957 7.96 -5.3 97 97 92 98 156 34.3 29.739 -0.090 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1192 Contamination 7.9493 1141.8 2.5 scans 81% 147 m/z 2.0% 0.0149% 177 1.1 87 11216 0.0232% 137022 129445 212468 2-0 20: 147 73 133 235 220 148 146 59 72 86 103 160 89 152 100 134 131 149 74 236 0.979 7.99 -2.4 98 98 96 98 235 17.4 3.954 -0.040 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1188 Contamination 8.3713 1166.8 3.6 scans 86% 281 m/z 1.2% 0.0359% 217 1.4 103 18560 0.0427% 329210 267414 391050 8-6 20: 281 147 369 73 282 283 370 265 371 159 191 207 131 251 267 284 149 193 74 208 0.978 8.41 -2.6 98 97 82 100 369 29.5 8.173 -0.044 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1186 Phosphate 8.5175 1175.5 2.4 scans 94% 241 m/z 0.22% 0.0727% 231 1.1 193 104485 666032 660204 0-3 20: 241 242 211 133 163 256 243 73 135 195 59 98 119 89 181 137 121 115 134 212 0.998 8.56 -2.5 100 99 99 100 299 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1190 Contamination 8.6880 1185.6 4.5 scans 68% 73 m/z 3.6% 0.0102% 247 1.7 55 6323 0.0147% 93986 93986 134624 0-0 8: 73 211 157 198 140 77 89 186 0.968 8.48 12.1 84 82 77 90 309 5.1 0.846 0.204 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1184 Valine 9.1467 1212.6 2.9 scans 76% 144 m/z (156) 2.0% 0.0105% 291 1.0 64 11617 0.0151% 96281 86293 138287 7-6 6: 144 73 218 145 219 146 0.962 9.19 -2.4 95 97 92 97 218 19.4 9.279 -0.041 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1180 Benzoic acid 9.7160 1245.9 2.8 scans 80% 179 m/z 2.2% 0.0135% 345 1.5 71 10363 123930 107302 1-8 9: 179 105 135 77 180 136 181 194 106 0.980 9.76 -2.6 97 96 93 98 194 9.7 1.834 -0.043 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1178 Ethanolamine 9.9895 1261.9 3.2 scans 83% TIC 1.2% 0.0210% 371 1.1 90 18800 6.87% 192688 184192 62916045 5-0 0.965 10.03 -2.6 93 93 92 92 262 9.1 1.019 -0.044 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN VEN77_S6-N1002 Glycerol 10.1200 1269.6 6.1 scans 100% 302 m/z 0.0048% 7.89% 383 0.5 1290 4793898 72271943 72271943 0-0 20: 302 212 303 213 253 206 267 91 120 286 318 178 182 222 223 271 138 228 106 122 0.997 10.09 1.6 99 98 95 99 299 810.9 39.751 0.026 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2442 1276.8 2.4 scans 91% 73 m/z 0.34% 0.0567% 395 1.1 168 67140 520034 490380 1-2 20: 73 198 77 211 199 70 74 239 381 289 72 212 200 75 143 170 92 63 189 104 0.996 10.24 0.2 99 98 97 99 381 18.5 1.219 0.004 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1176 Isoleucine 10.4325 1287.9 2.8 scans 31% 158 m/z 4.7% 0.00214% 413 1.4 30 4887 0.00436% 19643 18169 39929 1-0 2: 158 159 0.985 10.46 -1.5 81 83 57 82 260 0.0 0.000 -0.026 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN TAB_REP6-N1012 Proline 10.5262 1293.3 3.0 scans 96% 142 m/z 0.0091% 1.82% 422 0.7 842 2534362 2.15% 16728803 15511684 19689883 3-0 20: 142 73 143 147 216 144 75 74 72 59 141 66 217 148 133 100 244 218 131 101 0.999 10.53 -0.5 99 98 98 100 216 156.0 3.453 -0.007 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5946 1297.3 3.0 scans 88% 147 m/z 0.061% 0.290% 428 0.8 368 376255 2.13% 2662270 2662270 19506721 0-0 20: 147 73 245 148 75 149 83 133 74 246 115 84 170 58 59 126 215 66 242 72 0.995 10.60 -0.5 99 98 98 98 245 87.6 5.687 -0.007 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1170 Glycine 10.6493 1300.6 2.9 scans 79% 174 m/z 0.19% 0.100% 434 1.0 217 117871 0.967% 922715 922715 8855868 0-0 19: 174 73 248 175 86 276 176 133 100 249 59 250 130 277 74 131 158 101 117 0.957 10.69 -2.2 97 98 91 98 276 35.6 2.690 -0.038 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7450 1306.3 3.0 scans 94% TIC 0.015% 1.54% 443 0.7 749 1509661 3.90% 14187165 12606943 35716532 2-2 0.995 10.76 -0.8 99 97 96 99 251 186.5 6.226 -0.013 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1168 Glyceric acid 11.0133 1322.5 2.6 scans 97% 73 m/z 0.073% 0.496% 468 1.0 474 315728 4547635 4406864 1-1 20: 73 147 189 292 133 205 103 293 102 148 190 117 307 75 74 294 149 59 101 191 1.000 11.05 -2.4 100 100 99 100 292 145.7 9.470 -0.041 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0733 1326.1 2.9 scans 43% 184 m/z 9.8% 0.00290% 474 0.9 35 2367 0.00808% 26581 26581 73997 0-0 4: 184 285 134 174 0.931 11.06 0.6 88 90 62 90 285 13.7 15.706 0.010 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN TAB_REP6-N1018 Uracil 11.1280 1329.4 2.5 scans 55% 241 m/z 8.7% 0.00300% 479 1.9 36 2671 27523 26518 0-4 4: 241 256 255 99 0.915 11.15 -1.2 96 97 94 99 256 12.7 12.395 -0.020 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1164 Itaconic acid 11.2133 1334.5 2.9 scans 79% TIC 2.0% 0.0108% 487 0.9 70 11425 0.0136% 99583 92422 124550 1-1 0.978 11.25 -2.4 88 85 87 93 259 13.8 3.931 -0.039 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1162 Fumaric acid 11.3553 1343.1 2.7 scans 96% 245 m/z 0.15% 0.148% 501 1.1 254 149637 1361380 1312070 1-2 20: 245 147 73 246 75 143 247 83 133 149 148 115 155 74 84 53 61 59 157 58 0.998 11.39 -2.2 100 99 99 100 245 143.3 31.784 -0.038 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4500 1348.8 >3 scans 84% TIC 1.3% 0.0186% 510 0.9 93 17210 0.830% 171098 171098 7601211 0-0 0.985 11.45 0.3 91 87 94 99 145 26.3 7.927 0.004 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1160 Serine 11.5152 1352.7 2.6 scans 97% 204 m/z 0.039% 0.768% 516 0.7 588 586545 7039549 6734635 1-1 20: 204 73 218 205 147 100 219 188 278 206 306 75 133 74 220 116 59 189 216 132 1.000 11.56 -2.5 100 99 99 100 306 63.8 1.179 -0.042 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN BRA4_R~2-N1008 Thymine 11.5973 1357.6 3.0 scans 57% 156 m/z 6.0% 0.00317% 523 1.5 35 3866 29054 29054 0-0 4: 156 255 256 270 0.848 11.58 0.8 80 79 55 85 270 9.2 6.831 0.013 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7383 1366.1 >4 scans 69% 147 m/z (117) 1.3% 0.0299% 537 1.0 101 17652 0.0721% 274514 255430 660298 0-2 15: 147 247 101 262 59 116 87 131 103 102 248 129 217 148 66 0.982 11.79 -2.8 91 91 92 97 262 13.3 1.747 -0.047 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN TAB_REP6-N1024 Threonine 11.9161 1376.8 2.5 scans 96% 73 m/z 0.18% 0.187% 554 1.1 302 122636 1714308 1657037 1-1 20: 73 218 219 117 291 292 147 101 220 75 57 100 74 293 133 203 128 202 132 320 0.998 11.92 -0.3 100 99 99 100 320 28.4 0.884 -0.005 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1150 Citrulline 13.0293 1445.9 3.0 scans 83% TIC 1.8% 0.0378% 660 0.7 116 12741 0.0409% 346580 312512 374566 1-0 0.972 13.08 -2.9 94 93 93 97 258 13.6 1.368 -0.047 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1148 Glutamine?? 13.3092 1463.5 3.0 scans 96% 155 m/z 0.11% 0.213% 686 0.7 285 199287 1958968 1920580 7-0 20: 155 73 147 156 229 139 75 59 157 74 100 148 230 257 103 84 131 72 133 149 0.993 13.35 -2.4 99 98 99 99 257 23.3 0.669 -0.038 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1146 Malic acid 13.5512 1478.7 2.8 scans 98% TIC 0.032% 1.10% 709 0.6 669 724858 10131974 9956434 0-1 1.000 13.62 -4.1 100 99 99 99 350 17.3 0.067 -0.066 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1144 Contamination Parabanica acid 13.7753 1492.8 2.8 scans 98% 243 m/z 0.090% 0.553% 731 0.6 476 258411 5065862 5052678 2-0 20: 243 115 100 73 128 116 244 201 158 59 72 101 245 131 75 147 70 142 117 129 0.999 13.81 -2.0 100 100 99 100 243 188.3 15.665 -0.031 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN TAB_REP6-N1028 Aspartic acid 14.0310 1509.4 2.4 scans 40% 232 m/z (73) 0.059% 0.256% 755 1.1 356 391020 2344714 2236039 1-2 17: 232 233 218 100 234 202 188 306 219 216 334 130 204 220 292 235 203 0.972 14.02 0.9 92 93 88 96 258 8.1 0.000 0.014 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1140 Aspartic acid 14.0352 1509.7 >3 scans 75% 73 m/z 0.057% 0.646% 755 1.3 488 406889 1.01% 5924758 5818838 9249666 1-0 18: 73 75 74 133 149 70 131 115 134 103 116 98 150 76 105 104 77 120 1.000 14.09 -3.4 100 99 98 99 349 25.6 0.276 -0.052 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0626 1511.5 3.5 scans 96% 156 m/z (232) 0.024% 0.988% 758 0.5 585 933289 9050298 8867816 1-1 14: 156 147 258 157 230 158 259 231 121 72 58 140 86 260 0.999 14.11 -3.2 97 97 97 100 273 25.3 0.187 -0.047 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN TAB_REP6-N1032 GABA 14.1962 1520.4 2.5 scans 93% 174 m/z 0.057% 0.461% 771 0.8 460 401885 0.463% 4225275 4048886 4240193 2-1 20: 174 304 73 147 175 305 75 176 86 59 216 306 246 143 172 133 100 148 130 74 0.992 14.19 0.6 100 99 98 99 304 145.2 10.002 0.008 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3646 1531.5 2.9 scans 79% TIC 1.0% 0.0347% 787 0.7 117 22648 0.0443% 318553 285143 405703 0-1 0.964 14.62 -17.1 95 94 92 95 409 9.3 0.627 -0.256 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6360 1549.5 2.9 scans 98% 292 m/z 0.023% 1.93% 813 0.5 881 1004026 17721377 17256113 1-1 20: 292 73 147 220 205 293 217 117 294 103 221 319 148 133 291 74 149 206 75 245 0.999 14.69 -3.7 100 100 100 100 409 71.3 0.657 -0.056 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1126 Pyrazine 15.0801 1579.0 2.6 scans 94% TIC 0.21% 0.212% 855 0.9 315 108103 1946437 1892112 1-1 0.993 15.13 -3.4 100 98 98 100 344 99.1 9.889 -0.052 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3842 1599.1 2.6 scans 52% 217 m/z 1.6% 0.00898% 884 1.4 68 14085 0.0137% 82301 82301 125466 0-0 4: 217 218 219 129 0.941 15.44 -3.9 89 88 84 92 393 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1120 Glutamic acid 15.5094 1607.8 2.6 scans 90% TIC 0.40% 0.0674% 896 1.0 173 56968 617512 591047 1-1 0.987 15.56 -3.5 99 99 97 99 363 18.8 1.185 -0.051 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1118 Phenylalanine 15.6072 1614.6 2.7 scans 81% 218 m/z (267) 0.84% 0.0459% 905 1.2 141 27571 420639 403439 1-1 11: 218 192 219 266 91 100 220 65 132 294 160 0.957 15.66 -3.6 91 90 92 98 294 9.0 0.405 -0.052 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN TAB_REP6-N1038 Xylose 15.8945 1634.5 5.9 scans 67% TIC 2.9% 0.0102% 932 1.5 70 7795 0.107% 93574 93098 979915 1-0 0.959 15.89 0.3 87 84 85 96 307 19.8 8.052 0.004 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN TAB_REP6-N1040 Xylose 16.0092 1642.5 2.8 scans 80% 73 m/z 0.56% 0.0587% 943 1.1 162 41412 538229 538229 0-0 20: 73 103 307 217 308 189 160 277 218 205 309 75 133 204 104 117 234 89 105 129 0.879 16.00 0.4 96 94 95 99 307 41.2 6.473 0.005 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN TAB_REP6-N1042 Ribose 16.1070 1649.3 2.9 scans 63% 73 m/z 2.6% 0.0117% 952 1.1 73 8854 0.174% 107559 107272 1593507 1-0 10: 73 103 217 307 308 160 189 218 89 309 0.955 16.10 0.3 95 96 87 95 307 22.8 9.618 0.004 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1112 Asparagine?? 16.2154 1656.8 2.6 scans 92% 73 m/z 0.23% 0.172% 963 0.9 284 100370 0.245% 1580090 1555461 2243731 0-2 20: 73 116 231 132 188 147 75 232 100 218 141 74 202 131 133 258 117 159 333 348 0.996 16.26 -3.2 95 93 97 97 348 24.5 0.744 -0.047 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1108 Ribose 16.3227 1664.3 2.8 scans 89% TIC 0.35% 0.106% 973 0.7 212 65043 0.309% 971039 897651 2829848 1-1 0.990 16.38 -3.6 96 94 96 98 467 5.8 0.074 -0.052 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6184 1684.8 3.0 scans 83% TIC 0.91% 0.0433% 1001 1.6 139 25381 0.0715% 397113 397113 654803 0-0 0.988 16.68 -4.0 99 98 96 99 497 3.9 0.080 -0.058 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0024 1712.1 3.2 scans 83% TIC 0.56% 0.0764% 1037 1.7 179 41317 0.593% 700113 700113 5430744 0-0 0.969 17.06 -4.4 94 94 93 94 510 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1098 UNKp_Cas 17.1min 1723 17.1035 1719.4 2.9 scans 20% 392 m/z (73) 1.3% 0.0276% 1047 0.9 108 17244 0.0778% 253423 252686 712499 0-1 19: 392 89 302 276 393 163 59 394 103 303 436 245 129 246 277 90 84 189 161 0.887 17.16 -4.0 85 86 78 92 436 13.6 1.592 -0.055 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1096 Putrescine 17.1929 1726.0 2.9 scans 56% 174 m/z 0.26% 0.0625% 1056 1.1 155 86705 572437 507563 2-2 16: 174 175 214 176 86 172 200 361 100 130 114 376 362 187 126 188 0.996 17.25 -4.0 97 96 97 98 458 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN TAB_REP6-N1044 Putrescine 17.1929 1726.0 2.9 scans 67% 174 m/z (73) 0.26% 0.0768% 1056 1.1 168 86326 703974 624194 2-2 16: 174 175 214 176 86 172 200 361 100 130 114 376 362 187 126 188 0.988 17.19 0.4 96 96 96 99 376 13.2 0.619 0.005 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3876 1740.2 3.4 scans 76% TIC 0.88% 0.0450% 1074 1.3 138 26319 0.426% 412458 412458 3901344 0-0 0.970 17.44 -4.1 98 97 96 98 511 9.5 0.475 -0.055 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN WTF2-N1010 Glycerol-P 17.4886 1747.6 2.5 scans 46% 357 m/z (171) 1.6% 0.0222% 1084 1.1 100 13721 203748 196166 3-1 20: 357 299 358 445 300 315 370 211 387 359 301 446 328 373 316 256 447 329 389 388 0.982 16.97 38.1 83 89 57 89 445 20.5 4.187 0.521 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5759 1753.9 2.8 scans 87% 217 m/z 0.12% 0.185% 1092 0.9 288 185164 0.315% 1703158 1512854 2884797 0-1 19: 217 73 218 147 219 305 74 232 451 191 75 129 148 220 149 452 169 203 189 0.995 17.63 -4.1 97 96 96 97 450 44.3 2.378 -0.056 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1088 Glutamine?? 17.6685 1760.7 2.8 scans 90% TIC 0.10% 0.502% 1101 1.1 430 219706 0.605% 4599820 4083822 5540642 1-3 0.990 17.73 -4.2 90 88 93 94 511 6.0 0.020 -0.058 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7074 1763.5 3.3 scans 27% 334 m/z (156 319) 2.4% 0.0279% 1104 1.2 97 9416 0.0430% 256369 236308 393798 0-3 11: 334 256 204 335 255 129 375 336 151 166 211 0.700 17.70 0.6 81 88 51 87 375 14.4 2.232 0.008 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1086 Fructofuranose 18.0788 1790.6 2.7 scans 94% 217 m/z 0.045% 0.900% 1140 0.9 616 509869 1.52% 8247741 7916999 13920289 1-1 20: 217 73 437 147 438 218 439 219 257 74 191 129 103 133 230 75 205 215 148 303 0.993 18.13 -4.0 95 92 94 97 437 183.3 8.885 -0.055 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1084 Shikimic acid 18.1378 1794.9 2.8 scans 35% 204 m/z 0.42% 0.0355% 1145 1.0 120 54699 0.0660% 326021 301034 604434 0-4 15: 204 255 357 372 254 462 447 282 373 358 463 267 167 356 283 0.982 18.20 -4.3 93 92 91 95 462 14.3 1.423 -0.059 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1082 Citric acid 18.2577 1803.9 2.7 scans 79% 273 m/z 0.15% 0.259% 1157 1.0 338 154164 0.552% 2372789 2321602 5055263 0-2 17: 273 147 363 375 347 274 465 275 376 149 211 364 257 348 466 221 305 0.887 18.32 -4.8 96 95 93 98 465 46.4 1.879 -0.063 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1080 Citrulline or Ornithine 18.3429 1810.4 2.7 scans 54% 157 m/z 1.4% 0.0254% 1165 1.0 109 15522 0.148% 232908 225641 1355397 0-1 16: 157 256 142 257 158 373 141 70 99 258 240 171 140 358 216 127 0.884 18.40 -4.4 88 90 86 93 416 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5965 1829.7 4.2 scans 77% 217 m/z 0.44% 0.0914% 1189 1.1 171 51853 0.103% 837847 813884 943283 0-3 18: 217 191 147 218 319 204 219 192 320 332 148 190 345 291 230 321 206 193 0.966 18.67 -5.6 92 92 93 93 319 31.5 3.412 -0.072 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1076 Pregnane?? 18.8196 1846.7 4.1 scans 98% 73 m/z 0.0091% 5.21% 1210 0.3 1246 2532248 47721113 46697664 1-0 20: 73 346 255 147 347 334 256 204 191 435 419 133 257 74 239 348 148 75 335 537 0.998 18.86 -3.0 100 100 99 100 537 97.0 0.608 -0.038 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1074 Adenine 18.8859 1851.8 3.1 scans 49% 264 m/z 0.53% 0.0327% 1216 1.1 113 43493 0.214% 299859 295730 1959830 0-1 16: 264 279 265 266 280 192 84 278 85 111 99 237 267 164 238 180 0.975 18.94 -4.1 95 95 90 96 415 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1072 Fructose 19.0132 1861.5 5.6 scans 98% 73 m/z 0.012% 6.89% 1229 0.4 1247 1797006 63156949 62730993 1-0 20: 73 307 217 103 147 277 218 133 205 74 189 117 104 219 89 148 75 191 204 278 0.999 19.03 -1.5 100 99 99 100 364 144.7 1.352 -0.020 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN TAB_REP6-N1052 Fructose 19.1395 1871.1 4.6 scans 96% 73 m/z 0.015% 4.95% 1241 0.4 1162 1531620 10.9% 45401800 44228688 99823128 1-0 20: 73 307 217 103 147 308 218 277 309 364 205 262 133 219 117 189 89 148 104 191 0.999 19.10 2.7 100 99 99 100 364 138.5 1.426 0.035 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1068 Galactopyranose 19.2552 1880.0 3.7 scans 84% 204 m/z 0.042% 0.714% 1252 1.1 523 552669 7.97% 6545887 6545887 72989939 0-0 19: 204 73 191 147 205 217 206 192 129 74 218 117 193 133 189 75 148 203 435 0.998 19.32 -4.5 98 97 96 99 435 39.1 0.559 -0.060 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1064 Mannose 19.3552 1887.6 5.8 scans 97% 322 m/z 0.0099% 8.86% 1261 0.3 1397 2331688 81196774 79007326 5-1 20: 322 376 464 466 358 202 336 389 391 467 257 449 420 554 140 555 379 171 421 481 0.988 19.45 -7.6 100 99 98 100 319 565.6 16.458 -0.100 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN BRA4_R~2-N1004 Galactose 19.3615 1888.1 5.4 scans 87% 319 m/z (322) 0.010% 7.99% 1262 0.2 1380 2284101 8.64% 73190756 71799242 79125856 0-1 20: 319 73 205 147 160 320 217 321 103 206 117 229 133 129 157 189 204 74 148 161 0.996 19.36 -0.0 95 96 98 99 364 66.8 0.235 0.000 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5246 1900.5 2.8 scans 59% 174 m/z (305) 0.043% 0.369% 1277 1.0 389 534638 0.376% 3386147 3036240 3443440 1-0 14: 174 175 338 86 176 339 100 179 340 264 250 164 165 341 1.000 19.49 2.7 87 87 84 92 338 92.9 5.732 0.035 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1062 Glucose 19.5719 1904.3 2.9 scans 93% TIC 0.024% 2.40% 1282 0.3 890 956506 22049532 21784575 0-1 0.982 19.66 -6.8 100 99 97 99 319 345.0 15.076 -0.084 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1060 Lysine 19.6277 1908.8 2.8 scans 49% 174 m/z 1.4% 0.0264% 1287 1.0 105 15597 0.376% 241980 241980 3443440 0-0 18: 174 317 156 128 230 318 175 434 100 176 200 88 86 329 146 228 115 154 0.965 19.69 -5.3 94 94 91 96 479 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7287 1916.9 2.7 scans 59% 73 m/z 2.2% 0.0125% 1297 0.9 85 10363 0.0450% 114477 108672 412114 1-0 13: 73 319 205 244 147 117 320 217 307 103 321 89 59 0.949 19.79 -5.0 88 88 86 90 434 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN N406_R~2-N1016 Galacturonic acid 19.7866 1921.6 2.6 scans 32% 333 m/z 2.7% 0.00709% 1302 1.1 58 8571 64995 62088 1-2 5: 333 160 334 335 364 0.885 19.79 -0.5 92 90 83 97 423 7.1 1.507 -0.006 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN BRA4_R~2-N1010 Tyrosine 19.8192 1924.2 2.7 scans 44% 218 m/z 1.2% 0.0150% 1305 1.0 82 18569 0.0158% 138250 132761 144698 1-2 7: 218 280 354 220 281 382 355 0.833 19.82 0.1 83 83 73 95 382 9.0 1.183 0.001 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1056 Ascorbic acid 19.9149 1931.9 2.9 scans 37% 332 m/z 4.4% 0.00842% 1314 0.9 58 5255 0.0122% 77147 69569 111729 4-0 4: 332 374 375 359 0.866 19.99 -5.8 87 88 74 89 449 5.6 0.938 -0.071 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.3105 1963.7 2.4 scans 99% 204 m/z 0.015% 1.75% 1352 0.8 916 1468685 16064190 16025592 1-0 20: 204 73 191 147 217 205 206 192 218 129 189 103 133 74 193 75 148 117 305 203 1.000 20.41 -8.3 97 95 98 98 217 203.9 4.989 -0.103 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1054 Gluconic acid 3 20.4789 1977.2 2.9 scans 77% 73 m/z 0.81% 0.0423% 1368 1.1 154 28378 0.189% 387873 387873 1730878 0-0 20: 73 147 319 292 205 204 217 334 359 103 320 346 335 435 293 305 117 294 74 189 0.985 20.55 -5.7 95 94 93 96 613 3.7 0.058 -0.070 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1052 Gluconic acid 2 20.5273 1981.1 2.7 scans 81% 73 m/z 0.52% 0.0674% 1372 1.0 191 44328 0.182% 618100 618100 1666771 0-0 20: 73 292 147 319 217 205 333 305 103 293 433 277 294 320 334 359 321 189 306 74 0.991 20.60 -5.6 93 93 95 93 613 5.6 0.086 -0.070 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1050 Gluconic acid 20.5799 1985.4 2.7 scans 81% 73 m/z 1.1% 0.0387% 1377 1.1 129 20215 0.185% 355103 341952 1694246 0-1 20: 73 333 217 147 292 305 319 205 334 423 435 74 218 306 433 359 103 335 219 148 0.981 20.65 -5.5 95 95 92 95 613 5.0 0.147 -0.068 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1048 Galactaric acid 21.0881 2027.4 3.1 scans 77% TIC 2.5% 0.0131% 1426 1.6 78 9248 0.0459% 120696 120696 420356 0-0 0.972 21.15 -5.3 93 93 90 93 627 6.3 0.650 -0.063 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN WTF2-N1038 C16:0 21.1460 2032.3 2.7 scans 78% 313 m/z 1.9% 0.0217% 1431 1.2 96 11909 0.0235% 198794 191703 215215 2-8 17: 313 117 132 75 314 129 145 328 55 315 57 201 269 131 118 56 69 0.951 20.62 44.0 85 91 89 94 328 11.5 1.425 0.529 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1042 myo-Inositol 21.7258 2081.0 >7 scans 46% 318 m/z (217) 0.015% 6.21% 1486 0.4 1029 1513679 7.23% 56917379 53969571 66212956 1-0 20: 318 306 307 192 368 308 205 193 267 143 369 321 419 394 231 343 316 420 177 220 0.954 21.77 -4.1 81 85 59 85 318 402.4 15.320 -0.048 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1040 myo-Inositol 21.7489 2082.9 8.1 scans 59% 217 m/z (368) 0.011% 8.96% 1489 0.1 1205 2024226 82122969 82089682 1-0 20: 217 305 73 147 318 191 306 265 319 204 218 307 129 133 320 291 367 148 192 221 0.956 21.78 -2.7 92 94 96 94 378 0.0 0.000 -0.032 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.7489 2082.9 8.1 scans 97% 217 m/z 0.010% 14.5% 1489 0.1 1540 2199006 133483015 133428911 1-0 20: 217 305 73 147 318 191 306 265 319 204 218 307 129 133 320 291 367 148 192 221 1.000 21.75 0.0 100 99 99 99 507 107.9 0.493 -0.000 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8710 2093.2 3.4 scans 80% 319 m/z (245) 0.78% 0.0664% 1500 1.1 152 29495 5.59% 608634 608634 51193696 0-0 15: 319 73 205 320 147 103 321 117 206 229 89 157 148 263 322 0.986 21.93 -4.9 94 96 95 96 656 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN GUANINE-N1026 Guanine 3TMS STD 22.0235 2106.2 2.6 scans 10% 352 m/z 14% 0.000889% 1515 0.9 20 1575 8146 8146 0-0 3: 352 367 353 0.838 22.05 -2.2 86 89 55 89 367 9.0 19.740 -0.025 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1982 2121.5 2.5 scans 94% 396 m/z 0.20% 0.188% 1531 1.0 295 111400 0.195% 1726290 1649413 1785827 1-4 20: 396 219 73 397 381 398 191 220 307 382 249 293 147 75 74 399 383 308 221 233 0.998 22.19 1.0 96 93 90 99 396 123.6 17.534 0.012 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6601 2161.8 3.3 scans 88% 204 m/z 0.47% 0.0601% 1575 1.5 152 48526 0.130% 550767 528495 1190551 5-0 20: 204 73 205 147 217 249 206 131 117 361 191 218 250 74 103 129 231 75 189 72 0.989 22.71 -4.7 96 94 96 100 518 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN WTF2-N1036 C18:0 23.3966 2227.4 2.9 scans 58% 341 m/z 2.2% 0.0215% 1645 1.5 91 10549 0.0250% 196952 177311 228952 1-4 11: 341 117 342 132 145 129 356 343 118 297 83 0.763 22.89 45.6 83 89 74 94 356 13.2 2.099 0.508 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6509 2343.7 3.2 scans 89% 73 m/z 0.29% 0.180% 1764 1.1 264 79069 0.223% 1655905 1596527 2042253 0-1 20: 73 331 147 191 217 307 421 262 205 319 103 332 259 305 333 422 376 192 308 218 0.977 24.65 0.1 98 97 96 99 466 17.0 0.417 0.001 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7435 2352.5 2.6 scans 94% 73 m/z 0.25% 0.202% 1773 1.1 303 91700 1856723 1757602 1-3 20: 73 217 204 147 292 375 305 103 219 205 218 451 129 293 376 233 74 363 75 191 0.997 24.81 -5.9 98 97 98 98 451 36.5 1.451 -0.062 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3533 2510.4 2.7 scans 89% 204 m/z 0.21% 0.123% 1926 1.2 247 107205 0.336% 1127150 1125468 3077117 1-0 20: 204 73 205 147 495 217 206 496 273 117 363 129 191 130 497 131 74 259 75 143 0.996 26.35 0.4 98 97 97 97 495 46.9 3.596 0.003 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5332 2529.0 2.7 scans 28% 512 m/z 1.7% 0.0215% 1943 1.1 97 13342 197181 196507 0-2 20: 512 455 513 456 247 514 483 57 457 497 349 248 263 484 515 423 381 179 511 353 0.892 26.57 -4.1 93 93 59 93 512 42.8 19.525 -0.040 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1014 Sucrose 27.4087 2620.0 11.2 scans 98% 437 m/z 0.0073% 15.2% 2026 2.0 1374 3187064 139764691 137412485 1-1 10: 437 438 453 440 365 433 100 481 393 350 0.996 27.49 -8.7 100 100 99 100 437 277.2 4.100 -0.081 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1020 Sucrose 27.4087 2620.0 11.2 scans 10% 437 m/z (361) 0.041% 1.58% 2026 2.0 440 557877 14525161 14280706 1-1 10: 437 438 453 440 365 433 100 481 393 350 0.808 27.46 -5.6 94 97 95 98 437 276.6 39.640 -0.052 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1018 Sucrose 27.4192 2621.2 11.2 scans 57% 361 m/z (217) 0.0071% 8.94% 2027 1.3 1072 3251759 9.81% 81880926 80550871 89840815 1-0 20: 361 362 363 319 364 331 272 320 345 450 347 139 366 232 167 142 335 295 374 125 0.925 27.47 -5.3 86 88 62 88 437 279.2 6.834 -0.051 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1010 Sucrose 27.4297 2622.3 >10 scans 94% 217 m/z 0.0071% 14.7% 2028 0.9 1378 3251759 16.5% 134733258 132654527 151108405 1-0 9: 217 169 218 219 305 143 158 334 292 1.000 27.58 -15.9 100 99 97 99 437 278.4 4.112 -0.149 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1008 Sucrose 27.4739 2627.0 10.7 scans 100% 73 m/z 0.0078% 14.6% 2033 0.2 1403 2956835 134427669 133496300 1-0 19: 73 103 74 75 131 104 59 55 69 89 81 105 87 115 54 58 67 53 70 1.000 27.59 -12.5 100 99 97 99 437 245.2 3.075 -0.117 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN LQC1-N1006 Trehalose 28.3830 2725.3 3.3 scans 39% 361 m/z 4.0% 0.00618% 2119 1.0 50 5778 0.0187% 56654 56654 171256 0-0 4: 361 362 363 191 0.878 28.47 -9.6 87 87 73 90 565 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel polar\N407_REP1.FIN GUA35_L1-N1020 Galactinol 30.1570 2926.2 3.0 scans 88% 204 m/z 0.58% 0.0528% 2288 0.9 141 39477 0.0843% 484365 431773 772027 0-10 20: 204 73 217 205 147 191 433 206 361 305 218 103 129 192 343 434 362 306 230 641 0.998 30.55 -46.2 90 95 96 97 641 11.9 0.709 -0.388 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN EXBLK5S-N1006 Contamination 6.5887 1061.2 2.6 scans 76% 207 m/z 0.65% 0.0485% 48 1.4 123 38209 0.0822% 432468 324970 731612 13-5 15: 207 73 295 208 209 191 296 297 189 193 279 210 177 247 265 0.964 6.63 -2.1 99 99 95 99 295 37.7 9.398 -0.036 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1194 Alanine 7.3716 1107.6 5.6 scans 89% 116 m/z 0.29% 0.125% 122 0.4 171 85892 0.191% 1120567 1120567 1699974 0-0 18: 116 73 147 190 59 74 148 100 103 218 86 115 149 66 60 132 87 102 0.995 7.40 -1.9 98 97 98 98 283 3.7 0.047 -0.032 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN A-KETO~2-N1006 Contamination?? 7.8693 1137.1 2.7 scans 76% 156 m/z 1.9% 0.0145% 169 1.4 76 12647 0.0196% 129162 128076 174448 0-1 8: 156 75 55 157 54 158 76 61 0.960 7.96 -5.1 99 98 96 98 156 40.8 28.498 -0.088 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1192 Contamination 7.9513 1141.9 2.6 scans 79% 147 m/z 2.2% 0.0153% 177 1.4 83 11065 0.0242% 136634 134602 215389 2-0 18: 147 73 133 220 235 152 146 59 148 86 160 72 149 100 74 103 131 134 0.990 7.99 -2.3 97 96 95 96 235 15.7 3.537 -0.038 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1188 Contamination 8.3722 1166.9 3.7 scans 85% 281 m/z 1.5% 0.0335% 217 1.4 96 16208 0.0434% 298913 251076 386277 7-2 17: 281 147 369 73 282 283 370 265 371 249 159 207 131 148 284 59 74 0.984 8.41 -2.5 98 97 80 99 369 26.9 7.904 -0.043 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1186 Phosphate 8.5174 1175.5 2.6 scans 90% TIC 0.32% 0.0694% 231 1.2 168 76083 617710 574604 1-8 0.986 8.56 -2.5 100 98 97 100 299 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1184 Valine 9.1466 1212.6 3.0 scans 69% 144 m/z 2.3% 0.00861% 291 0.9 57 10528 0.0106% 76672 69370 94344 6-2 5: 144 73 218 145 219 0.948 9.19 -2.4 96 95 89 97 218 17.4 9.274 -0.041 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1180 Benzoic acid 9.7159 1245.9 2.9 scans 77% 179 m/z 2.9% 0.0119% 345 1.3 64 8532 106041 97617 1-7 7: 179 105 135 77 180 194 136 0.921 9.76 -2.6 95 94 89 97 194 9.6 2.238 -0.043 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1178 Ethanolamine 9.9884 1261.9 3.4 scans 86% TIC 1.0% 0.0265% 371 1.0 94 24840 3.48% 236561 216920 30973351 4-0 0.985 10.03 -2.6 99 98 96 98 262 9.4 1.013 -0.046 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN VEN77_S6-N1002 Glycerol 10.0947 1268.1 3.7 scans 98% 299 m/z 0.0073% 3.77% 381 0.4 1068 3395198 33566636 32739083 1-1 20: 299 300 314 73 301 283 133 315 211 207 193 147 191 316 302 225 298 135 74 284 0.999 10.09 0.1 99 98 95 99 299 668.8 39.442 0.001 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2378 1276.5 2.6 scans 90% 73 m/z 0.50% 0.0463% 395 1.2 139 49276 412743 378852 1-2 19: 73 198 77 211 199 70 74 239 381 289 72 212 143 170 92 63 56 142 104 0.992 10.24 -0.1 99 98 97 98 381 15.0 1.159 -0.002 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1176 Isoleucine 10.4314 1287.8 2.8 scans 23% 158 m/z 5.9% 0.00192% 413 1.2 28 4229 0.00490% 17085 15297 43612 1-0 2: 158 159 0.980 10.46 -1.6 81 83 57 82 260 0.0 0.000 -0.028 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN TAB_REP6-N1012 Proline 10.5271 1293.4 3.2 scans 96% TIC 0.0087% 2.27% 422 0.5 880 2870369 2.39% 20233076 18810051 21271928 2-0 0.999 10.53 -0.4 99 97 97 100 216 163.7 3.478 -0.006 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5818 1296.6 3.6 scans 87% TIC 0.18% 0.112% 427 0.9 221 134043 3.82% 1004579 1004579 33999483 0-0 0.995 10.60 -1.2 98 97 97 98 245 50.1 5.163 -0.020 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1170 Glycine 10.6439 1300.2 2.8 scans 81% 174 m/z 0.22% 0.0972% 433 1.2 212 113750 1.02% 865697 865697 9078396 0-0 18: 174 73 248 175 86 133 276 176 100 59 249 250 74 130 277 158 131 117 0.941 10.69 -2.6 99 99 91 98 276 33.3 2.455 -0.043 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7428 1306.2 3.4 scans 96% TIC 0.018% 1.59% 443 0.6 696 1367764 4.14% 14231499 13634390 36847607 1-2 0.994 10.76 -0.9 99 97 96 99 251 167.5 5.814 -0.015 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1168 Glyceric acid 11.0090 1322.2 2.5 scans 95% 73 m/z 0.11% 0.309% 468 1.0 373 209032 2752252 2555970 1-2 20: 73 147 292 189 133 103 205 293 117 190 102 148 307 75 294 74 59 149 191 101 1.000 11.05 -2.7 100 99 99 100 292 113.4 9.226 -0.045 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0690 1325.8 2.7 scans 40% 184 m/z 9.0% 0.00401% 473 0.8 38 2771 0.00784% 35713 32759 69779 0-2 5: 184 285 134 174 77 0.950 11.06 0.3 88 89 65 89 285 15.4 16.327 0.006 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN TAB_REP6-N1018 Uracil 11.1269 1329.3 2.9 scans 56% 241 m/z 9.7% 0.00353% 479 1.5 36 2576 31500 31500 1-0 5: 241 255 99 256 242 0.913 11.15 -1.3 96 97 95 99 256 11.8 10.544 -0.021 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1164 Itaconic acid 11.2089 1334.3 2.7 scans 74% 147 m/z 2.9% 0.00951% 487 0.9 61 8356 0.0100% 84649 69938 89004 3-3 7: 147 73 259 184 148 215 166 0.985 11.25 -2.6 83 79 84 90 259 12.2 4.034 -0.043 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1162 Fumaric acid 11.3489 1342.7 2.7 scans 92% 245 m/z 0.36% 0.0706% 500 1.3 173 67857 628693 586274 2-2 20: 245 147 73 246 75 143 247 83 240 133 148 115 149 84 53 74 155 127 157 59 0.994 11.39 -2.6 98 97 97 98 245 94.5 29.970 -0.044 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4467 1348.6 2.9 scans 79% 57 m/z 1.4% 0.0205% 509 1.1 87 17403 0.0573% 183302 178182 509992 1-0 15: 57 97 115 145 127 69 55 56 111 59 129 109 128 72 71 0.981 11.45 0.1 93 91 95 97 145 25.6 8.626 0.001 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1160 Serine 11.5151 1352.7 2.6 scans 98% 204 m/z 0.029% 1.11% 516 0.7 690 851262 9956187 9631661 1-1 20: 204 218 73 205 147 100 219 188 206 278 75 133 306 220 74 116 59 216 189 148 1.000 11.56 -2.5 100 99 100 100 306 73.7 1.142 -0.042 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7224 1365.2 >3 scans 72% TIC 1.0% 0.0358% 536 2.0 117 24289 0.142% 318930 318930 1263855 0-0 0.985 11.79 -3.7 84 79 90 94 262 12.8 1.194 -0.063 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN TAB_REP6-N1024 Threonine 11.9139 1376.7 2.5 scans 96% 73 m/z 0.17% 0.225% 554 1.0 320 143943 2006004 1906904 1-1 20: 73 218 219 117 291 292 147 101 220 57 100 75 74 203 293 128 133 132 320 221 0.999 11.92 -0.4 100 99 99 100 320 30.3 0.895 -0.007 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN N406_R~1-N1016 b-Alanine 12.6010 1418.9 2.7 scans 33% 248 m/z 11% 0.00268% 619 1.1 34 2183 23882 23882 0-0 4: 248 174 290 249 0.803 12.60 -0.1 89 93 56 93 304 0.0 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1150 Citrulline 13.0261 1445.7 2.9 scans 86% TIC 1.5% 0.0482% 660 0.9 127 15750 0.0514% 429514 393060 457480 1-0 0.983 13.08 -3.1 96 95 95 97 258 13.5 1.130 -0.050 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1148 Glutamine?? 13.3039 1463.2 2.9 scans 94% 155 m/z 0.14% 0.177% 686 0.7 264 176229 1581057 1512996 1-1 20: 155 73 147 156 229 139 59 75 74 100 148 157 131 84 230 257 133 103 149 132 0.996 13.35 -2.7 99 98 99 99 257 21.0 0.630 -0.043 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1146 Malic acid 13.5448 1478.3 2.4 scans 99% 73 m/z 0.036% 0.879% 709 0.7 627 683578 7826179 7823532 1-0 20: 73 147 233 245 133 190 189 75 148 175 335 191 74 149 55 101 234 217 265 59 1.000 13.62 -4.5 100 99 99 99 350 16.2 0.067 -0.072 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1144 Contamination Parabanica acid 13.7647 1492.2 2.7 scans 97% 243 m/z 0.13% 0.397% 730 0.6 399 184689 3541227 3539931 1-0 20: 243 115 100 73 128 116 244 158 59 201 72 245 75 101 131 147 70 142 117 129 1.000 13.81 -2.6 100 99 99 100 243 155.5 15.218 -0.041 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1140 Aspartic acid 14.0341 1509.6 >3 scans 75% TIC 0.052% 0.786% 755 1.4 521 476474 1.33% 6999638 6764476 11837516 1-0 1.000 14.09 -3.5 100 99 98 99 349 28.6 0.302 -0.053 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0678 1511.9 3.9 scans 97% 156 m/z (232) 0.023% 1.27% 759 0.3 610 1048078 11319819 11319032 0-1 14: 156 147 258 230 157 158 259 231 140 58 72 121 155 260 0.999 14.11 -2.8 96 97 97 99 273 26.6 0.191 -0.042 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1134 GABA 14.1898 1519.9 2.8 scans 92% TIC 0.11% 0.290% 770 1.1 339 222534 1.98% 2588365 2442206 17622769 0-1 0.998 14.24 -3.5 99 97 97 99 304 103.7 9.345 -0.052 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3624 1531.4 2.8 scans 63% 73 m/z 1.8% 0.0205% 787 0.8 86 13222 0.0222% 182798 156926 197589 3-1 13: 73 292 147 220 205 293 217 117 294 103 148 74 149 0.939 14.62 -17.2 90 89 87 93 409 6.6 0.583 -0.259 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6328 1549.3 2.8 scans 97% 73 m/z 0.023% 1.95% 812 0.6 879 1058501 17417567 17106879 1-0 20: 73 292 147 220 205 293 217 117 103 294 221 148 133 319 74 291 75 149 102 206 0.999 14.69 -3.9 100 100 99 100 409 69.3 0.623 -0.059 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1126 Pyrazine 15.0778 1578.8 2.7 scans 94% TIC 0.24% 0.209% 855 1.0 293 100287 1862781 1858119 0-1 0.982 15.13 -3.6 100 98 98 100 344 90.2 9.504 -0.054 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3841 1599.1 3.9 scans 64% TIC 1.7% 0.0122% 884 1.8 73 14051 0.147% 109447 109447 1308357 0-0 0.971 15.44 -3.9 87 85 84 92 393 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1120 Glutamic acid 15.5082 1607.7 2.6 scans 90% 246 m/z 0.43% 0.0657% 895 1.2 170 58179 584985 584136 1-0 20: 246 73 247 128 147 248 75 348 230 156 363 84 74 100 56 133 218 149 129 158 0.985 15.56 -3.6 99 99 97 99 363 17.0 1.003 -0.052 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1118 Phenylalanine 15.6061 1614.5 2.7 scans 79% 218 m/z (328) 0.58% 0.0828% 905 1.1 178 43147 737116 655102 1-2 8: 218 192 91 100 266 132 65 294 0.991 15.66 -3.7 83 81 85 91 294 9.7 0.295 -0.053 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN TAB_REP6-N1038 Xylose 15.8933 1634.5 4.9 scans 65% TIC 2.3% 0.0168% 932 2.1 74 10571 150117 150117 0-0 0.906 15.89 0.3 90 89 88 97 307 18.4 6.191 0.003 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN TAB_REP6-N1040 Xylose 16.0080 1642.4 2.7 scans 23% 103 m/z (271) 0.92% 0.0453% 943 1.1 136 27168 403408 367854 1-1 20: 103 217 307 308 189 277 160 218 309 104 205 89 234 204 105 233 219 191 278 201 0.664 16.00 0.3 87 92 53 93 307 50.2 13.632 0.004 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN TAB_REP6-N1042 Ribose 16.1048 1649.2 3.5 scans 67% TIC 2.5% 0.0114% 952 0.9 76 9694 0.364% 101724 101724 3239741 0-0 0.970 16.10 0.2 94 94 91 96 307 22.1 8.404 0.002 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1112 Asparagine?? 16.2090 1656.4 2.7 scans 90% 73 m/z 0.39% 0.107% 962 1.0 219 63072 0.298% 953799 892930 2652316 2-3 20: 73 116 231 132 188 147 75 232 218 100 74 141 131 202 133 117 258 333 233 159 0.995 16.26 -3.6 96 94 97 97 348 17.9 0.669 -0.053 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1108 Ribose 16.3226 1664.3 2.7 scans 90% TIC 0.32% 0.128% 973 0.6 224 77126 0.294% 1147520 1135479 2616714 1-1 0.992 16.38 -3.6 96 94 96 98 467 5.9 0.070 -0.052 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6183 1684.8 3.0 scans 82% TIC 0.94% 0.0437% 1001 1.5 142 26638 0.103% 388955 388955 916740 0-0 0.989 16.68 -4.0 99 98 97 98 497 4.0 0.079 -0.058 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0034 1712.1 3.0 scans 82% 73 m/z 0.60% 0.0811% 1038 1.4 176 41478 0.301% 722700 722659 2679017 0-1 20: 73 217 147 319 205 103 307 218 204 189 129 320 308 277 206 219 148 321 332 306 0.972 17.06 -4.4 94 93 92 93 510 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1098 UNKp_Cas 17.1min 1723 17.1033 1719.4 2.9 scans 57% 392 m/z (227) 0.39% 0.0764% 1047 0.9 174 64227 0.189% 680539 668723 1682173 0-3 20: 392 89 302 276 393 163 59 133 394 172 103 303 277 129 84 304 158 200 189 145 0.913 17.16 -4.0 83 79 48 98 436 12.9 0.549 -0.055 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1096 Putrescine 17.1917 1725.9 2.9 scans 70% 174 m/z 0.25% 0.0780% 1055 1.0 167 100170 694779 628984 2-2 18: 174 175 214 176 200 86 172 361 130 100 376 146 215 362 114 116 201 177 0.995 17.25 -4.1 97 95 95 98 458 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3853 1740.0 3.4 scans 75% TIC 1.2% 0.0361% 1074 1.6 117 19893 0.454% 322051 322051 4040776 0-0 0.969 17.44 -4.3 97 97 95 98 511 7.7 0.425 -0.058 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN WTF2-N1010 Glycerol-P 17.4874 1747.5 2.6 scans 45% 357 m/z (171) 1.8% 0.0234% 1084 1.0 97 13402 208420 205919 0-1 19: 357 299 358 445 315 370 211 300 359 301 387 446 328 447 389 373 316 329 285 0.974 16.97 38.0 82 89 57 90 445 20.2 4.305 0.519 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5747 1753.8 2.8 scans 89% 217 m/z 0.11% 0.221% 1092 1.0 303 211000 0.337% 1974259 1835631 2999431 0-1 19: 217 73 218 147 219 450 74 75 305 129 451 191 232 257 148 169 215 244 149 0.995 17.63 -4.2 97 96 96 98 450 40.1 1.744 -0.057 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1088 Glutamine?? 17.6610 1760.1 3.1 scans 88% TIC 0.15% 0.390% 1100 1.8 354 164157 1.04% 3472907 3472907 9256404 0-0 0.972 17.73 -4.8 90 88 93 93 511 5.2 0.021 -0.065 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7063 1763.4 3.1 scans 29% 334 m/z (319 156) 2.1% 0.0310% 1104 1.0 103 11431 0.0343% 276276 259606 305283 0-3 9: 334 256 335 375 336 166 211 151 241 0.659 17.70 0.5 83 90 55 89 375 15.7 2.345 0.007 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1086 Fructofuranose 18.0735 1790.3 2.9 scans 93% TIC 0.090% 0.502% 1139 1.4 425 276085 1.04% 4469825 4115207 9256404 2-0 0.992 18.13 -4.3 96 93 95 98 437 122.8 8.356 -0.061 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1084 Shikimic acid 18.1345 1794.7 2.9 scans 37% 204 m/z 0.46% 0.0366% 1145 0.9 118 54168 0.0601% 326602 301520 534913 0-4 16: 204 206 255 357 372 254 462 358 256 447 282 356 267 373 359 239 0.969 18.20 -4.5 95 95 93 97 462 13.6 1.333 -0.062 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1082 Citric acid 18.2523 1803.5 3.3 scans 80% TIC 0.26% 0.180% 1156 1.8 256 96174 0.922% 1610907 1610907 8206158 0-0 0.933 18.32 -5.2 87 83 79 95 465 29.7 1.338 -0.069 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1080 Citrulline or Ornithine 18.3397 1810.1 2.8 scans 64% 157 m/z 1.5% 0.0330% 1165 1.1 115 16248 0.0972% 294469 291392 865118 0-2 13: 157 256 142 158 257 141 258 70 99 373 127 68 140 0.967 18.40 -4.7 89 87 87 95 416 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5975 1829.8 4.2 scans 80% 217 m/z 0.56% 0.105% 1189 1.1 171 44602 0.106% 942563 856868 943441 2-8 19: 217 218 191 319 219 205 148 192 320 321 230 306 149 190 201 220 203 307 113 0.928 18.67 -5.5 91 91 92 93 319 27.9 2.664 -0.072 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1076 Pregnane?? 18.8184 1846.6 4.5 scans 100% 538 m/z 0.0092% 6.03% 1210 0.5 1266 2718844 53734456 52709985 1-0 20: 538 539 463 337 307 350 540 128 211 439 423 176 379 450 112 272 126 408 212 78 0.998 18.86 -3.1 100 100 99 100 537 94.0 0.555 -0.040 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1074 Adenine 18.8837 1851.6 3.0 scans 54% 264 m/z 0.56% 0.0304% 1216 1.2 113 44312 0.212% 270695 270695 1886882 0-0 16: 264 279 266 192 280 84 237 165 278 124 85 99 281 164 176 238 0.987 18.94 -4.3 96 95 91 96 415 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1072 Fructose 18.9994 1860.4 5.6 scans 98% TIC 0.015% 6.37% 1227 0.8 1154 1605884 56734013 56341437 1-0 1.000 19.03 -2.6 100 98 99 100 364 134.4 1.362 -0.034 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN TAB_REP6-N1050 Fructose 19.0131 1861.5 5.9 scans 86% 288 m/z 0.019% 2.15% 1229 3.0 1025 1268516 5.28% 19142181 18766007 46994049 0-1 20: 288 101 293 303 235 158 275 126 161 289 257 390 85 363 242 198 344 154 316 362 1.000 18.98 2.5 100 99 99 99 364 120.7 1.392 0.033 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN TAB_REP6-N1052 Fructose 19.1341 1870.7 5.1 scans 96% 73 m/z 0.019% 4.48% 1240 0.4 1025 1262409 18.1% 39934138 38827240 161097026 2-4 20: 73 307 217 103 147 308 218 277 364 309 205 74 133 262 117 89 219 189 104 148 1.000 19.10 2.3 100 99 100 100 364 119.0 1.353 0.030 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1070 Fructose 19.1341 1870.7 5.1 scans 90% 73 m/z (306) 0.018% 4.29% 1240 0.4 990 1335224 17.3% 38230710 37171028 153976715 2-4 20: 73 307 217 103 147 308 218 277 364 309 205 74 133 262 117 89 219 189 104 148 0.997 19.19 -4.6 96 97 98 98 554 56.3 0.324 -0.060 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1068 Galactopyranose 19.2509 1879.6 3.4 scans 83% 204 m/z 0.050% 0.657% 1251 1.4 481 495770 11.9% 5849655 5849655 105914619 0-0 19: 204 73 191 147 205 217 206 192 129 218 193 189 133 117 74 435 203 75 148 0.997 19.32 -4.9 98 97 96 99 435 36.3 0.573 -0.064 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1064 Mannose 19.3656 1888.4 6.8 scans 96% 322 m/z 0.010% 10.8% 1262 0.2 1383 2419734 11.0% 96458782 96458782 97904270 0-0 20: 322 365 343 464 248 156 420 310 393 80 381 392 284 469 180 556 481 351 482 338 0.990 19.45 -6.8 100 99 98 99 319 564.6 16.733 -0.089 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN BRA4_R~2-N1004 Galactose 19.3708 1888.8 6.5 scans 80% 319 m/z (322) 0.010% 9.31% 1263 0.2 1314 2391688 9.59% 82944402 81645241 85354722 0-1 19: 319 73 205 147 160 320 217 103 321 206 117 229 133 129 157 189 148 74 161 0.973 19.36 0.7 90 94 92 94 364 33.9 0.000 0.010 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5329 1901.2 2.8 scans 75% 174 m/z (319) 0.018% 1.17% 1278 0.8 669 1360691 1.21% 10421874 9694143 10769470 1-0 20: 174 175 338 86 176 339 100 59 179 340 264 173 250 130 177 162 87 172 164 91 0.986 19.49 3.4 89 88 91 96 338 147.7 4.928 0.043 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1062 Glucose 19.5749 1904.6 2.9 scans 89% 319 m/z 0.021% 2.48% 1282 0.5 966 1162421 22147581 22018067 2-0 18: 319 205 147 320 160 103 217 321 206 133 117 229 129 157 148 204 189 89 0.992 19.66 -6.5 99 98 96 98 319 391.3 16.433 -0.081 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1060 Lysine 19.6286 1908.9 3.0 scans 55% 317 m/z 2.2% 0.0255% 1287 1.2 99 11341 1.00% 227376 214916 8900388 0-2 17: 317 174 156 128 318 230 175 434 200 228 176 154 100 130 115 114 186 0.962 19.69 -5.2 92 91 78 95 479 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7296 1917.0 2.7 scans 64% TIC 1.6% 0.0159% 1297 1.0 96 15155 0.0718% 142124 141764 639048 1-0 0.952 19.79 -4.9 90 90 87 90 434 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7864 1921.6 2.7 scans 45% 333 m/z (218) 3.4% 0.00931% 1302 1.1 63 7262 0.0197% 82919 82754 175338 1-0 5: 333 160 334 335 364 0.900 19.79 -0.6 82 86 69 85 333 30.9 24.416 -0.008 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN N406_R~2-N1016 Galacturonic acid 19.7864 1921.6 2.7 scans 27% 333 m/z 3.4% 0.00548% 1302 1.1 49 7262 0.0116% 48816 48718 103245 1-0 5: 333 160 334 335 364 0.768 19.79 -0.5 93 94 88 96 423 6.4 1.717 -0.007 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN BRA4_R~2-N1010 Tyrosine 19.8180 1924.1 2.9 scans 42% 218 m/z 1.5% 0.0136% 1305 1.0 73 16254 0.0141% 121651 113023 125495 1-1 6: 218 280 220 354 281 382 0.857 19.82 0.0 85 87 79 94 382 7.7 1.120 0.000 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1056 Ascorbic acid 19.9138 1931.8 6.2 scans 66% TIC 1.9% 0.0265% 1314 0.4 89 12718 0.116% 236578 236578 1032445 0-0 0.960 19.99 -5.9 95 95 89 95 449 9.2 1.068 -0.072 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.3073 1963.4 2.7 scans 97% 204 m/z 0.023% 1.47% 1352 0.7 775 1072694 13166367 12691435 1-1 20: 204 73 191 147 217 205 206 192 218 129 189 103 133 74 193 435 305 148 75 117 1.000 20.41 -8.6 97 95 98 98 217 172.5 4.987 -0.107 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1054 Gluconic acid 3 20.4756 1977.0 3.0 scans 67% 73 m/z 1.0% 0.0379% 1368 1.1 134 24409 0.131% 337584 337584 1165951 0-0 20: 73 333 292 147 319 205 423 320 293 359 103 305 117 294 435 189 433 148 206 321 0.931 20.55 -5.9 94 94 87 95 613 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1052 Gluconic acid 2 20.5251 1981.0 2.7 scans 83% 73 m/z 0.62% 0.0617% 1372 1.0 176 40264 0.159% 549700 549700 1415162 0-0 20: 73 292 147 319 205 333 305 217 293 103 320 294 359 433 435 277 334 331 321 189 0.987 20.60 -5.7 91 90 94 90 613 5.3 0.091 -0.072 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1048 Galactaric acid 21.0849 2027.1 3.0 scans 69% 333 m/z 3.8% 0.00944% 1425 1.4 62 6496 0.0139% 84101 84101 123715 0-0 8: 333 73 292 334 147 335 305 293 0.947 21.15 -5.6 90 90 84 90 627 5.3 0.729 -0.066 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN WTF2-N1038 C16:0 21.1459 2032.3 2.9 scans 78% 313 m/z 2.1% 0.0254% 1431 1.1 99 11749 0.0255% 226928 212291 226960 2-13 18: 313 117 75 132 314 129 145 55 328 57 131 315 245 269 118 69 201 133 0.926 20.62 44.0 87 93 90 95 328 11.4 1.334 0.529 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1044 myo-Inositol 21.7235 2080.8 8.6 scans 45% 306 m/z (73) 0.011% 7.10% 1486 0.1 989 2114764 63279468 62152174 1-1 12: 306 319 433 367 321 435 231 331 194 245 396 421 0.883 21.77 -3.6 90 89 85 98 612 38.7 0.154 -0.043 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN INOSIT~1-N1022 myo-Inositol 21.7235 2080.8 8.6 scans 14% 306 m/z (73 305) 0.081% 2.26% 1486 0.1 558 305996 20129393 19770797 1-1 12: 306 319 433 367 321 435 231 331 194 245 396 421 0.579 21.74 -1.5 84 86 71 96 507 109.4 3.845 -0.017 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.7341 2081.7 8.5 scans 96% 318 m/z 0.011% 15.2% 1487 0.1 1461 2114764 135685618 135368542 1-0 20: 318 219 266 206 222 243 223 344 322 208 279 159 380 289 155 244 156 153 178 228 1.000 21.75 -1.2 100 99 99 99 507 108.8 0.556 -0.015 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1040 myo-Inositol 21.7341 2081.7 8.5 scans 63% 318 m/z (305) 0.012% 10.0% 1487 0.1 1183 2012970 89222183 89013685 1-0 20: 318 219 266 206 222 243 223 344 322 208 279 159 380 289 155 244 156 153 178 228 0.953 21.78 -3.9 92 92 96 96 378 0.0 0.000 -0.047 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8687 2093.0 3.2 scans 82% 319 m/z 0.77% 0.0801% 1500 1.5 156 32184 4.52% 713246 664416 40229754 3-1 15: 319 205 147 320 321 262 103 89 229 117 376 157 133 148 291 0.983 21.93 -5.1 97 97 95 97 656 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1960 2121.3 2.6 scans 92% 396 m/z 0.29% 0.154% 1531 1.0 261 86111 0.163% 1378076 1275110 1450763 1-4 20: 396 73 219 397 381 398 220 307 191 382 147 249 205 293 75 74 383 399 221 308 0.997 22.19 0.8 95 93 90 99 396 106.5 16.701 0.010 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6621 2162.0 3.7 scans 86% 204 m/z 0.81% 0.0431% 1575 1.4 121 30681 0.0998% 383870 366413 888259 2-0 18: 204 73 205 147 217 206 131 361 117 191 250 75 74 103 129 133 148 218 0.989 22.71 -4.5 97 95 96 99 518 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN WTF2-N1036 C18:0 23.3955 2227.3 3.3 scans 77% TIC 2.4% 0.0291% 1645 1.3 99 10224 0.0896% 259412 239254 797475 3-0 0.953 22.89 45.5 82 86 89 94 356 12.1 1.474 0.506 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1183 2293.4 2.8 scans 74% TIC 2.8% 0.00657% 1714 1.5 59 8898 0.0898% 58527 58527 799255 0-0 0.950 24.01 9.9 89 89 83 91 490 0.0 0.000 0.108 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6476 2343.4 3.2 scans 89% 73 m/z 0.42% 0.131% 1764 1.2 221 58756 0.168% 1166422 1131230 1495265 0-1 20: 73 331 147 191 217 421 262 307 103 319 205 332 259 422 305 263 333 308 376 74 0.975 24.65 -0.2 98 97 96 99 466 14.0 0.403 -0.002 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7412 2352.3 2.7 scans 94% 73 m/z 0.31% 0.171% 1773 1.2 271 78406 0.175% 1528052 1450436 1557568 1-0 20: 73 217 204 147 292 375 305 103 219 451 218 205 129 293 376 233 363 74 306 148 0.998 24.81 -6.1 98 97 98 98 451 33.0 1.479 -0.064 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3595 2511.0 2.5 scans 97% 204 m/z 0.044% 0.711% 1927 0.8 560 564787 0.864% 6331581 6153975 7689935 1-2 20: 204 73 205 495 147 217 206 496 117 363 129 273 191 497 130 103 74 131 319 75 0.999 26.35 1.0 100 99 99 99 495 108.2 3.753 0.010 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5310 2528.7 2.8 scans 33% 512 m/z 1.9% 0.0230% 1943 1.1 96 13104 204862 198597 1-1 20: 512 455 513 247 456 57 483 514 457 349 248 263 497 409 423 179 498 235 249 383 0.902 26.57 -4.4 93 94 61 94 512 41.5 18.834 -0.042 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1020 Sucrose 27.4086 2620.0 12.4 scans 15% 437 m/z (362) 0.047% 2.49% 2026 1.9 528 532703 2.70% 22174299 21659329 24031048 1-0 12: 437 451 438 439 452 359 453 334 464 465 287 54 0.733 27.46 -5.6 95 96 64 99 437 264.9 25.246 -0.052 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1010 Sucrose 27.4170 2620.9 12.2 scans 99% 362 m/z 0.0078% 18.3% 2027 1.7 1379 3173170 163604557 159626936 1-1 18: 362 363 331 365 321 291 289 346 173 322 377 303 373 405 265 114 406 466 0.998 27.58 -17.3 100 99 98 99 437 268.5 3.813 -0.162 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1014 Sucrose 27.4201 2621.3 12.3 scans 86% 361 m/z 0.0079% 15.3% 2028 1.3 1296 3153563 16.5% 136781954 133877206 146856404 1-0 15: 361 331 332 345 291 258 322 377 323 295 348 260 294 265 481 1.000 27.49 -7.4 100 99 99 100 437 270.4 4.391 -0.070 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1008 Sucrose 27.4549 2625.0 >10 scans 96% 129 m/z 0.0083% 15.1% 2031 0.4 1334 2990034 17.4% 134661515 131170910 154866754 1-0 5: 129 133 293 192 269 1.000 27.59 -14.5 100 99 98 99 437 251.2 3.567 -0.136 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1016 Sucrose 27.4622 2625.7 >4 scans 55% 271 m/z (361) 0.014% 3.88% 2032 6.4 1002 1683602 10.3% 34596269 34596269 91673998 0-0 4: 271 230 347 260 0.966 27.48 -1.6 89 91 95 94 437 15.5 0.000 -0.015 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1018 Sucrose 27.4622 2625.7 >4 scans 55% 271 m/z (73) 0.0086% 3.88% 2032 6.4 1002 2913183 10.3% 34591703 34591703 91673998 0-0 4: 271 230 347 260 0.915 27.47 -0.8 93 96 65 95 437 247.5 6.144 -0.008 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN LQC1-N1006 Trehalose 28.3840 2725.4 3.3 scans 55% 361 m/z 3.1% 0.0110% 2119 0.9 63 8032 0.0510% 98168 90394 453920 0-3 7: 361 362 363 191 271 169 243 0.952 28.47 -9.5 93 93 85 94 565 0.0 0.000 -0.084 G:\GCMS data\Nicotiana Panel polar\N407_REP2.FIN GUA35_L1-N1020 Galactinol 30.1527 2925.7 2.8 scans 88% 204 m/z 1.0% 0.0329% 2287 1.1 110 24733 0.0521% 293516 254539 463710 0-9 20: 204 73 205 217 147 191 206 433 305 129 361 218 343 103 230 362 74 306 641 291 0.998 30.55 -46.7 89 95 94 96 641 9.2 0.709 -0.392 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN EXBLK5S-N1006 Contamination 6.5963 1061.6 2.7 scans 61% 207 m/z 1.1% 0.0305% 48 2.5 84 21125 0.0480% 302434 170941 474647 3-16 11: 207 295 208 209 296 297 193 192 177 189 247 0.964 6.63 -1.7 97 97 91 97 295 25.2 9.045 -0.029 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1194 Alanine 7.4097 1109.8 8.6 scans 83% TIC 0.36% 0.122% 126 0.3 141 69149 0.222% 1207739 1207739 2195242 0-0 0.986 7.40 0.3 97 96 96 97 283 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN A-KETO~2-N1006 Contamination?? 7.9052 1139.2 3.3 scans 67% 156 m/z 2.9% 0.00923% 173 1.4 57 8326 0.0143% 91272 84476 141405 20-1 5: 156 75 55 157 54 0.920 7.96 -3.0 96 96 91 98 156 31.2 30.480 -0.052 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1192 Contamination 7.9863 1144.0 2.9 scans 69% 73 m/z 3.4% 0.00982% 180 1.2 64 7266 0.0194% 97172 92641 191836 2-0 16: 73 147 133 235 220 152 160 146 148 72 59 86 100 89 103 167 0.981 7.99 -0.2 96 96 92 95 235 12.1 3.645 -0.003 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1188 Contamination 8.3766 1167.1 4.6 scans 89% 281 m/z 0.90% 0.0532% 218 1.3 115 27504 0.0648% 526692 498573 640773 0-6 13: 281 147 73 282 283 370 249 371 191 148 284 372 193 0.990 8.41 -2.3 99 98 83 100 369 33.0 8.210 -0.038 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1186 Phosphate 8.5471 1177.2 2.7 scans 91% TIC 0.28% 0.0682% 234 1.2 164 86804 0.123% 674664 602420 1216283 7-7 0.990 8.56 -0.8 100 99 99 100 299 0.0 0.000 -0.014 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1190 Contamination 8.7333 1188.3 4.3 scans 63% 73 m/z 4.7% 0.00709% 252 1.5 45 5283 0.0125% 70120 64781 123606 1-0 5: 73 157 211 140 186 0.907 8.48 14.8 82 81 75 88 309 4.0 0.775 0.249 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1184 Valine 9.1658 1213.7 3.8 scans 71% 144 m/z (156) 2.5% 0.00982% 293 0.8 52 9749 0.0149% 97198 88871 147338 5-4 5: 144 73 218 145 219 0.946 9.19 -1.3 95 97 90 97 218 16.6 10.272 -0.022 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1180 Benzoic acid 9.7340 1247.0 3.3 scans 77% 179 m/z 3.9% 0.00924% 347 1.1 53 6391 91398 84695 6-5 6: 179 105 135 77 180 194 0.931 9.76 -1.5 91 89 85 96 194 7.6 2.057 -0.025 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1178 Ethanolamine 10.0012 1262.6 5.1 scans 70% TIC 1.6% 0.0168% 372 0.8 67 14937 5.73% 166516 166227 56660966 1-0 0.902 10.03 -1.9 97 97 87 97 262 7.2 1.149 -0.033 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN VEN77_S6-N1002 Glycerol 10.1317 1270.3 6.1 scans 95% 302 m/z 0.0052% 7.55% 385 0.2 1194 4751544 74669048 74647431 1-0 18: 302 316 285 303 205 317 206 255 271 304 168 256 287 257 96 67 125 81 0.999 10.09 2.3 99 98 95 99 299 745.2 39.198 0.038 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2527 1277.3 2.5 scans 88% 73 m/z 0.53% 0.0346% 396 1.0 126 46814 342430 326501 1-1 19: 73 198 77 211 199 70 239 74 381 289 72 212 63 92 200 143 170 189 142 0.993 10.24 0.7 99 98 97 98 381 14.0 1.233 0.013 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN TAB_REP6-N1012 Proline 10.5368 1294.0 3.2 scans 96% TIC 0.0099% 1.83% 423 0.5 779 2496703 3.74% 18144743 16845096 36982900 3-0 0.998 10.53 0.2 99 97 98 100 216 145.6 3.516 0.004 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1172 Maleic acid 10.5978 1297.5 4.2 scans 76% TIC 0.26% 0.0511% 429 0.8 171 95050 3.00% 505646 505646 29665427 0-0 0.995 10.62 -1.6 97 96 96 97 245 41.5 5.867 -0.026 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN TAB_REP6-N1014 Maleic acid 10.5978 1297.5 3.2 scans 74% 147 m/z 0.25% 0.0596% 429 1.0 170 96060 1.65% 589952 589952 16315985 0-0 19: 147 73 245 148 75 83 149 246 133 115 84 74 247 170 54 126 215 150 131 0.993 10.60 -0.3 98 97 97 98 245 41.8 6.059 -0.004 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1170 Glycine 10.6546 1300.9 2.9 scans 78% TIC 0.20% 0.0798% 434 0.9 206 120387 3.08% 789824 789824 30456506 0-0 0.948 10.69 -1.9 98 98 91 98 276 31.6 2.350 -0.032 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7546 1306.9 3.2 scans 96% TIC 0.014% 1.66% 444 0.6 725 1676858 3.73% 16450905 15682293 36884015 1-2 0.995 10.76 -0.2 99 97 96 99 251 177.2 5.998 -0.003 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1168 Glyceric acid 11.0218 1323.0 2.8 scans 95% 73 m/z 0.070% 0.531% 469 0.9 463 355256 5251490 4884404 2-1 20: 73 147 292 189 133 103 205 293 307 102 190 148 117 75 294 74 149 59 191 101 1.000 11.05 -1.9 100 99 99 100 292 140.9 9.268 -0.032 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0818 1326.6 >3 scans 60% TIC 8.3% 0.00307% 475 0.9 40 2994 0.361% 30421 30421 3569740 0-0 0.958 11.06 1.1 88 87 72 93 285 12.9 10.378 0.019 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN TAB_REP6-N1018 Uracil 11.1387 1330.0 2.8 scans 55% 241 m/z 6.3% 0.00467% 480 1.3 42 3952 46204 44250 0-6 6: 241 255 256 99 242 113 0.883 11.15 -0.6 95 96 90 99 256 15.2 13.314 -0.009 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1164 Itaconic acid 11.2197 1334.9 2.9 scans 71% 147 m/z 2.0% 0.0112% 488 0.9 66 12314 0.0119% 111652 98359 117673 3-2 7: 147 73 259 148 215 149 97 0.940 11.25 -2.0 87 85 85 93 259 13.2 3.999 -0.032 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1162 Fumaric acid 11.3586 1343.3 2.7 scans 91% 245 m/z 0.41% 0.0595% 501 1.2 156 60736 589045 559540 2-1 20: 245 73 147 246 75 247 143 240 83 133 148 149 115 155 74 53 166 84 61 157 0.991 11.39 -2.0 96 95 96 96 245 84.3 29.186 -0.034 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4543 1349.0 3.0 scans 75% 57 m/z 1.2% 0.0201% 510 1.1 86 20101 0.0319% 198792 181095 315442 2-0 13: 57 97 145 115 127 69 56 55 129 109 111 128 71 0.987 11.45 0.5 93 90 94 97 145 25.3 8.654 0.008 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1160 Serine 11.5206 1353.0 3.0 scans 98% 204 m/z 0.044% 0.810% 517 0.6 536 564476 8013312 7864498 1-1 20: 204 73 218 205 147 100 219 188 278 206 133 75 74 306 220 116 59 189 216 132 0.999 11.56 -2.2 100 99 99 100 306 56.4 1.109 -0.036 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7447 1366.5 >3 scans 79% 147 m/z (306) 1.2% 0.0303% 538 1.2 103 19851 0.0750% 300216 276766 741636 0-3 18: 147 247 101 217 262 103 148 102 87 131 189 248 130 116 59 129 66 219 0.984 11.79 -2.4 87 85 92 98 262 12.9 1.565 -0.040 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN TAB_REP6-N1024 Threonine 11.9194 1377.0 2.6 scans 97% 73 m/z 0.18% 0.195% 554 1.1 288 134136 1933878 1932422 1-0 20: 73 218 219 117 291 292 147 101 220 75 74 57 100 203 293 128 132 320 133 129 0.999 11.92 -0.1 100 99 99 100 320 26.5 0.847 -0.002 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1150 Citrulline 13.0316 1446.0 2.9 scans 88% TIC 1.4% 0.0445% 660 0.9 125 17722 0.0463% 440430 418911 457836 1-0 0.990 13.08 -2.8 95 94 95 97 258 12.6 1.012 -0.044 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1148 Glutamine?? 13.3104 1463.6 3.0 scans 96% 155 m/z 0.12% 0.199% 687 0.7 266 205279 1971220 1958042 1-0 20: 155 73 147 156 229 139 75 59 157 100 74 148 131 230 257 133 84 103 72 56 0.996 13.35 -2.3 98 97 99 99 257 21.5 0.651 -0.037 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1146 Malic acid 13.5545 1478.9 2.5 scans 98% 73 m/z 0.026% 1.21% 710 0.6 707 941925 11990953 11841803 0-1 20: 73 147 233 245 133 189 335 148 75 190 175 191 74 149 55 101 234 265 307 217 0.999 13.62 -3.9 100 99 99 99 350 18.2 0.066 -0.063 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1144 Contamination Parabanica acid 13.7765 1492.9 3.0 scans 97% 100 m/z 0.090% 0.582% 731 0.6 461 276765 5763791 5707273 2-0 20: 100 115 243 128 73 116 244 59 201 158 72 75 101 245 70 147 131 142 74 117 1.000 13.81 -1.9 100 99 99 100 243 179.9 15.242 -0.029 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1140 Aspartic acid 14.0385 1509.9 5.5 scans 69% TIC 0.052% 0.641% 756 1.0 474 471599 1.06% 6345207 6216459 10481784 1-0 0.999 14.09 -3.2 99 98 98 99 349 23.7 0.250 -0.048 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0669 1511.8 3.8 scans 93% 156 m/z (232) 0.026% 1.05% 758 0.4 546 953851 10427450 9890387 1-1 15: 156 258 147 157 230 158 259 231 140 58 121 112 55 86 214 0.999 14.11 -2.9 97 97 97 99 273 23.7 0.188 -0.043 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN TAB_REP6-N1032 GABA 14.1974 1520.4 2.5 scans 92% 174 m/z 0.050% 0.525% 771 0.8 472 497831 5191682 4924707 4-1 20: 174 73 304 147 175 305 75 176 86 59 216 246 306 143 100 133 172 148 130 74 0.985 14.19 0.6 100 99 98 99 304 147.1 9.709 0.009 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3636 1531.5 2.7 scans 70% 73 m/z 1.0% 0.0344% 787 0.8 112 23976 0.0366% 340256 282553 361918 6-7 20: 73 292 147 220 205 293 217 117 294 103 148 221 75 133 74 319 206 149 102 291 0.951 14.62 -17.1 96 95 93 97 409 8.8 0.609 -0.257 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6372 1549.6 2.7 scans 98% 292 m/z 0.020% 2.11% 813 0.5 908 1231179 20887525 20282809 1-1 20: 292 73 147 220 205 293 217 117 294 221 103 319 148 133 291 74 245 206 149 102 0.999 14.69 -3.6 100 100 100 100 409 74.4 0.673 -0.055 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1126 Pyrazine 15.0802 1579.0 2.6 scans 95% TIC 0.19% 0.228% 855 0.9 312 127972 2263906 2256342 0-1 0.994 15.13 -3.4 99 98 98 99 344 95.7 9.376 -0.052 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1120 Glutamic acid 15.5074 1607.7 2.5 scans 89% 246 m/z 0.41% 0.0611% 895 1.1 164 59475 605111 605111 0-0 19: 246 73 128 247 147 348 75 248 230 156 84 363 56 149 349 218 129 133 258 0.977 15.56 -3.6 100 99 97 99 363 17.0 1.070 -0.053 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1118 Phenylalanine 15.6063 1614.5 2.8 scans 77% 218 m/z (267) 0.73% 0.0519% 905 1.2 139 34167 513339 482899 1-1 9: 218 192 219 266 91 220 100 65 294 0.934 15.66 -3.7 91 89 91 98 294 8.3 0.362 -0.053 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN TAB_REP6-N1038 Xylose 15.8946 1634.6 5.9 scans 63% TIC 2.6% 0.0138% 932 2.0 66 9286 0.0165% 136941 129159 163160 1-0 0.938 15.89 0.4 88 85 86 96 307 18.2 7.630 0.005 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN TAB_REP6-N1040 Xylose 16.0082 1642.4 2.7 scans 82% 73 m/z 0.48% 0.0657% 943 0.9 167 51870 650157 648005 0-1 20: 73 103 307 217 308 160 189 277 218 309 117 205 105 234 204 89 104 278 233 59 0.871 16.00 0.3 95 93 94 98 307 41.1 6.047 0.004 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN TAB_REP6-N1042 Ribose 16.1050 1649.2 3.2 scans 75% TIC 1.6% 0.0177% 952 1.0 86 14749 0.363% 175231 175231 3589517 0-0 0.966 16.10 0.2 96 95 92 98 307 24.5 8.033 0.002 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1112 Asparagine?? 16.2144 1656.8 2.7 scans 92% 73 m/z 0.22% 0.183% 963 0.9 272 111333 0.261% 1812909 1778992 2580892 1-2 20: 73 116 231 132 188 147 75 232 141 100 218 74 202 131 133 159 333 117 258 348 0.992 16.26 -3.2 95 94 97 98 348 23.5 0.748 -0.048 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1108 Ribose 16.3207 1664.1 2.8 scans 91% TIC 0.30% 0.125% 973 0.7 217 82086 0.344% 1243581 1209754 3401636 2-0 0.990 16.38 -3.8 96 95 95 98 467 5.4 0.062 -0.054 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6164 1684.7 3.1 scans 83% TIC 0.89% 0.0451% 1001 1.7 134 27898 0.0798% 446575 444087 789100 1-0 0.983 16.68 -4.1 99 99 96 99 497 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0015 1712.0 2.9 scans 84% 73 m/z 0.53% 0.0767% 1037 1.3 176 46742 0.398% 758616 758552 3935613 0-1 20: 73 217 147 319 205 103 307 189 218 129 204 320 277 206 308 219 321 148 74 306 0.978 17.06 -4.5 93 93 93 93 510 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN TAB_REP6-N1044 Putrescine 17.1909 1725.8 2.8 scans 84% 174 m/z (217) 0.23% 0.0940% 1055 1.1 181 105912 930144 824430 2-2 20: 174 175 214 176 172 86 200 361 130 100 173 362 146 142 126 187 376 114 99 188 0.985 17.19 0.2 94 93 94 98 376 12.3 0.466 0.003 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1096 Putrescine 17.1909 1725.8 2.8 scans 66% 174 m/z 0.23% 0.0708% 1055 1.1 160 107699 700428 620822 2-2 20: 174 175 214 176 172 86 200 361 130 100 173 362 146 142 126 187 376 114 99 188 0.989 17.25 -4.2 97 96 96 98 458 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3824 1739.8 2.9 scans 78% 73 m/z 0.91% 0.0427% 1074 1.3 128 27379 0.366% 423179 421377 3619182 1-0 20: 73 333 292 147 103 307 217 293 334 335 294 319 218 393 219 309 129 305 148 221 0.969 17.44 -4.5 98 98 96 98 511 8.9 0.483 -0.061 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN WTF2-N1010 Glycerol-P 17.4866 1747.4 2.7 scans 45% 357 m/z (73) 1.4% 0.0283% 1083 1.1 106 16730 280269 279085 0-1 19: 357 299 445 358 315 300 370 211 387 359 301 446 328 285 371 388 447 225 389 0.961 16.97 37.9 85 91 64 91 445 21.5 4.125 0.519 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5739 1753.8 2.9 scans 89% 217 m/z 0.11% 0.205% 1092 1.0 287 212173 0.328% 2032114 1904714 3243420 0-1 20: 217 73 218 147 219 450 74 75 451 305 257 232 191 133 129 148 452 149 220 169 0.995 17.63 -4.2 97 95 96 98 450 41.1 2.046 -0.058 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1088 Glutamine?? 17.6633 1760.3 3.1 scans 91% TIC 0.11% 0.476% 1100 1.4 396 219326 1.20% 4708669 4708669 11866171 0-0 0.979 17.73 -4.6 91 89 93 95 511 5.5 0.020 -0.063 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1086 Fructofuranose 18.0726 1790.2 3.1 scans 92% TIC 0.083% 0.510% 1139 1.4 419 299703 1.29% 5051059 4654822 12756134 1-0 0.983 18.13 -4.4 94 92 95 97 437 121.3 8.382 -0.061 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1084 Shikimic acid 18.1336 1794.6 2.8 scans 39% 204 m/z 0.36% 0.0401% 1145 1.0 126 68263 0.0739% 396745 375234 730758 0-3 17: 204 206 357 255 254 372 462 447 373 283 358 282 256 356 463 195 167 0.971 18.20 -4.6 95 96 95 97 462 13.9 1.217 -0.063 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1082 Citric acid 18.2557 1803.7 2.8 scans 84% 273 m/z 0.12% 0.350% 1157 1.1 364 193817 0.722% 3470261 3341622 7139480 0-3 20: 273 73 147 347 363 375 274 465 211 275 75 148 149 376 364 348 305 74 221 466 0.956 18.32 -5.0 98 96 96 99 465 53.3 2.143 -0.065 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1080 Citrulline or Ornithine 18.3367 1809.9 2.8 scans 48% 256 m/z 1.8% 0.0205% 1164 1.2 93 13644 0.180% 203244 203244 1779926 0-0 12: 256 157 142 158 257 141 204 373 70 304 99 255 0.927 18.40 -4.9 82 80 81 90 416 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5998 1830.0 4.6 scans 71% TIC 0.79% 0.0512% 1189 0.8 131 31587 0.0877% 506437 505014 867219 0-1 0.956 18.67 -5.3 89 89 89 91 319 24.7 3.556 -0.069 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1076 Pregnane?? 18.8176 1846.6 4.2 scans 97% 345 m/z 0.0089% 5.33% 1210 0.4 1206 2793692 52784226 51847755 1-0 20: 345 73 346 255 147 347 334 256 191 204 435 419 372 133 257 348 74 148 239 75 1.000 18.86 -3.1 100 100 99 100 537 90.2 0.563 -0.040 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1074 Adenine 18.8839 1851.6 3.1 scans 51% 264 m/z 0.51% 0.0322% 1216 1.1 112 48102 0.176% 318574 318574 1740372 0-0 17: 264 279 265 266 280 192 84 165 281 99 237 85 164 111 176 248 70 0.986 18.94 -4.3 96 95 92 96 415 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1072 Fructose 19.0007 1860.5 6.4 scans 99% 365 m/z 0.013% 7.57% 1227 0.9 1160 1793486 74861982 71544694 7-0 20: 365 231 175 131 192 134 118 113 569 58 158 332 367 304 150 390 187 91 402 98 0.999 19.03 -2.5 100 98 99 100 364 136.4 1.386 -0.032 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN TAB_REP6-N1052 Fructose 19.1280 1870.3 5.7 scans 100% 555 m/z 0.015% 5.49% 1239 1.0 1107 1608552 13.0% 54359586 54342619 128550186 1-0 14: 555 556 198 448 363 467 150 392 209 571 345 162 212 353 1.000 19.10 1.9 100 99 99 100 364 131.5 1.416 0.024 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1070 Fructose 19.1406 1871.2 5.1 scans 90% 73 m/z (319) 0.013% 5.43% 1241 0.4 1116 1840328 10.9% 53705287 52674334 107784386 1-0 20: 73 217 307 103 147 308 218 277 309 364 205 74 133 262 117 219 89 189 104 191 0.997 19.19 -4.1 96 97 97 98 554 51.7 0.215 -0.053 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1068 Galactopyranose 19.2500 1879.6 4.6 scans 76% 204 m/z 0.077% 0.387% 1251 1.4 365 321752 10.9% 3833229 3833229 107784386 0-0 18: 204 73 191 147 205 217 206 192 129 218 74 117 189 193 133 148 203 435 0.996 19.32 -4.9 98 97 96 99 435 26.3 0.521 -0.065 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1064 Mannose 19.3563 1887.7 6.5 scans 96% 322 m/z 0.010% 8.95% 1261 0.4 1289 2295361 88582756 85703043 1-1 20: 322 374 308 376 323 466 366 464 465 333 330 331 261 178 223 294 378 286 480 266 0.999 19.45 -7.5 100 99 99 99 319 518.0 16.219 -0.099 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN BRA4_R~2-N1004 Galactose 19.3616 1888.1 5.9 scans 73% 73 m/z (322) 0.010% 6.78% 1262 0.3 1176 2372205 7.02% 67105750 66426082 69417100 2-0 20: 73 319 205 147 160 320 217 103 321 206 117 74 129 157 161 133 229 148 189 75 0.895 19.36 -0.0 87 97 82 89 364 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5236 1900.5 2.8 scans 51% 174 m/z (273) 0.038% 0.396% 1277 1.0 393 654845 0.422% 3918207 3918207 4172937 0-0 18: 174 175 338 86 176 339 100 179 59 340 264 250 130 164 91 87 165 124 0.998 19.49 2.7 88 89 82 92 338 95.0 5.868 0.034 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1062 Glucose 19.5731 1904.4 2.7 scans 90% 319 m/z 0.022% 2.20% 1282 0.5 899 1128304 21785527 20534151 1-1 16: 319 205 147 320 160 217 103 321 206 133 229 129 148 204 157 89 0.990 19.66 -6.7 99 98 97 99 319 363.2 16.377 -0.083 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN TAB_REP6-N1059 Glucose 19.5731 1904.4 2.8 scans 96% TIC 0.021% 2.25% 1282 0.7 928 1172123 2.95% 22260505 22260505 29171004 0-0 0.998 19.55 1.7 100 98 99 99 376 39.9 0.185 0.021 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1060 Lysine 19.6267 1908.7 3.0 scans 38% 174 m/z 1.5% 0.0253% 1287 1.0 96 15669 0.405% 250325 226347 4004833 0-2 17: 174 317 156 128 230 318 434 86 176 175 100 88 231 114 115 146 154 0.946 19.69 -5.4 89 88 86 94 479 3.3 0.116 -0.066 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7277 1916.9 2.9 scans 53% 73 m/z (333) 2.3% 0.0172% 1297 1.0 80 10651 0.100% 170412 170412 988848 0-0 12: 73 319 244 205 147 320 217 117 103 307 321 206 0.914 19.79 -5.0 86 88 84 91 434 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN N406_R~2-N1016 Galacturonic acid 19.7856 1921.5 2.6 scans 26% 333 m/z 2.2% 0.00755% 1302 1.2 56 10986 0.00975% 74683 69180 96413 1-2 5: 333 160 334 335 364 0.966 19.79 -0.6 94 94 89 97 423 7.9 1.979 -0.007 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.3012 1963.0 2.4 scans 97% 204 m/z 0.026% 1.01% 1351 0.9 686 937587 10058240 9731460 1-1 20: 204 73 191 147 217 205 206 192 218 129 189 103 74 133 148 193 75 117 305 203 0.997 20.41 -9.0 97 95 98 97 217 152.3 4.949 -0.113 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1054 Gluconic acid 3 20.4727 1976.7 3.0 scans 68% 73 m/z 0.79% 0.0402% 1367 1.5 140 31479 0.164% 397613 397613 1621710 0-0 20: 73 333 292 147 319 205 334 217 103 305 335 423 435 359 117 320 74 433 306 307 0.919 20.55 -6.2 95 96 89 96 613 2.6 0.000 -0.076 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1052 Gluconic acid 2 20.5232 1980.8 2.7 scans 78% 73 m/z 0.43% 0.0736% 1372 0.9 198 57764 0.178% 728188 728188 1760149 0-0 20: 73 292 147 319 217 205 333 305 293 103 320 435 433 294 359 74 306 277 321 117 0.958 20.60 -5.9 96 96 96 96 613 6.0 0.091 -0.074 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1050 Gluconic acid 20.5747 1984.9 2.8 scans 76% 73 m/z 1.2% 0.0297% 1377 1.0 115 19336 0.171% 294277 269416 1690929 0-2 20: 73 333 292 147 319 305 334 217 435 423 205 359 103 335 293 277 433 307 306 424 0.974 20.65 -6.0 96 96 93 96 613 5.7 0.247 -0.073 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1048 Galactaric acid 21.0851 2027.1 3.2 scans 75% 333 m/z 2.0% 0.0168% 1426 1.3 80 12018 0.0213% 166619 166619 210625 0-0 11: 333 73 292 334 147 335 293 305 277 423 447 0.965 21.15 -5.6 94 94 89 94 627 6.6 0.684 -0.066 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN WTF2-N1038 C16:0 21.1440 2032.1 2.8 scans 76% 313 m/z 1.7% 0.0277% 1431 1.3 102 14585 274026 240040 4-15 19: 313 117 75 132 129 314 145 55 57 328 315 131 69 118 201 76 83 269 116 0.938 20.62 43.8 88 94 91 96 328 10.9 1.132 0.527 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN INOSIT~1-N1022 myo-Inositol 21.7059 2079.3 9.2 scans 8.5% 432 m/z (73) 0.10% 1.23% 1484 1.1 396 232547 12244247 12244246 1-0 7: 432 435 509 395 396 53 365 0.414 21.74 -3.0 82 95 59 94 507 103.9 6.897 -0.035 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.7059 2079.3 9.2 scans 100% 432 m/z 0.012% 14.4% 1484 1.1 1371 2072234 142571850 142571838 1-0 7: 432 435 509 395 396 53 365 0.999 21.75 -3.6 100 99 99 99 507 100.1 0.535 -0.043 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1044 myo-Inositol 21.7227 2080.7 8.9 scans 65% 318 m/z (217) 0.015% 8.65% 1486 0.4 1126 1627440 9.90% 85552065 83410814 97895911 1-0 13: 318 319 306 320 367 432 293 267 369 419 194 173 345 0.978 21.77 -3.7 87 84 51 99 612 36.0 0.102 -0.044 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8700 2093.1 3.4 scans 82% 319 m/z 0.60% 0.0745% 1500 1.2 160 41488 4.35% 737132 735905 43014870 1-0 17: 319 73 205 320 103 321 262 206 117 229 74 89 157 376 291 336 207 0.954 21.93 -5.0 96 97 96 97 656 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1951 2121.2 2.5 scans 92% 396 m/z 0.26% 0.154% 1531 1.0 263 95227 1532376 1421079 1-4 20: 396 73 219 397 381 398 191 220 307 382 249 75 293 74 308 383 399 221 133 233 0.997 22.19 0.7 94 91 89 100 396 105.5 16.141 0.009 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6581 2161.7 3.2 scans 88% 204 m/z 0.42% 0.0681% 1575 1.5 156 58595 0.138% 673650 637881 1364610 2-0 20: 204 73 205 147 217 249 206 117 191 131 250 74 218 129 103 203 75 189 362 133 0.990 22.71 -4.8 95 93 95 100 518 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN WTF2-N1036 C18:0 23.3946 2227.2 2.9 scans 70% 341 m/z 2.0% 0.0257% 1645 1.4 96 12373 0.0280% 254146 225647 276877 1-5 14: 341 117 132 342 145 129 356 55 57 343 201 83 97 297 0.937 22.89 45.4 87 93 90 95 356 12.4 1.666 0.506 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1164 2293.2 >3 scans 54% TIC 4.1% 0.00297% 1714 1.2 45 5958 0.0907% 29460 29460 896885 0-0 0.887 24.01 9.7 84 84 76 88 490 0.0 0.000 0.106 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6478 2343.4 3.2 scans 91% 73 m/z 0.23% 0.271% 1764 0.6 279 106151 2687194 2616848 4-1 20: 73 331 147 191 217 421 307 262 205 103 319 305 332 422 259 308 333 192 376 423 0.977 24.65 -0.2 97 96 96 99 466 17.2 0.382 -0.002 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7414 2352.3 2.6 scans 94% 73 m/z 0.19% 0.251% 1773 1.0 324 126926 2490993 2243486 1-4 20: 73 217 204 147 292 375 305 103 219 218 205 451 129 293 376 233 74 133 75 363 0.999 24.81 -6.1 99 98 98 99 451 37.7 1.355 -0.064 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3524 2510.3 2.9 scans 88% 204 m/z 0.26% 0.103% 1926 1.3 216 95936 0.353% 1019892 1019892 3490632 0-0 20: 204 73 205 495 147 217 206 496 117 273 363 74 130 129 131 231 103 497 319 191 0.996 26.35 0.3 97 96 97 96 495 41.5 3.679 0.002 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5312 2528.7 2.9 scans 24% 512 m/z 1.8% 0.0211% 1943 1.1 91 13690 209033 202398 1-1 19: 512 455 513 247 456 483 514 57 263 457 248 349 497 484 383 249 511 423 498 0.863 26.57 -4.4 93 94 58 94 512 40.0 19.334 -0.042 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1020 Sucrose 27.4056 2619.7 11.4 scans 10% 437 m/z (361) 0.044% 1.54% 2026 2.1 410 562325 15306433 14808012 1-1 20: 437 451 438 439 452 453 321 203 441 322 260 348 347 317 373 274 289 249 234 466 0.787 27.46 -5.9 94 96 94 97 437 256.4 39.305 -0.055 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1014 Sucrose 27.4056 2619.7 11.4 scans 96% 437 m/z 0.0078% 14.4% 2026 2.1 1268 3184123 142970365 138314847 1-1 20: 437 451 438 439 452 453 321 203 441 322 260 348 347 317 373 274 289 249 234 466 0.997 27.49 -9.0 100 100 99 100 437 253.3 4.017 -0.084 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1018 Sucrose 27.4151 2620.7 11.5 scans 57% 361 m/z (217) 0.0076% 8.54% 2027 1.4 988 3247177 9.32% 84464240 82159841 92160595 1-0 20: 361 362 364 320 365 332 259 291 450 145 199 134 175 333 233 181 293 158 449 135 0.914 27.47 -5.8 87 89 64 88 437 256.4 6.796 -0.055 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1010 Sucrose 27.4256 2621.8 >10 scans 94% 217 m/z 0.0076% 13.9% 2028 1.0 1271 3247177 15.5% 137774553 133981085 153271375 1-0 15: 217 218 219 148 231 273 245 143 130 255 292 193 142 222 304 1.000 27.58 -16.4 100 98 97 99 437 254.1 4.027 -0.153 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1008 Sucrose 27.4751 2627.1 11.2 scans 100% 73 m/z 0.0088% 14.1% 2033 0.1 1277 2806009 139602928 138152275 1-0 20: 73 451 74 75 450 104 69 81 59 55 54 76 67 56 58 70 88 53 239 465 0.999 27.59 -12.4 100 99 97 99 437 224.4 3.104 -0.116 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1016 Sucrose 27.4835 2628.0 >2 scans 47% 361 m/z (73) 0.024% 1.33% 2034 2.1 870 1015470 7.78% 13159197 13159197 76932342 0-0 20: 361 217 362 147 271 363 218 243 169 129 103 319 191 219 204 205 189 230 272 331 0.984 27.48 0.7 87 88 87 92 437 14.8 0.000 0.006 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN LQC1-N1006 Trehalose 28.3810 2725.1 3.5 scans 37% 361 m/z 4.5% 0.00562% 2119 1.0 46 5450 0.0175% 55646 55646 173048 0-0 4: 361 362 363 191 0.932 28.47 -9.8 88 90 76 90 565 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel polar\N407_REP3.FIN GUA35_L1-N1020 Galactinol 30.1540 2925.9 2.8 scans 91% 204 m/z 0.54% 0.0561% 2287 1.2 142 45874 0.0761% 555018 526480 752513 0-4 20: 204 73 217 191 205 147 361 206 305 433 218 129 103 192 343 319 641 362 293 149 0.998 30.55 -46.5 91 96 96 98 641 11.5 0.660 -0.391 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1194 Alanine 7.1853 1096.5 10.2 scans 68% 116 m/z 2.2% 0.162% 105 3.1 66 10942 272680 259036 1-1 2: 116 73 0.985 7.40 -13.0 96 96 93 95 283 0.0 0.000 -0.219 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1188 Contamination 8.2943 1162.3 10.7 scans 58% TIC 14% 0.0221% 210 1.8 31 1643 0.0740% 37019 35526 123839 1-0 0.955 8.41 -7.1 88 90 64 92 369 10.1 10.634 -0.121 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1186 Phosphate 8.4185 1169.6 4.2 scans 64% 241 m/z 3.9% 0.0440% 222 2.1 49 6146 0.0454% 73755 71105 75977 1-1 9: 241 242 163 211 256 243 133 89 135 0.958 8.56 -8.4 93 93 75 93 299 0.0 0.000 -0.143 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1184 Valine 9.0624 1207.7 5.7 scans 53% 144 m/z 7.1% 0.0265% 283 2.5 33 3395 0.0267% 44503 41487 44683 1-0 2: 144 218 0.895 9.19 -7.3 90 91 80 91 218 11.5 11.857 -0.126 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN VEN77_S6-N1002 Glycerol 10.0389 1264.8 3.5 scans 96% 299 m/z 0.0066% 21.6% 376 0.5 1239 3647830 36247636 33254578 1-5 20: 299 300 314 73 301 283 133 315 207 211 193 191 316 147 302 135 225 284 131 74 1.000 10.09 -3.2 100 98 95 99 299 777.6 39.671 -0.055 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1176 Isoleucine 10.3693 1284.2 4.7 scans 30% 158 m/z 7.7% 0.0127% 407 1.8 28 3114 0.0207% 21315 21315 34642 0-0 3: 158 218 159 0.984 10.46 -5.2 82 83 58 83 260 0.0 0.000 -0.090 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1012 Proline 10.4503 1288.9 4.8 scans 91% TIC 0.13% 1.25% 415 1.4 252 183503 2.80% 2093966 1902975 4685813 12-0 0.994 10.53 -4.9 100 99 99 100 216 45.9 3.321 -0.083 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1014 Maleic acid 10.5208 1293.0 >4 scans 63% TIC 0.98% 0.138% 421 2.0 112 24610 1.96% 231275 231275 3280069 0-0 0.992 10.60 -4.8 96 95 95 96 245 23.8 4.550 -0.081 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1170 Glycine 10.5955 1297.4 5.0 scans 50% 174 m/z (147) 3.8% 0.0510% 428 1.8 52 6296 0.105% 85487 80567 175718 4-0 7: 174 248 176 86 175 276 100 0.913 10.69 -5.4 91 94 81 94 276 9.9 3.690 -0.092 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.6681 1301.7 4.2 scans 92% 147 m/z 0.15% 1.25% 435 2.1 263 152593 1.72% 2108086 1891193 2878428 6-5 20: 147 73 76 251 148 149 132 58 252 74 133 176 150 118 62 134 59 222 90 77 0.971 10.76 -5.4 99 98 98 99 251 60.8 5.328 -0.090 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1168 Glyceric acid 10.9711 1319.9 3.7 scans 94% 73 m/z 0.46% 0.593% 464 1.7 201 51939 992408 933071 1-2 20: 73 147 189 292 133 103 205 293 102 117 190 307 148 74 75 149 134 294 101 59 0.998 11.05 -5.0 100 99 99 99 292 60.1 8.915 -0.083 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1018 Uracil 11.0879 1327.0 4.8 scans 57% 241 m/z 19% 0.0239% 476 1.7 36 1236 0.0253% 40061 40061 42340 0-0 7: 241 255 100 70 99 256 72 0.924 11.15 -3.6 81 80 53 93 256 9.9 7.432 -0.060 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1162 Fumaric acid 11.3173 1340.8 3.4 scans 91% 245 m/z 0.83% 0.211% 497 1.6 125 28867 0.816% 354165 316396 1365580 1-5 19: 245 73 147 246 75 247 143 83 149 240 155 53 84 217 61 74 144 127 69 0.995 11.39 -4.5 99 98 97 98 245 69.2 30.684 -0.076 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4141 1346.6 3.9 scans 58% 57 m/z 9.4% 0.0157% 506 1.4 34 2553 0.0370% 26389 26389 61920 0-0 5: 57 97 145 115 127 1.000 11.45 -1.9 83 83 78 87 145 11.4 11.115 -0.032 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1160 Serine 11.4740 1350.2 3.2 scans 98% TIC 0.11% 2.01% 512 1.3 403 219641 3372050 3324171 0-2 1.000 11.56 -5.0 100 99 99 100 306 41.6 1.066 -0.083 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.6919 1363.3 3.6 scans 74% 147 m/z 1.2% 0.187% 533 1.3 115 18693 0.239% 314547 299613 399968 0-1 19: 147 247 101 148 131 116 103 59 87 149 248 219 189 133 61 249 132 191 55 0.967 11.79 -5.6 95 95 93 97 262 14.0 1.469 -0.093 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1024 Threonine 11.8865 1375.0 3.2 scans 96% 73 m/z 0.41% 0.664% 551 1.4 227 58955 1112682 1026264 1-9 20: 73 218 219 117 291 292 101 147 220 57 100 128 293 74 132 203 221 129 320 133 0.999 11.92 -2.1 100 99 99 100 320 21.7 0.907 -0.034 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1148 Glutamine?? 13.2712 1461.1 3.0 scans 93% 155 m/z 0.60% 0.217% 683 1.2 137 39952 0.242% 364611 354300 404988 1-2 19: 155 73 147 156 229 139 100 59 74 157 257 148 230 131 149 58 56 103 140 0.997 13.35 -4.8 98 97 97 98 257 10.7 0.608 -0.076 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1146 Malic acid 13.5132 1476.3 2.5 scans 97% 73 m/z 0.13% 1.15% 706 0.9 353 184306 1938554 1876996 1-1 20: 73 147 233 245 133 75 148 189 190 74 175 335 55 101 149 191 234 217 59 265 0.999 13.62 -6.5 100 99 98 99 350 8.4 0.056 -0.104 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7384 1490.5 2.9 scans 98% 243 m/z 0.21% 1.33% 727 0.8 351 113918 2228331 2223547 0-1 20: 243 100 115 73 128 116 244 59 201 158 101 72 245 70 75 131 142 147 117 74 1.000 13.81 -4.3 100 100 99 100 243 137.4 15.317 -0.068 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0067 1507.8 2.6 scans 16% 232 m/z (156) 0.51% 0.191% 753 1.1 136 46955 320846 304389 1-2 20: 232 218 233 100 234 202 188 216 306 219 130 334 292 204 203 349 189 116 307 163 0.726 14.02 -0.7 92 94 88 97 258 7.7 0.000 -0.010 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0193 1508.6 3.1 scans 91% 156 m/z 0.099% 1.38% 754 0.9 345 244650 2313120 2247652 1-1 20: 156 73 147 157 230 258 75 158 74 59 148 72 259 133 231 140 58 121 149 55 0.912 14.03 -0.7 99 98 98 99 258 68.9 3.985 -0.011 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0193 1508.6 3.1 scans 88% 156 m/z (232) 0.096% 1.35% 754 0.9 339 250998 2271790 2207492 1-1 20: 156 73 147 157 230 258 75 158 74 59 148 72 259 133 231 140 58 121 149 55 0.995 14.11 -6.1 97 98 97 99 273 15.7 0.214 -0.091 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1032 GABA 14.1729 1518.8 2.9 scans 94% 174 m/z 0.34% 0.509% 769 1.1 212 70232 0.514% 852317 828191 860181 1-2 20: 174 73 304 147 175 305 176 86 75 216 59 246 306 143 100 148 130 172 133 74 0.997 14.19 -1.0 100 99 98 99 304 64.1 9.119 -0.015 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3202 1528.6 3.1 scans 49% 239 m/z (292) 8.6% 0.0178% 783 1.0 39 2792 29830 29572 2-0 6: 239 342 343 240 174 254 0.899 14.37 -3.6 86 89 74 90 342 16.5 17.894 -0.054 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6107 1547.9 2.5 scans 97% 73 m/z 0.044% 4.43% 810 0.8 682 543034 7422039 7110734 1-1 20: 73 292 147 220 205 217 293 117 103 221 294 148 133 74 319 149 75 291 206 102 0.999 14.69 -5.3 100 99 99 100 409 52.1 0.586 -0.081 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1126 Pyrazine 15.0631 1577.9 2.6 scans 81% 227 m/z 4.8% 0.0419% 853 1.0 67 4988 70132 70008 0-1 11: 227 217 344 73 301 147 154 139 302 345 228 0.976 15.13 -4.5 83 79 71 93 344 20.1 9.107 -0.069 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3788 1598.8 2.5 scans 73% 217 m/z 3.9% 0.0197% 883 1.4 47 6121 0.0257% 32993 32993 43009 0-0 3: 217 218 219 0.965 15.44 -4.2 89 90 83 90 393 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1036 Glutamic acic 15.4956 1606.8 2.4 scans 86% 246 m/z 3.1% 0.0407% 894 1.2 67 7815 68204 68204 0-1 5: 246 247 230 156 248 0.991 15.50 -0.6 95 93 91 100 363 7.0 1.114 -0.007 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1040 Xylose 16.0059 1642.3 2.6 scans 69% 103 m/z 2.7% 0.0622% 943 1.0 78 8824 0.0937% 104225 102464 156807 2-0 11: 103 307 217 277 308 204 160 189 309 205 104 0.976 16.00 0.2 93 93 88 93 307 21.7 7.752 0.002 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN EXBLK1-N1004 Contamination triHydroxy-Benzene 16.1532 1652.5 2.5 scans 78% 342 m/z 2.3% 0.0654% 957 1.0 82 10150 109473 107463 1-0 9: 342 327 239 343 311 328 240 237 312 0.972 15.90 17.7 82 77 64 94 342 41.0 25.253 0.255 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1112 Asparagine?? 16.2016 1655.9 3.0 scans 72% TIC 6.4% 0.0291% 961 1.0 56 3766 0.224% 48734 48734 374865 0-0 0.976 16.26 -4.1 88 88 86 90 348 4.6 0.663 -0.060 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1042 Ribose 16.3184 1664.0 3.9 scans 75% TIC 3.2% 0.0600% 972 1.0 72 7428 0.224% 100521 99863 374865 0-2 0.965 16.10 15.0 92 91 89 95 307 21.5 8.793 0.215 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6119 1684.4 2.6 scans 79% 307 m/z 6.2% 0.0349% 1000 1.5 60 3858 0.0625% 58548 55998 104594 1-0 6: 307 319 103 217 308 320 0.974 16.68 -4.4 94 95 87 95 497 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9265 1706.5 2.9 scans 78% 73 m/z 4.8% 0.0383% 1030 1.3 67 4995 0.442% 64213 64213 739689 0-0 9: 73 318 246 217 205 103 147 319 117 0.997 16.99 -4.6 81 81 80 81 422 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9960 1711.6 2.6 scans 85% 73 m/z 2.8% 0.0700% 1037 1.0 85 8402 0.137% 117291 106771 229270 0-2 17: 73 217 205 319 147 103 307 218 129 189 204 320 308 133 148 74 206 0.998 17.06 -4.9 93 93 89 93 510 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1096 Putrescine 17.1864 1725.5 2.7 scans 62% 174 m/z 1.2% 0.0635% 1055 1.1 80 20039 106367 105542 1-0 9: 174 175 214 176 172 200 86 100 361 0.987 17.25 -4.5 98 98 96 98 458 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3748 1739.3 2.9 scans 63% 333 m/z (345) 5.6% 0.0381% 1073 1.2 61 4302 0.159% 63908 63257 266087 1-1 7: 333 292 103 334 307 217 293 0.990 17.44 -5.0 90 92 89 92 511 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5652 1753.2 2.7 scans 89% 217 m/z 0.75% 0.179% 1091 0.8 131 32182 0.307% 299592 271347 513766 2-1 18: 217 73 218 147 219 450 305 232 74 133 191 451 129 257 148 59 169 149 0.995 17.63 -4.8 95 94 91 94 450 21.2 2.633 -0.067 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6946 1762.6 2.7 scans 86% TIC 1.8% 0.135% 1103 1.5 113 13217 0.483% 227457 217814 808303 0-1 0.990 17.70 -0.3 97 96 93 96 375 13.6 1.451 -0.004 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1086 Fructofuranose 18.0608 1789.3 2.5 scans 84% 217 m/z 0.95% 0.188% 1138 1.3 142 25427 315617 315369 0-1 12: 217 437 438 218 439 257 219 103 215 440 230 303 0.994 18.13 -5.3 94 93 93 94 437 43.5 9.416 -0.073 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1076 Pregnane?? 18.7826 1843.9 2.5 scans 97% 345 m/z 0.033% 5.41% 1207 0.7 743 734435 9068286 8700625 1-1 20: 345 73 346 255 147 347 204 334 256 191 435 419 133 372 148 257 74 239 348 75 0.999 18.86 -5.8 100 100 99 100 537 54.9 0.548 -0.075 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1050 Fructose 18.9541 1857.0 2.6 scans 98% 73 m/z 0.043% 5.02% 1223 0.8 719 560802 8407616 8292729 1-0 20: 73 217 103 307 147 308 218 277 133 74 309 364 117 205 189 104 219 89 148 204 1.000 18.98 -2.0 100 99 99 99 364 79.2 1.218 -0.026 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1052 Fructose 19.0730 1866.1 2.6 scans 96% 73 m/z 0.062% 3.71% 1234 0.9 602 385037 4.00% 6211756 5764524 6694019 2-1 20: 73 217 307 103 147 308 218 277 309 74 205 364 133 89 117 262 148 219 189 104 1.000 19.10 -2.3 100 99 99 99 364 67.0 1.241 -0.031 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1054 Galactose 19.1919 1875.1 2.8 scans 51% 319 m/z (204) 5.3% 0.0457% 1245 1.0 66 4501 6.68% 76539 76539 11179011 0-0 4: 319 160 320 321 0.956 19.22 -1.9 80 81 76 87 376 0.0 0.000 -0.024 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1068 Galactopyranose 19.2182 1877.1 2.5 scans 85% 204 m/z (319) 0.44% 0.317% 1248 1.3 180 54106 0.975% 530697 530515 1631667 1-0 5: 204 191 192 193 435 0.999 19.32 -7.4 94 95 94 97 435 13.0 0.523 -0.097 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1064 Mannose 19.2813 1881.9 2.7 scans 97% 319 m/z 0.037% 7.21% 1254 0.8 842 651948 7.49% 12068425 11629645 12534550 0-1 20: 319 73 205 147 160 320 217 321 103 206 117 133 229 74 157 129 148 204 189 207 0.998 19.45 -13.3 100 98 99 100 319 325.4 14.985 -0.174 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1062 Glucose 19.5170 1899.9 3.2 scans 89% TIC 0.16% 1.63% 1276 0.7 358 151293 2738507 2655118 1-2 0.982 19.66 -11.2 99 98 96 98 319 123.4 11.895 -0.139 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1061 Lysine 19.6002 1906.6 2.5 scans 42% 174 m/z 12% 0.0146% 1284 1.1 39 1950 0.174% 24504 24504 291190 0-0 4: 174 317 128 156 0.904 19.61 -1.0 85 87 76 88 434 5.4 1.860 -0.013 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2799 1961.2 2.6 scans 95% TIC 0.26% 0.632% 1349 1.1 259 91233 1057716 1021120 1-1 0.993 20.41 -10.8 97 96 97 97 217 59.9 5.362 -0.134 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1052 Gluconic acid 2 20.5082 1979.6 2.6 scans 73% TIC 4.6% 0.0334% 1371 1.1 67 5243 1.05% 56052 56052 1757180 0-0 0.984 20.60 -7.1 87 87 84 87 613 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6656 2075.9 2.7 scans 98% 305 m/z 0.024% 13.8% 1481 0.6 1138 992005 23234689 22912223 0-1 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 320 433 133 129 367 148 291 1.000 21.75 -7.0 100 100 99 100 507 93.2 0.672 -0.083 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8855 2094.4 3.3 scans 84% 319 m/z 5.5% 0.0444% 1502 1.1 61 4341 5.91% 74353 67485 9890413 10-0 8: 319 73 205 320 147 321 103 217 0.993 21.93 -3.7 87 87 81 88 656 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1970 2121.4 3.1 scans 91% TIC 0.98% 0.238% 1531 1.2 139 24558 0.240% 398720 369731 401641 0-4 0.993 22.19 0.9 96 96 90 96 396 63.8 21.184 0.011 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6831 2163.9 3.4 scans 88% 204 m/z 3.6% 0.0446% 1577 1.7 57 6690 0.0846% 74712 71788 141578 1-0 7: 204 73 205 249 217 147 206 0.988 22.71 -2.6 93 93 91 93 518 0.0 0.000 -0.031 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6644 2345.0 3.2 scans 87% 73 m/z 2.5% 0.139% 1766 0.6 96 9621 232837 206990 4-2 20: 73 331 217 147 191 262 307 421 103 305 319 332 74 148 117 376 218 192 422 149 0.978 24.65 1.4 94 94 89 93 466 5.3 0.308 0.014 G:\GCMS data\Nicotiana Panel polar\N407_REP4.FIN LQC1-N1014 Sucrose 27.3717 2616.1 3.0 scans 98% 361 m/z 0.031% 7.39% 2023 1.3 763 757775 12370430 11446538 1-7 20: 361 73 362 217 437 147 363 271 103 129 451 169 438 218 243 319 191 439 74 364 1.000 27.49 -12.6 100 99 99 100 437 149.8 3.868 -0.118 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN EXBLK5S-N1006 Contamination 6.3689 1048.1 5.7 scans 44% 207 m/z 2.9% 0.0218% 27 1.2 58 9053 215373 163232 9-3 7: 207 295 208 209 296 297 191 0.985 6.63 -15.2 95 95 86 95 295 18.4 10.253 -0.256 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1194 Alanine 7.4327 1111.2 13.5 scans 63% TIC 0.94% 0.0602% 128 1.4 107 28644 0.128% 593657 593657 1261047 0-0 0.898 7.40 1.7 94 93 91 96 283 0.0 0.000 0.029 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN A-KETO~2-N1006 Contamination?? 7.9809 1143.7 2.9 scans 70% 156 m/z 3.2% 0.00915% 180 1.1 65 8324 0.0124% 90152 81099 122164 5-4 6: 156 75 55 54 157 61 0.969 7.96 1.5 97 97 93 98 156 34.2 27.696 0.024 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1192 Contamination 8.0619 1148.5 3.3 scans 45% TIC 10% 0.00252% 188 2.1 40 2698 0.0153% 24913 24539 150735 1-0 0.850 7.99 4.3 85 88 79 88 235 8.8 4.794 0.073 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1188 Contamination 8.3818 1167.4 6.0 scans 84% 281 m/z 1.4% 0.0525% 218 1.9 102 18941 518063 416493 7-6 15: 281 147 369 73 282 283 370 265 249 371 207 191 148 284 205 0.994 8.41 -2.0 99 98 84 99 369 29.4 8.209 -0.033 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1186 Phosphate 8.6006 1180.4 2.6 scans 87% TIC 0.53% 0.0375% 239 1.7 137 50129 0.0412% 369830 349557 405900 1-1 0.982 8.56 2.4 99 98 96 99 299 0.0 0.000 0.040 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1184 Valine 9.2109 1216.4 5.0 scans 81% 144 m/z (156) 1.5% 0.0256% 297 0.4 80 17067 252730 236811 5-1 5: 144 218 145 146 219 0.979 9.19 1.4 96 97 94 98 218 23.9 8.973 0.023 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1180 Benzoic acid 9.7739 1249.3 3.4 scans 63% 179 m/z 6.7% 0.00617% 351 0.7 46 3995 60829 56616 1-2 5: 179 105 135 77 180 0.845 9.76 0.8 85 81 81 96 194 5.6 1.486 0.015 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1178 Ethanolamine 10.0095 1263.1 5.7 scans 69% 174 m/z 1.2% 0.0306% 373 1.1 86 21691 0.562% 301511 299944 5536785 1-0 6: 174 73 175 86 100 130 0.924 10.03 -1.4 97 96 88 98 262 9.7 1.290 -0.024 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN VEN77_S6-N1002 Glycerol 10.1453 1271.1 4.8 scans 98% 299 m/z 0.0067% 5.16% 386 0.3 1214 4036019 50904136 50673982 1-0 20: 299 300 314 73 301 283 133 211 315 207 193 147 191 316 298 225 135 284 74 205 1.000 10.09 3.1 99 98 95 99 299 752.4 38.683 0.051 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2705 1278.4 2.7 scans 77% 73 m/z 1.9% 0.0105% 398 0.9 72 13676 104284 104284 0-0 9: 73 198 77 211 199 70 74 239 381 0.980 10.24 1.8 94 94 91 94 381 8.0 1.217 0.030 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1176 Isoleucine 10.4620 1289.6 3.2 scans 26% 158 m/z 1.4% 0.0120% 416 0.7 65 19139 0.0205% 118287 100962 201965 4-0 6: 158 218 159 232 219 160 0.989 10.46 0.2 86 86 63 86 260 6.0 0.854 0.003 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1012 Proline 10.5556 1295.1 3.1 scans 96% TIC 0.019% 1.11% 425 0.4 636 1355204 2.77% 11018486 10229577 27289848 5-0 0.998 10.53 1.3 99 98 98 100 216 117.1 3.414 0.023 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6198 1298.8 3.1 scans 87% TIC 0.18% 0.102% 431 1.3 242 150167 2.57% 1013776 1013776 25319462 0-0 0.991 10.60 1.0 99 98 99 100 245 55.4 5.242 0.018 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1170 Glycine 10.6777 1302.3 4.1 scans 70% TIC 0.50% 0.0423% 436 1.0 158 53795 2.08% 416794 416794 20492016 0-0 0.982 10.69 -0.5 96 94 96 99 276 22.1 1.953 -0.009 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7755 1308.2 3.2 scans 92% 147 m/z 0.019% 1.37% 446 0.6 728 1359292 13525330 11835237 2-2 19: 147 73 251 76 148 149 58 132 252 74 133 177 176 150 131 118 57 175 59 0.993 10.76 1.1 99 97 96 99 251 173.3 5.681 0.018 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1168 Glyceric acid 11.0396 1324.1 2.5 scans 98% 73 m/z 0.080% 0.440% 471 0.8 478 335356 4336587 4330543 1-0 20: 73 147 292 189 133 103 205 293 148 190 117 102 307 75 74 294 59 149 101 191 0.999 11.05 -0.8 100 99 99 100 292 141.3 8.740 -0.014 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.1038 1327.9 2.6 scans 46% 184 m/z 12% 0.00238% 477 0.9 35 2105 0.00789% 23479 23479 77732 0-0 4: 184 285 134 174 0.890 11.06 2.4 85 86 65 91 285 12.9 13.696 0.041 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1018 Uracil 11.1575 1331.2 3.0 scans 59% TIC 8.1% 0.00397% 482 2.7 44 3307 0.0129% 39160 39160 127090 0-0 0.916 11.15 0.6 96 96 91 100 256 14.6 11.066 0.009 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1162 Fumaric acid 11.3753 1344.3 2.6 scans 94% 245 m/z 0.25% 0.102% 503 0.9 226 106212 1008379 985757 1-1 20: 245 147 73 246 75 143 247 83 240 133 148 149 115 84 53 155 74 59 157 61 0.995 11.39 -1.0 98 97 97 98 245 122.1 29.154 -0.018 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4700 1350.0 3.8 scans 58% 57 m/z 1.6% 0.0181% 512 1.0 80 16125 0.0360% 178810 169515 354669 2-0 12: 57 145 97 115 127 55 56 69 129 111 109 128 0.992 11.45 1.5 82 79 84 91 145 24.0 9.016 0.024 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1160 Serine 11.5373 1354.0 2.7 scans 98% 204 m/z 0.030% 1.15% 518 0.7 752 898676 11419950 11413011 1-0 20: 204 73 218 205 147 100 188 219 278 206 133 75 74 306 220 59 116 189 203 132 1.000 11.56 -1.2 100 99 99 99 306 78.1 1.082 -0.020 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1024 Threonine 11.9351 1378.0 2.4 scans 98% 73 m/z 0.097% 0.377% 556 0.7 448 277713 3715001 3681157 1-0 20: 73 218 219 117 291 292 147 101 220 75 100 57 74 293 203 128 133 221 132 59 1.000 11.92 0.9 100 98 99 100 320 41.3 0.848 0.014 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN N406_R~1-N1016 b-Alanine 12.6158 1419.8 2.9 scans 35% 248 m/z 13% 0.00342% 621 1.1 39 1996 33697 33697 0-1 4: 248 174 129 290 0.728 12.60 0.8 89 92 67 97 304 0.0 0.000 0.014 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1150 Citrulline 13.0388 1446.5 2.6 scans 76% 128 m/z 3.1% 0.0194% 661 1.2 97 8702 191189 174240 1-3 11: 128 243 115 141 100 169 70 142 129 244 153 0.983 13.08 -2.3 93 92 92 96 258 11.4 1.392 -0.037 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1148 Glutamine?? 13.3282 1464.7 3.5 scans 95% 155 m/z 0.12% 0.254% 688 0.5 307 219848 2503149 2380660 1-1 20: 155 73 147 156 139 229 75 59 74 100 157 148 103 230 84 133 257 131 149 56 0.998 13.35 -1.2 98 96 98 99 257 24.0 0.612 -0.019 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1146 Malic acid 13.5765 1480.3 2.8 scans 99% 73 m/z 0.017% 2.18% 712 0.5 979 1526285 21515114 21479982 1-0 20: 73 147 233 245 133 189 148 190 75 175 191 335 74 149 55 101 234 217 307 59 0.999 13.62 -2.5 100 99 99 100 350 24.9 0.065 -0.041 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.8027 1494.6 3.9 scans 96% 243 m/z 0.068% 1.09% 733 0.3 601 392576 10820229 10309172 2-4 20: 243 115 100 73 128 116 244 201 59 158 101 245 72 75 131 147 70 142 117 74 1.000 13.81 -0.2 100 99 99 100 243 234.6 15.247 -0.003 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1140 Aspartic acid 14.0447 1510.3 >3 scans 78% TIC 0.057% 0.706% 756 1.4 541 468568 1.78% 6964945 6771009 17536436 1-0 0.999 14.09 -2.8 100 99 99 100 349 27.1 0.251 -0.042 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0921 1513.5 3.6 scans 94% 156 m/z 0.016% 1.84% 761 0.3 787 1688973 18135318 17826181 1-0 16: 156 73 147 157 258 230 158 148 231 259 72 59 58 155 140 112 0.989 14.11 -1.2 100 99 99 99 273 33.0 0.177 -0.018 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1032 GABA 14.2026 1520.8 2.7 scans 91% 174 m/z 0.092% 0.342% 771 1.0 403 293593 1.22% 3373090 3217349 12019355 1-9 20: 174 304 73 147 175 305 75 176 86 59 143 216 306 133 246 130 148 172 74 131 0.992 14.19 1.0 100 99 98 99 304 121.6 9.102 0.015 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1134 GABA 14.2036 1520.9 2.9 scans 88% TIC 0.096% 0.337% 771 1.0 399 281432 2.48% 3329195 3329195 24432788 0-0 0.988 14.24 -2.5 99 98 97 98 304 119.1 8.942 -0.038 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3688 1531.8 2.5 scans 57% 292 m/z 1.4% 0.0234% 787 1.1 108 19175 231019 205433 3-1 13: 292 220 205 293 294 148 221 219 291 245 102 206 143 0.959 14.62 -16.8 93 92 90 94 409 7.7 0.509 -0.252 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6582 1551.0 3.4 scans 98% 292 m/z 0.013% 4.07% 815 0.4 1256 1951582 40175494 39004944 1-1 20: 292 73 147 220 205 293 217 117 294 221 103 319 148 133 291 74 149 206 245 102 1.000 14.69 -2.2 100 100 100 100 409 101.2 0.652 -0.034 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1126 Pyrazine 15.0927 1579.8 2.5 scans 97% 73 m/z 0.085% 0.532% 856 0.8 536 314473 5244962 5244962 0-0 20: 73 227 344 301 147 345 154 228 302 139 211 126 59 346 329 303 74 229 128 133 1.000 15.13 -2.6 99 98 97 100 344 164.7 9.440 -0.039 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3873 1599.4 3.7 scans 68% TIC 1.2% 0.0288% 884 2.3 102 21120 0.174% 284135 264804 1714236 0-1 0.912 15.44 -3.6 87 86 86 92 393 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1120 Glutamic acid 15.5125 1608.0 2.7 scans 58% 246 m/z (213) 1.2% 0.0231% 896 1.2 106 21974 228493 213616 1-2 12: 246 247 128 348 248 156 230 363 84 56 218 349 0.964 15.56 -3.3 95 97 91 97 363 11.3 1.153 -0.047 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1118 Phenylalanine 15.6114 1614.9 2.7 scans 64% 218 m/z (328) 0.72% 0.0568% 905 1.2 165 37203 560233 558378 0-1 11: 218 192 219 91 266 220 65 160 294 162 146 0.889 15.66 -3.3 90 91 85 98 294 11.7 0.505 -0.048 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1038 Xylose 15.8934 1634.5 2.7 scans 68% 103 m/z 1.7% 0.0216% 932 1.7 98 15809 213158 203425 1-1 11: 103 217 307 218 308 160 89 277 219 309 104 0.956 15.89 0.3 89 86 87 97 307 27.3 7.831 0.003 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1040 Xylose 16.0092 1642.5 2.7 scans 79% 73 m/z 0.25% 0.127% 943 1.0 256 106957 1259522 1191700 1-1 20: 73 103 217 307 308 189 160 277 133 218 104 117 204 309 205 59 233 105 219 89 0.858 16.00 0.4 93 90 91 98 307 60.8 5.635 0.005 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1042 Ribose 16.1060 1649.2 2.8 scans 71% 73 m/z 1.8% 0.0161% 952 0.9 94 14295 0.111% 158686 156986 1093564 1-0 16: 73 103 307 217 308 160 147 218 277 189 309 104 74 219 89 105 0.977 16.10 0.2 96 96 94 97 307 27.4 8.504 0.003 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1112 Asparagine?? 16.2133 1656.7 2.7 scans 89% 73 m/z 0.44% 0.0923% 962 1.0 216 60155 0.247% 909645 908827 2433427 0-1 20: 73 116 231 132 188 75 147 232 218 100 74 141 202 131 117 348 133 258 159 333 0.993 16.26 -3.3 96 95 98 97 348 18.5 0.736 -0.049 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1108 Ribose 16.3217 1664.2 2.8 scans 89% TIC 0.39% 0.106% 973 0.6 211 68491 0.240% 1051724 1038818 2364463 1-0 0.989 16.38 -3.7 96 95 96 98 467 6.2 0.087 -0.053 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6163 1684.7 2.8 scans 84% TIC 0.95% 0.0415% 1001 1.7 147 28257 0.152% 409719 409719 1497493 0-0 0.995 16.68 -4.1 99 99 98 99 497 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1104 Rhamnose 16.8762 1702.9 2.9 scans 65% TIC 1.9% 0.0122% 1025 1.1 91 14094 0.152% 120759 120759 1497493 0-0 0.977 16.93 -4.0 85 84 88 89 392 9.3 1.035 -0.056 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9267 1706.5 2.9 scans 36% 217 m/z (73) 2.7% 0.0144% 1030 1.4 82 9791 0.0425% 142252 141499 418707 1-0 9: 217 319 205 307 103 218 308 320 318 0.773 16.99 -4.6 81 84 54 88 422 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9993 1711.8 3.1 scans 86% TIC 0.68% 0.0621% 1037 1.5 169 39259 0.569% 612639 612639 5605748 0-0 0.990 17.06 -4.7 98 97 96 97 510 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1096 Putrescine 17.1939 1726.1 2.8 scans 60% 174 m/z 0.19% 0.0936% 1056 1.1 204 140852 923019 879662 1-2 18: 174 175 214 176 86 172 200 361 59 130 100 146 376 142 173 362 126 99 0.997 17.25 -3.9 97 95 95 98 458 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1044 Putrescine 17.1939 1726.1 2.8 scans 69% 174 m/z (73) 0.19% 0.110% 1056 1.1 220 140576 1086758 1035710 1-2 18: 174 175 214 176 86 172 200 361 59 130 100 146 376 142 173 362 126 99 0.989 17.19 0.5 96 96 97 99 376 16.7 0.576 0.006 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3802 1739.6 3.0 scans 85% 73 m/z 0.84% 0.0492% 1073 1.3 150 32056 0.0507% 484781 484266 499493 1-0 20: 73 333 292 147 103 217 307 293 334 335 294 308 74 277 129 218 393 148 511 219 0.976 17.44 -4.7 98 98 97 98 511 10.6 0.499 -0.063 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN WTF2-N1010 Glycerol-P 17.4865 1747.4 2.7 scans 44% 357 m/z (73) 3.0% 0.0147% 1083 1.0 84 8885 145765 144423 1-1 14: 357 299 358 315 300 445 211 359 370 387 301 256 371 389 0.941 16.97 37.9 82 89 62 90 445 16.6 3.889 0.518 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5717 1753.6 2.9 scans 95% TIC 0.10% 0.277% 1092 0.9 354 260158 0.770% 2738352 2737714 7585987 0-1 0.999 17.63 -4.4 97 95 96 98 450 41.1 1.350 -0.060 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1088 Glutamine?? 17.6569 1759.8 2.8 scans 89% TIC 0.23% 0.233% 1100 1.5 307 116945 0.751% 2304575 2194109 7398800 1-2 0.967 17.73 -5.1 92 90 94 95 511 5.7 0.034 -0.069 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1084 Shikimic acid 18.1304 1794.4 3.2 scans 33% 204 m/z 0.91% 0.0230% 1145 0.9 93 29497 0.0338% 226766 214698 332995 3-3 15: 204 205 357 206 255 254 372 462 358 283 447 373 167 282 195 0.903 18.20 -4.8 89 88 88 93 462 9.7 1.085 -0.067 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1304 1794.4 3.2 scans 51% 204 m/z (73) 0.92% 0.0362% 1145 0.9 115 29369 0.0532% 357272 338260 524123 3-3 15: 204 205 357 206 255 254 372 462 358 283 447 373 167 282 195 0.947 18.13 0.4 85 86 80 94 372 14.1 1.490 0.005 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1082 Citric acid 18.2525 1803.5 4.1 scans 79% TIC 0.42% 0.130% 1156 2.0 212 64279 0.314% 1286480 1285554 3093506 1-0 0.892 18.32 -5.2 97 97 94 98 465 29.6 1.957 -0.069 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1076 Pregnane?? 18.8249 1847.1 4.8 scans 98% 345 m/z 0.0089% 6.61% 1211 0.4 1385 3038436 65161520 64659953 1-0 20: 345 73 346 255 147 347 334 191 204 256 435 372 419 133 257 74 148 239 75 348 0.998 18.86 -2.6 100 100 99 100 537 99.6 0.520 -0.033 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1074 Adenine 18.8827 1851.5 3.0 scans 41% 264 m/z 0.90% 0.0159% 1216 1.2 89 29994 0.170% 157490 157490 1674828 0-0 8: 264 279 265 266 280 84 237 124 0.957 18.94 -4.4 93 93 82 93 415 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1072 Fructose 19.0100 1861.3 7.8 scans 94% TIC 0.013% 7.92% 1228 0.5 1331 2074851 9.84% 78108261 74108799 96942997 5-0 0.999 19.03 -1.7 100 98 99 99 364 153.5 1.336 -0.023 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1050 Fructose 19.0342 1863.1 >2 scans 97% 73 m/z 0.013% 3.08% 1231 3.0 1311 1989556 9.95% 30441672 30441672 98026709 0-0 20: 73 307 217 103 147 218 133 189 205 117 74 104 219 89 148 75 191 204 172 129 1.000 18.98 4.1 100 99 99 99 364 149.0 1.297 0.054 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1052 Fructose 19.1605 1872.7 6.2 scans 96% 73 m/z 0.014% 7.35% 1243 0.2 1304 1851263 17.3% 72459112 69468500 170438399 1-1 20: 73 307 217 103 147 308 218 277 309 205 364 133 74 262 117 89 219 189 191 148 1.000 19.10 4.3 100 99 99 99 364 154.9 1.416 0.057 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1070 Fructose 19.1605 1872.7 6.2 scans 86% 73 m/z (319) 0.018% 6.82% 1243 0.2 1235 1460716 16.1% 67284955 64507897 158616082 1-1 20: 73 307 217 103 147 308 218 277 309 205 364 133 74 262 117 89 219 189 191 148 0.991 19.19 -2.6 92 94 95 94 554 45.3 0.000 -0.033 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1056 Glucose 19.3667 1888.5 8.5 scans 82% 320 m/z 0.011% 7.80% 1262 0.3 1336 2301111 10.7% 76902933 74560796 105415657 1-0 20: 320 305 149 364 365 134 269 374 308 323 293 306 246 232 343 331 301 208 333 173 1.000 19.33 2.7 100 99 99 99 364 93.4 0.491 0.035 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1064 Mannose 19.3920 1890.4 8.1 scans 96% 73 m/z 0.011% 12.4% 1265 0.2 1509 2416735 122741531 119705574 1-1 20: 73 319 205 147 160 217 103 117 206 133 74 157 129 229 148 75 204 161 189 89 1.000 19.45 -4.8 100 99 98 100 319 576.2 14.619 -0.063 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5319 1901.1 >3 scans 70% TIC 0.069% 0.397% 1278 0.8 414 389314 3.05% 3912035 3719937 30048388 1-0 0.993 19.49 3.3 85 79 88 96 338 78.4 3.604 0.042 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1059 Glucose 19.5919 1905.9 3.2 scans 95% 319 m/z 0.016% 3.72% 1284 0.4 1203 1623166 36699912 35359350 2-1 19: 319 73 205 147 320 160 217 103 321 206 133 117 229 129 157 148 189 204 207 0.996 19.55 3.2 100 99 99 99 376 51.6 0.184 0.040 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1060 Lysine 19.6350 1909.4 >3 scans 46% 174 m/z 1.4% 0.0366% 1288 1.3 124 19209 0.371% 361503 334911 3655066 0-1 18: 174 317 156 318 128 230 175 434 86 100 200 59 88 115 186 154 114 228 0.980 19.69 -4.7 90 88 87 96 479 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1061 Lysine 19.6350 1909.4 >2 scans 78% TIC 0.91% 0.0465% 1288 2.8 161 29395 3.45% 458818 449303 33989160 0-1 0.985 19.61 1.8 81 73 75 96 434 16.5 1.054 0.022 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7308 1917.1 3.0 scans 54% 319 m/z 3.6% 0.00832% 1297 0.9 76 7348 0.0526% 82051 81388 518212 1-0 9: 319 205 147 320 217 307 103 117 321 0.959 19.79 -4.8 84 84 79 88 434 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN N406_R~2-N1016 Galacturonic acid 19.7876 1921.7 2.7 scans 33% 333 m/z 1.7% 0.0106% 1302 1.2 73 15371 0.0169% 104443 104443 166498 0-0 9: 333 160 334 335 364 423 277 274 314 0.893 19.79 -0.4 97 97 94 98 423 9.2 1.576 -0.005 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.3000 1962.9 3.0 scans 80% 73 m/z (204) 0.39% 0.105% 1351 1.1 216 69112 1042326 1014410 1-1 20: 73 147 217 103 218 74 148 189 305 117 149 133 435 75 434 309 245 319 306 291 0.981 20.30 0.4 96 98 95 98 433 23.6 1.193 0.004 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.3000 1962.9 3.0 scans 71% 73 m/z (394) 0.35% 0.0939% 1351 1.1 204 75171 926056 901254 1-1 20: 73 147 217 103 218 74 148 189 305 117 149 133 435 75 434 309 245 319 306 291 0.966 20.41 -9.1 85 87 85 88 217 56.6 7.702 -0.114 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1052 Gluconic acid 2 20.5189 1980.5 2.9 scans 74% 73 m/z 0.55% 0.0721% 1372 0.9 201 49001 0.167% 711102 711102 1645272 0-0 20: 73 292 147 319 217 333 205 305 293 320 103 294 433 334 307 277 435 321 359 74 0.989 20.60 -6.2 95 94 94 94 613 5.5 0.076 -0.078 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1050 Gluconic acid 20.5673 1984.3 >3 scans 79% TIC 1.6% 0.0223% 1376 1.6 106 15983 0.243% 220514 214693 2394019 0-4 0.982 20.65 -6.6 94 94 89 94 613 4.8 0.201 -0.081 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1048 Galactaric acid 21.0818 2026.9 2.8 scans 67% 333 m/z 4.8% 0.00697% 1425 1.1 57 5550 68745 61557 3-1 5: 333 292 334 335 305 0.959 21.15 -5.8 86 87 83 87 627 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN WTF2-N1038 C16:0 21.1450 2032.2 2.7 scans 80% 313 m/z 2.5% 0.0202% 1431 1.3 97 10729 199840 182097 1-11 15: 313 117 75 132 314 129 145 55 57 131 118 74 315 56 201 0.964 20.62 43.9 87 92 89 95 328 10.0 1.072 0.528 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1042 myo-Inositol 21.7205 2080.5 6.8 scans 85% 217 m/z (434) 0.014% 9.67% 1486 0.2 1424 1875423 95274997 95152745 1-0 20: 217 73 147 191 306 319 265 204 218 307 320 133 129 148 192 219 393 74 221 266 0.982 21.77 -4.6 94 93 96 99 318 375.6 6.969 -0.054 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.7205 2080.5 6.8 scans 98% 217 m/z 0.012% 11.2% 1486 0.2 1536 2128507 110465577 110323832 1-0 20: 217 73 147 191 306 319 265 204 218 307 320 133 129 148 192 219 393 74 221 266 1.000 21.75 -2.4 100 99 99 99 507 114.6 0.558 -0.029 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1044 myo-Inositol 21.7279 2081.2 6.9 scans 39% 318 m/z (217) 0.015% 4.17% 1487 0.2 922 1756711 41123920 41116255 1-0 20: 318 367 291 292 343 369 230 379 392 331 344 271 278 378 329 396 391 380 209 280 0.880 21.77 -3.2 82 86 80 92 612 22.1 0.000 -0.039 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8615 2092.4 3.4 scans 85% 319 m/z 0.71% 0.0683% 1499 1.1 166 37917 5.91% 673652 661649 58224910 3-0 20: 319 73 205 147 320 103 217 321 262 206 117 133 74 204 129 148 89 75 263 207 0.949 21.93 -5.7 95 93 95 97 656 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1940 2121.1 2.5 scans 94% 396 m/z 0.27% 0.183% 1531 1.0 305 98767 0.204% 1811417 1627032 2009794 2-4 20: 396 73 219 397 381 319 398 220 191 307 205 147 382 293 75 103 249 74 320 217 0.999 22.19 0.6 94 90 88 100 396 117.2 14.733 0.008 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6580 2161.7 3.5 scans 88% 204 m/z 0.66% 0.0532% 1575 1.6 144 40509 0.109% 524641 487573 1073860 2-0 20: 204 73 205 147 249 217 206 131 117 361 191 74 145 250 129 75 149 218 133 103 0.994 22.71 -4.8 96 94 95 99 518 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN BRA4_R~4-N1012 Spermidine 22.8979 2182.6 5.2 scans 41% TIC 13% 0.00259% 1598 2.7 33 1951 0.0118% 25557 25557 116253 0-0 0.760 22.90 -0.2 92 95 90 96 418 4.4 1.740 -0.002 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN WTF2-N1036 C18:0 23.3903 2226.8 3.4 scans 64% 341 m/z 4.8% 0.0171% 1645 2.0 74 5585 0.0208% 169277 150574 204920 2-3 10: 341 117 342 132 145 129 356 57 55 343 0.824 22.89 45.0 87 94 86 94 356 9.8 1.744 0.501 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1164 2293.2 2.8 scans 58% TIC 6.4% 0.00256% 1714 1.0 42 4160 0.0533% 25282 25282 525108 0-0 0.917 24.01 9.7 88 89 79 88 490 0.0 0.000 0.106 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6467 2343.3 3.2 scans 92% TIC 0.26% 0.245% 1764 0.5 287 101489 2423193 2365642 3-1 0.974 24.65 -0.3 98 97 96 99 466 16.8 0.344 -0.003 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7382 2352.0 2.7 scans 92% 73 m/z 0.45% 0.112% 1773 1.0 236 59582 0.294% 1103655 1027315 2896468 2-0 20: 73 204 217 147 375 292 305 103 219 218 205 451 233 129 293 75 306 376 333 74 0.997 24.81 -6.4 98 97 97 97 451 27.0 1.309 -0.067 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3502 2510.0 2.7 scans 91% 204 m/z 0.30% 0.115% 1926 1.1 236 89372 0.246% 1141035 1007733 2423575 4-1 20: 204 73 147 205 495 217 206 117 496 129 273 363 130 74 131 497 231 103 115 191 0.999 26.35 0.0 98 97 97 97 495 42.8 3.282 0.000 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5290 2528.5 2.7 scans 28% 512 m/z 2.6% 0.0155% 1943 1.0 87 10169 152984 143599 1-1 18: 512 455 513 247 456 483 514 57 457 423 263 248 349 235 249 484 515 409 0.893 26.57 -4.6 94 94 60 94 512 37.8 18.959 -0.044 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN WTF2-N1032 Sucrose 26.6458 2540.6 2.8 scans 44% 361 m/z 15% 0.00212% 1954 1.0 35 1711 20968 20968 0-0 4: 361 437 273 217 0.830 26.87 -23.1 80 84 66 83 451 4.8 1.884 -0.224 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1010 Sucrose 27.4045 2619.6 8.8 scans 100% 437 m/z 0.0083% 12.4% 2026 1.3 1438 3255031 122230273 122042215 1-0 20: 437 451 438 439 453 440 332 141 241 293 265 335 463 467 393 449 565 294 377 517 0.997 27.58 -18.6 100 99 98 99 437 279.5 3.804 -0.175 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1020 Sucrose 27.4045 2619.6 8.8 scans 9.7% 437 m/z (361) 0.048% 1.21% 2026 1.3 446 560916 11961297 11942894 1-0 20: 437 451 438 439 453 440 332 141 241 293 265 335 463 467 393 449 565 294 377 517 0.805 27.46 -6.0 94 97 94 98 437 280.5 39.707 -0.057 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1018 Sucrose 27.4087 2620.0 8.8 scans 50% 362 m/z (73) 0.0083% 6.50% 2026 1.2 1021 3255031 64080519 63614299 1-0 20: 362 359 331 453 365 291 170 332 259 141 175 435 109 333 274 241 220 232 275 263 0.864 27.47 -6.5 91 95 57 93 437 280.5 7.601 -0.061 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1014 Sucrose 27.4181 2621.0 8.8 scans 94% 217 m/z 0.0083% 10.5% 2027 0.7 1405 3255031 12.2% 103783594 99961937 120193553 1-0 20: 217 218 191 204 272 205 230 245 305 321 244 171 424 192 345 233 309 161 172 277 1.000 27.49 -7.7 100 100 99 100 437 280.5 4.018 -0.072 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1008 Sucrose 27.4518 2624.6 8.7 scans 99% 73 m/z 0.0090% 12.0% 2031 0.1 1424 2983905 118460042 116037026 1-1 20: 73 217 147 103 271 129 169 243 218 191 74 117 133 75 219 331 189 272 230 205 1.000 27.59 -14.9 100 99 97 99 437 256.3 3.261 -0.139 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN LQC1-N1006 Trehalose 28.3704 2723.9 3.2 scans 36% 361 m/z 10% 0.00216% 2118 1.1 30 2602 0.00848% 21340 21340 83544 0-0 2: 361 362 0.831 28.47 -11.0 85 88 63 87 565 0.0 0.000 -0.098 G:\GCMS data\Nicotiana Panel polar\N407_REP6.FIN GUA35_L1-N1020 Galactinol 30.1739 2928.2 3.1 scans 91% 204 m/z 1.9% 0.0168% 2289 1.4 83 13758 0.0221% 165630 158494 217728 0-1 13: 204 73 205 217 191 147 206 305 361 129 103 343 74 0.996 30.55 -44.2 88 93 92 94 641 6.4 0.595 -0.371 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN EXBLK5S-N1006 Contamination 6.5888 1061.2 3.3 scans 68% TIC 1.3% 0.0282% 48 2.1 94 18913 0.141% 185121 163397 925216 1-2 0.962 6.63 -2.1 98 97 92 98 295 29.6 9.846 -0.036 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1194 Alanine 7.3885 1108.6 6.5 scans 68% 116 m/z 1.5% 0.0320% 124 0.4 76 15605 0.0409% 210211 210211 268378 0-0 3: 116 117 190 0.971 7.40 -0.9 95 94 90 94 283 0.0 0.000 -0.015 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN A-KETO~2-N1006 Contamination?? 7.8830 1137.9 2.5 scans 74% 156 m/z 2.5% 0.0135% 171 1.1 73 9740 0.0176% 89231 78059 115488 7-3 7: 156 75 55 157 54 76 61 0.990 7.96 -4.3 98 98 96 98 156 40.1 30.071 -0.074 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1192 Contamination 7.9662 1142.8 2.6 scans 79% 147 m/z 3.2% 0.0158% 179 1.2 79 7629 0.0512% 103892 102910 335965 2-0 16: 147 73 133 235 220 148 59 152 86 146 72 89 160 103 74 100 0.983 7.99 -1.4 97 97 93 97 235 16.0 4.077 -0.023 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN WTF2-N1026 Cadaverine NC 8.1829 1155.7 3.0 scans 88% 174 m/z 0.80% 0.0605% 199 1.3 125 30727 0.0751% 397164 319275 492792 3-6 20: 174 73 216 175 142 86 160 130 100 176 217 131 143 74 161 101 158 231 87 172 0.999 7.74 26.5 95 94 92 99 216 29.2 5.461 0.447 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1188 Contamination 8.3713 1166.8 4.1 scans 75% 281 m/z 1.4% 0.0442% 217 1.2 98 16608 290455 231757 6-11 11: 281 369 147 282 283 370 265 148 284 267 205 0.895 8.41 -2.6 100 99 98 99 369 31.0 9.960 -0.044 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1190 Contamination 8.4449 1171.2 2.6 scans 73% 73 m/z 2.7% 0.0125% 224 1.2 74 9167 0.0256% 82567 82023 167983 0-2 14: 73 140 198 211 77 69 186 70 215 170 74 92 126 113 0.973 8.48 -2.3 95 94 90 95 309 7.3 0.987 -0.039 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1186 Phosphate 8.5281 1176.1 2.3 scans 81% 241 m/z 1.4% 0.0154% 232 1.1 84 16966 101230 100676 0-2 11: 241 242 211 163 133 243 256 195 135 137 98 0.989 8.56 -1.9 98 97 93 98 299 0.0 0.000 -0.033 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1184 Valine 9.1562 1213.2 3.1 scans 90% 144 m/z 0.61% 0.0553% 292 0.8 133 40367 0.0651% 363415 333998 427174 5-5 17: 144 73 218 145 147 100 219 74 220 59 133 128 114 246 148 72 129 0.996 9.19 -1.8 99 98 98 99 218 39.1 8.572 -0.032 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1180 Benzoic acid 9.7244 1246.4 3.1 scans 83% TIC 2.1% 0.0214% 346 1.1 83 11717 0.0257% 140990 135107 168639 4-1 0.951 9.76 -2.1 98 98 92 98 194 12.9 2.430 -0.035 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1178 Ethanolamine 9.9917 1262.1 3.2 scans 80% 174 m/z 1.3% 0.0234% 371 1.2 89 18632 0.156% 154026 153840 1023643 1-0 12: 174 175 100 147 86 176 133 262 59 130 114 74 0.982 10.03 -2.4 97 97 93 97 262 11.1 1.534 -0.042 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN VEN77_S6-N1002 Glycerol 10.0748 1266.9 2.9 scans 96% TIC 0.017% 1.72% 379 0.8 785 1439882 11313394 10947369 1-2 0.985 10.09 -1.1 100 99 96 100 299 487.4 38.763 -0.019 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2326 1276.2 2.4 scans 91% 73 m/z 0.68% 0.0428% 394 1.2 135 36289 281436 265243 1-1 19: 73 198 77 211 199 70 239 74 289 72 212 381 92 143 63 170 142 56 261 0.998 10.24 -0.4 99 98 97 98 381 14.1 1.088 -0.007 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1176 Isoleucine 10.4220 1287.2 2.8 scans 90% TIC 0.73% 0.0417% 412 1.4 124 33937 0.838% 273730 259569 5498803 4-0 0.997 10.46 -2.2 99 97 96 99 260 9.7 0.613 -0.037 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1012 Proline 10.5072 1292.2 2.7 scans 93% 142 m/z 0.099% 0.219% 420 1.1 294 250358 0.690% 1441136 1362932 4527654 3-0 20: 142 73 143 216 147 144 74 59 75 72 217 66 100 133 148 244 218 170 70 80 0.996 10.53 -1.6 99 98 98 100 216 54.9 3.486 -0.026 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5935 1297.3 2.8 scans 96% TIC 0.053% 0.581% 428 0.7 456 461470 0.854% 3818861 3615055 5603792 0-5 0.999 10.60 -0.5 99 98 98 99 245 104.5 5.257 -0.008 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1170 Glycine 10.6409 1300.1 >3 scans 55% TIC 3.5% 0.00419% 433 1.7 55 6981 1.18% 27555 27555 7742944 0-0 0.991 10.69 -2.7 91 91 84 91 276 9.2 2.787 -0.046 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7355 1305.8 2.6 scans 95% 147 m/z 0.027% 1.11% 442 0.7 639 898390 7283656 6608441 1-2 20: 147 73 251 148 76 149 58 132 74 133 252 177 150 75 176 59 118 175 131 72 0.995 10.76 -1.3 99 97 96 99 251 154.2 5.838 -0.022 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1168 Glyceric acid 11.0091 1322.2 2.5 scans 96% 73 m/z 0.33% 0.150% 468 1.0 250 74514 988448 942610 1-4 20: 73 147 292 189 133 103 205 293 117 102 190 148 307 75 74 294 149 59 217 101 0.997 11.05 -2.7 100 99 99 99 292 76.8 9.469 -0.045 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0680 1325.8 >3 scans 63% TIC 10% 0.00469% 473 1.2 46 2391 0.116% 30782 30498 761171 0-1 0.959 11.06 0.3 94 96 86 96 285 15.3 11.176 0.005 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1018 Uracil 11.1291 1329.4 2.6 scans 64% 241 m/z 9.4% 0.00465% 479 1.6 42 2637 30541 28254 1-1 5: 241 256 255 99 242 0.992 11.15 -1.2 96 97 91 99 256 14.7 12.395 -0.019 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1164 Itaconic acid 11.2090 1334.3 2.6 scans 81% TIC 2.8% 0.0102% 487 0.7 66 8768 0.0139% 67087 62966 91209 0-1 0.981 11.25 -2.6 88 85 87 93 259 13.6 4.181 -0.043 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1162 Fumaric acid 11.3574 1343.2 2.4 scans 96% 245 m/z 0.094% 0.315% 501 0.9 368 263243 2072863 1958235 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 74 155 53 84 59 61 157 58 1.000 11.39 -2.1 100 99 99 99 245 208.4 32.081 -0.036 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4521 1348.9 3.0 scans 31% 57 m/z (84) 1.5% 0.0294% 510 1.2 99 16229 0.0355% 193039 176701 232945 1-0 19: 57 145 115 97 55 127 69 56 129 111 109 83 59 128 67 58 71 146 98 0.911 11.45 0.4 85 84 91 98 145 29.5 8.935 0.006 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4605 1349.4 2.9 scans 71% 84 m/z (57 204) 0.57% 0.0696% 511 1.4 148 43418 457130 438815 1-3 20: 84 133 161 162 92 119 51 65 118 85 82 78 63 130 91 64 120 104 81 52 0.975 10.96 30.4 91 97 94 98 161 37.4 6.356 0.505 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1020 Serine 11.5026 1351.9 2.7 scans 93% TIC 0.31% 0.165% 515 0.9 239 79277 0.236% 1085224 981763 1548589 0-2 0.990 11.51 -0.7 100 99 98 99 306 25.8 1.171 -0.010 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN BRA4_R~2-N1008 Thymine 11.5878 1357.1 2.7 scans 37% 255 m/z 9.2% 0.00187% 523 1.2 27 2699 12286 12286 0-0 3: 255 270 256 0.643 11.58 0.3 95 98 76 98 270 10.5 15.440 0.004 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7183 1364.9 >4 scans 67% TIC 4.8% 0.0118% 535 0.9 58 5093 0.0209% 77788 70478 137142 0-3 0.915 11.79 -4.0 88 89 86 89 262 5.8 1.014 -0.067 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1024 Threonine 11.9130 1376.6 2.6 scans 94% 73 m/z 0.51% 0.103% 554 1.1 202 47998 680727 639436 1-2 20: 73 218 219 117 291 292 101 220 147 57 75 100 293 74 203 128 202 132 133 221 0.995 11.92 -0.5 100 99 99 99 320 19.3 0.907 -0.008 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2777 1461.5 >3 scans 91% TIC 1.2% 0.0453% 683 1.3 125 19762 0.0999% 297612 297062 655526 1-0 0.994 13.31 -1.8 97 97 94 97 349 15.1 1.444 -0.028 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1148 Glutamine?? 13.3113 1463.6 5.6 scans 88% TIC 0.56% 0.0575% 687 1.1 143 43681 0.0964% 377740 366692 632559 0-1 0.995 13.35 -2.3 94 91 95 98 257 12.7 0.785 -0.036 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1146 Malic acid 13.6080 1482.3 6.3 scans 98% TIC 0.0098% 11.2% 715 0.2 1402 2514206 73854613 73719645 2-0 0.999 13.62 -0.5 100 100 100 100 350 39.2 0.078 -0.009 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1142 Erythritol/Threitol 13.7185 1489.3 3.1 scans 84% TIC 2.2% 0.0226% 725 1.5 94 10845 9.88% 148411 148411 64830752 0-0 0.968 13.89 -10.8 96 96 93 96 320 7.8 0.681 -0.171 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1144 Contamination Parabanica acid 13.7827 1493.3 4.4 scans 59% TIC 4.0% 0.00998% 731 0.9 79 6104 6.90% 65504 65504 45276537 0-0 0.972 13.81 -1.5 95 95 91 95 243 31.2 15.701 -0.023 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1140 Aspartic acid 14.0310 1509.4 2.5 scans 45% 232 m/z (156) 0.50% 0.0573% 755 1.4 150 49495 376640 357095 1-1 17: 232 233 218 100 234 202 188 219 216 334 130 220 292 204 189 203 235 0.812 14.09 -3.7 94 97 65 96 349 10.5 0.489 -0.056 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1028 Aspartic acid 14.0310 1509.4 2.5 scans 36% 232 m/z 0.50% 0.0454% 755 1.4 135 49582 298071 282603 1-1 17: 232 233 218 100 234 202 188 219 216 334 130 220 292 204 189 203 235 0.905 14.02 0.9 95 96 83 97 258 5.0 0.000 0.014 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0647 1511.7 3.3 scans 93% TIC 0.085% 0.470% 758 0.5 363 291153 3090557 2793024 2-1 0.991 14.11 -3.0 98 96 97 99 273 15.6 0.184 -0.045 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1032 GABA 14.1973 1520.4 2.6 scans 80% 174 m/z 0.16% 0.188% 771 1.0 291 152261 0.233% 1234466 1234466 1528903 0-0 16: 174 304 147 175 305 176 86 75 216 306 246 100 172 133 130 148 0.989 14.19 0.6 98 98 94 97 304 98.2 11.373 0.009 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3635 1531.5 2.7 scans 90% TIC 0.77% 0.0757% 787 0.7 159 32138 0.667% 496809 425428 4376732 3-9 0.994 14.62 -17.1 98 97 96 97 409 13.9 0.763 -0.257 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6171 1548.3 2.4 scans 97% 73 m/z 0.082% 0.578% 811 0.9 498 301403 3796672 3768490 1-0 20: 73 292 147 220 205 293 217 117 103 221 294 148 133 319 74 291 149 75 206 102 0.997 14.69 -4.9 100 99 99 99 409 38.3 0.591 -0.075 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1126 Pyrazine 15.0738 1578.6 3.0 scans 57% TIC 4.7% 0.00902% 854 1.1 58 5252 59234 56377 0-1 0.754 15.13 -3.8 91 91 80 93 344 17.3 8.824 -0.058 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3852 1599.2 2.6 scans 71% 217 m/z 1.3% 0.0158% 884 1.1 85 17976 0.0261% 103987 103987 171263 0-0 7: 217 218 219 230 103 215 129 0.970 15.44 -3.8 94 94 91 94 393 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1120 Glutamic acid 15.5062 1607.6 2.5 scans 87% 246 m/z 1.0% 0.0363% 895 1.1 122 24782 0.0553% 238618 222745 362868 1-1 20: 246 73 247 128 147 348 75 248 363 230 156 100 56 84 74 349 149 129 258 249 0.993 15.56 -3.7 98 97 95 97 363 13.6 1.247 -0.054 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1118 Phenylalanine 15.6104 1614.8 2.7 scans 75% 218 m/z 0.99% 0.0454% 905 1.2 132 24910 298271 294022 0-1 11: 218 192 219 100 91 220 65 132 294 72 160 0.926 15.66 -3.4 93 95 85 96 294 9.3 0.494 -0.049 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1042 Ribose 15.8934 1634.5 2.8 scans 84% 73 m/z 1.2% 0.0443% 932 1.7 123 19711 0.0912% 290864 269753 598438 2-1 20: 73 103 217 307 147 308 218 277 89 189 309 160 233 74 133 219 104 117 75 105 0.981 16.10 -14.5 92 91 91 94 307 35.2 8.259 -0.210 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1040 Xylose 16.0092 1642.5 2.5 scans 93% 73 m/z 0.25% 0.188% 943 1.0 284 98661 1237939 1202887 1-1 20: 73 103 217 307 147 308 189 160 277 218 133 74 309 104 117 204 205 89 75 234 0.982 16.00 0.4 94 92 95 98 307 82.0 8.331 0.005 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1108 Ribose 16.1070 1649.3 2.7 scans 85% 73 m/z 0.82% 0.0678% 952 1.3 156 29987 0.279% 445432 397155 1830747 2-0 20: 73 103 217 307 147 308 218 189 160 277 74 309 133 205 89 117 104 204 148 75 0.993 16.38 -18.6 94 93 92 96 467 0.0 0.000 -0.268 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.2312 1657.9 2.9 scans 41% 290 m/z 3.4% 0.00590% 964 1.8 43 7208 38736 38736 0-1 4: 290 291 392 292 0.945 16.28 -3.2 90 89 57 93 392 9.8 5.059 -0.045 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6184 1684.8 2.6 scans 90% 73 m/z 0.92% 0.0563% 1001 1.1 157 26822 0.0747% 369441 369038 490168 1-0 20: 73 307 319 217 147 103 308 320 205 306 129 218 321 277 309 74 243 189 117 157 0.999 16.68 -4.0 99 99 98 99 497 3.9 0.063 -0.058 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1104 Rhamnose 16.8793 1703.1 2.9 scans 72% TIC 2.7% 0.0166% 1026 0.8 78 8889 0.0849% 109069 97262 557098 2-0 0.940 16.93 -3.8 84 86 83 87 392 8.4 1.158 -0.053 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9340 1707.1 3.2 scans 64% 73 m/z 2.8% 0.0159% 1031 1.2 85 8840 0.133% 104826 104826 872722 0-0 13: 73 217 246 319 318 147 205 103 218 270 129 189 148 0.931 16.99 -4.0 88 88 85 90 422 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9993 1711.8 3.1 scans 84% TIC 1.2% 0.0498% 1037 1.4 130 19899 0.224% 327258 327258 1469847 0-0 0.969 17.06 -4.7 95 94 91 95 510 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1096 Putrescine 17.1929 1726.0 3.0 scans 54% 174 m/z 1.7% 0.0139% 1055 1.0 68 14529 91510 88879 1-1 10: 174 175 214 200 172 86 176 100 361 130 0.992 17.25 -4.0 96 96 95 96 458 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1044 Putrescine 17.1929 1726.0 3.0 scans 68% 174 m/z (217) 1.7% 0.0177% 1055 1.0 77 14550 116578 113227 1-1 10: 174 175 214 200 172 86 176 100 361 130 0.951 17.19 0.4 92 93 90 96 376 5.8 0.575 0.005 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3823 1739.8 3.2 scans 84% TIC 1.5% 0.0433% 1074 1.5 120 16148 0.354% 284278 283108 2322883 1-0 0.990 17.44 -4.5 97 97 96 97 511 8.4 0.484 -0.061 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5706 1753.5 2.8 scans 93% TIC 0.18% 0.207% 1091 0.9 268 131637 0.361% 1362422 1306633 2368816 0-1 0.999 17.63 -4.5 98 97 97 97 450 38.3 2.046 -0.061 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1088 Glutamine?? 17.6506 1759.4 2.7 scans 44% 156 m/z (117) 1.4% 0.0330% 1099 1.4 112 16793 0.0388% 216881 216881 254598 0-0 12: 156 155 245 347 128 246 158 100 362 139 56 188 0.936 17.73 -5.5 82 87 77 85 511 2.4 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7000 1763.0 >3 scans 63% TIC 1.4% 0.0357% 1104 2.3 146 16839 0.233% 234611 234611 1528903 0-0 0.949 17.70 0.1 95 96 90 96 375 18.6 1.615 0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1086 Fructofuranose 18.0715 1790.1 >6 scans 81% TIC 0.42% 0.204% 1139 2.2 206 59052 0.849% 1343452 1227501 5570983 4-0 0.977 18.13 -4.5 97 97 96 97 437 58.1 7.961 -0.063 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1084 Shikimic acid 18.1335 1794.6 2.8 scans 50% 204 m/z 0.33% 0.0741% 1145 1.1 167 74635 0.0966% 486488 453771 633872 0-5 16: 204 205 357 255 206 372 254 462 358 331 447 282 373 256 265 167 0.804 18.20 -4.6 97 95 90 99 462 17.1 1.052 -0.063 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1046 Shikimic acid 18.1346 1794.7 9.4 scans 62% TIC 0.35% 0.0382% 1145 1.0 186 69867 0.641% 251228 251228 4206125 0-0 0.956 18.13 0.7 94 94 89 96 372 24.2 1.692 0.010 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1082 Citric acid 18.2567 1803.8 2.8 scans 92% TIC 0.14% 0.496% 1157 1.1 412 167873 0.914% 3260451 3097623 5997501 0-5 0.979 18.32 -4.9 99 98 97 99 465 63.9 2.410 -0.064 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.6060 1830.4 4.6 scans 70% TIC 1.7% 0.0405% 1190 0.6 107 14355 0.0456% 266303 263427 299219 0-1 0.909 18.67 -4.9 84 83 84 88 319 16.0 2.256 -0.063 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1076 Pregnane?? 18.7870 1844.2 3.3 scans 97% 345 m/z 0.061% 0.983% 1207 1.3 555 402529 6454835 6443729 0-1 20: 345 73 346 255 147 347 334 204 256 191 435 419 372 74 133 148 239 75 257 348 0.999 18.86 -5.5 100 99 99 99 537 41.9 0.572 -0.071 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1074 Adenine 18.8848 1851.7 2.9 scans 39% 264 m/z 3.8% 0.00529% 1216 1.6 42 6400 0.0727% 34739 32964 477044 3-0 4: 264 279 265 266 0.967 18.94 -4.2 92 92 79 92 415 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1072 Fructose 19.0174 1861.8 7.1 scans 100% 188 m/z 0.012% 12.4% 1229 0.3 1423 1921736 81914993 80053357 1-1 20: 188 393 247 555 126 261 70 82 215 176 60 328 98 321 245 320 570 379 358 141 0.999 19.03 -1.2 100 98 99 100 364 165.4 1.356 -0.016 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1052 Fructose 19.1384 1871.0 5.7 scans 99% 554 m/z 0.015% 9.02% 1240 0.3 1315 1580962 59252918 57747934 1-2 20: 554 279 102 220 311 432 88 367 144 54 331 557 286 98 120 258 314 558 287 315 0.997 19.10 2.6 100 99 99 100 364 159.1 1.467 0.034 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1070 Fructose 19.1468 1871.7 5.7 scans 88% 73 m/z (554) 0.014% 8.47% 1241 0.3 1268 1715246 28.3% 55584665 54213259 185699421 1-5 20: 73 103 308 218 364 89 74 219 148 75 263 365 149 335 201 131 72 333 336 172 0.989 19.19 -3.6 88 90 93 90 554 0.0 0.000 -0.047 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1050 Fructose 19.1500 1871.9 5.6 scans 58% 307 m/z (554) 0.019% 5.48% 1242 0.3 1034 1245833 18.8% 35996749 35255873 123362160 1-4 20: 307 217 147 277 218 205 262 133 189 117 89 148 191 278 204 129 173 365 202 201 0.815 18.98 12.9 88 90 61 89 364 154.1 2.226 0.170 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1068 Galactopyranose 19.2489 1879.5 4.1 scans 16% 204 m/z (319) 0.46% 0.0743% 1251 1.4 144 53862 0.990% 487670 487110 6496199 1-0 3: 204 191 192 0.575 19.32 -5.0 86 93 65 91 435 12.8 0.792 -0.066 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1064 Mannose 19.3657 1888.4 6.5 scans 100% 73 m/z 0.010% 14.0% 1262 0.2 1566 2402510 14.3% 92415838 91494838 93833983 2-0 20: 73 321 103 117 148 74 161 207 218 75 149 89 322 105 59 130 158 365 162 101 0.999 19.45 -6.8 100 99 99 100 319 629.6 16.232 -0.089 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1056 Glucose 19.3709 1888.8 6.3 scans 62% 319 m/z (73) 0.010% 8.63% 1263 0.2 1234 2402510 8.85% 56682968 56461447 58072080 1-0 20: 319 205 147 320 160 217 206 229 133 204 189 129 157 291 307 231 364 277 305 191 0.961 19.33 3.0 92 94 68 94 364 104.5 0.720 0.039 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1062 Glucose 19.5751 1904.6 2.9 scans 97% TIC 0.021% 3.42% 1282 0.5 1075 1133913 3.47% 22466486 22041460 22769505 2-0 0.997 19.66 -6.5 100 99 99 100 319 416.2 15.058 -0.081 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1060 Lysine 19.6277 1908.8 2.9 scans 58% 174 m/z 2.2% 0.0314% 1287 1.1 107 11014 0.171% 206078 193991 1122071 0-1 19: 174 317 156 128 318 230 175 100 86 329 200 176 434 146 88 130 114 231 59 0.973 19.69 -5.3 93 92 80 96 479 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7297 1917.0 3.0 scans 75% 73 m/z 2.1% 0.0222% 1297 0.9 99 11688 0.0878% 146073 146073 576128 0-0 12: 73 319 205 244 147 320 117 321 103 148 133 245 0.981 19.79 -4.9 92 92 90 93 434 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN N406_R~2-N1016 Galacturonic acid 19.7887 1921.8 2.7 scans 13% 333 m/z 14% 0.00142% 1302 0.9 23 1692 9326 9326 0-0 1: 333 0.934 19.79 -0.3 82 85 79 85 423 0.0 0.000 -0.004 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN BRA4_R~2-N1010 Tyrosine 19.8223 1924.5 3.5 scans 78% TIC 0.72% 0.0588% 1305 1.5 132 34034 0.104% 386024 343848 682429 1-0 0.952 19.82 0.4 85 83 71 95 382 13.9 1.106 0.004 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1056 Ascorbic acid 19.9170 1932.1 3.0 scans 55% 332 m/z 4.1% 0.0144% 1314 0.7 69 6024 94899 87012 1-1 4: 332 374 334 359 0.938 19.99 -5.6 90 91 84 91 449 7.7 1.245 -0.069 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2948 1962.4 2.7 scans 93% 204 m/z 0.25% 0.194% 1350 1.1 271 97841 1273766 1253183 0-1 20: 204 191 205 206 192 129 189 133 193 75 148 291 117 149 231 243 59 101 190 72 0.954 20.41 -9.6 97 96 96 97 217 64.2 5.621 -0.119 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2979 1962.7 2.8 scans 59% 73 m/z (204) 0.29% 0.137% 1351 1.1 222 83063 902890 896489 0-1 20: 73 191 147 217 206 192 74 189 218 133 75 203 148 305 435 291 117 149 231 131 0.977 20.30 0.2 85 87 86 87 433 15.5 0.489 0.002 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1054 Gluconic acid 3 20.4684 1976.4 2.8 scans 36% 333 m/z 4.2% 0.00959% 1367 1.0 80 5826 0.0400% 62939 62939 262473 0-0 13: 333 292 334 319 293 423 359 320 435 335 433 277 294 0.930 20.55 -6.5 81 82 68 82 613 0.0 0.000 -0.081 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1052 Gluconic acid 2 20.5199 1980.5 2.8 scans 68% 292 m/z 2.2% 0.0283% 1372 0.8 105 11090 0.0797% 186342 186342 522977 0-0 14: 292 319 333 293 205 277 320 359 294 103 321 435 334 434 0.986 20.60 -6.2 91 91 88 91 613 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN WTF2-N1038 C16:0 21.1460 2032.3 2.9 scans 82% 313 m/z 3.0% 0.0219% 1431 1.3 90 8163 0.0223% 144101 139567 146329 2-4 14: 313 117 73 132 75 129 145 314 55 328 57 131 118 315 0.975 20.62 44.0 86 90 88 94 328 11.2 1.560 0.529 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.7068 2079.4 6.3 scans 95% 507 m/z 0.012% 14.3% 1485 0.3 1574 1929292 93870772 93327251 1-0 12: 507 508 435 420 279 418 522 511 310 112 313 597 1.000 21.75 -3.5 100 99 99 99 507 122.6 0.609 -0.042 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1040 myo-Inositol 21.7184 2080.4 5.4 scans 42% 217 m/z (433 507) 0.013% 5.87% 1486 0.2 1092 1843350 38574088 37564573 1-1 20: 217 305 73 147 318 191 306 265 319 204 218 307 129 133 320 192 432 291 367 219 0.674 21.78 -5.2 87 93 77 95 378 17.9 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1042 myo-Inositol 21.7184 2080.4 5.4 scans 83% 217 m/z (433) 0.013% 11.5% 1486 0.2 1531 1891963 75897271 73910977 1-1 20: 217 305 73 147 318 191 306 265 319 204 218 307 129 133 320 192 432 291 367 219 0.986 21.77 -4.7 96 98 98 98 318 402.4 6.921 -0.056 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8688 2093.0 3.0 scans 96% 319 m/z 0.15% 0.458% 1500 1.2 396 157977 3011412 2925070 1-1 20: 319 73 205 147 320 217 103 321 262 206 117 74 204 229 133 157 148 89 129 207 1.000 21.93 -5.1 96 94 97 99 656 9.2 0.054 -0.061 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1971 2121.4 2.6 scans 94% 396 m/z 0.30% 0.216% 1531 1.1 302 82719 0.279% 1420358 1418538 1830747 1-0 20: 396 73 219 397 381 319 398 191 205 220 307 147 382 249 293 103 74 320 75 217 0.995 22.19 0.9 93 89 87 100 396 116.8 14.920 0.011 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6748 2163.1 3.6 scans 85% 204 m/z 1.4% 0.0332% 1577 1.1 96 16992 0.0572% 217972 199151 375336 1-0 14: 204 73 205 249 217 147 206 131 191 361 218 145 117 129 0.993 22.71 -3.4 96 95 95 97 518 0.0 0.000 -0.039 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN WTF2-N1036 C18:0 23.3966 2227.4 2.8 scans 81% 341 m/z 3.5% 0.0181% 1645 1.4 79 6919 0.0205% 118956 108511 134517 1-3 13: 341 117 75 342 132 129 145 356 57 55 69 343 201 0.991 22.89 45.6 87 93 86 93 356 12.0 2.293 0.508 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN BRA4_R~2-N1006 Spermidine 23.5113 2237.9 3.2 scans 75% TIC 4.3% 0.0219% 1656 1.1 77 5679 0.0404% 144320 126008 265097 2-7 0.949 23.51 0.2 90 87 95 98 490 6.2 0.648 0.002 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1024 Glycerolgalactose 24.1227 2293.8 2.5 scans 87% 204 m/z 0.88% 0.0463% 1714 1.1 134 28171 0.0854% 304297 264417 560379 2-4 20: 204 73 147 337 205 217 103 129 206 218 338 219 191 339 361 101 203 133 149 74 0.996 24.18 -5.3 93 91 93 95 581 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6509 2343.7 3.8 scans 91% 73 m/z 0.53% 0.157% 1764 1.2 215 46088 0.195% 1035202 1027708 1279554 0-1 20: 73 331 217 147 307 421 191 262 205 103 332 319 422 305 333 259 308 218 148 192 0.968 24.65 0.1 98 98 96 98 466 13.4 0.385 0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7435 2352.5 2.6 scans 92% 73 m/z 1.2% 0.0576% 1773 1.2 151 20639 378119 358476 0-3 20: 73 217 204 292 147 305 103 219 218 451 205 129 376 293 363 131 294 233 306 275 0.997 24.81 -5.9 95 95 94 94 451 18.7 1.533 -0.062 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3544 2510.5 2.6 scans 94% 204 m/z 0.49% 0.0882% 1926 1.2 185 50130 0.133% 579376 548871 872722 1-2 20: 204 73 205 147 495 217 206 496 117 273 130 363 129 189 131 74 103 319 143 115 0.998 26.35 0.5 96 95 95 95 495 35.8 3.752 0.004 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5332 2529.0 2.8 scans 73% 512 m/z 2.2% 0.0316% 1943 1.0 108 11249 207602 207602 0-0 19: 512 455 513 247 456 514 57 483 349 457 248 484 497 423 515 235 409 249 498 0.990 26.57 -4.1 96 95 84 95 512 43.1 15.913 -0.040 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9005 2566.9 2.8 scans 51% 371 m/z 4.4% 0.00810% 1978 1.2 54 5588 53178 51839 0-1 10: 371 372 55 459 57 373 203 239 101 71 0.932 26.39 52.3 83 91 65 91 459 9.5 3.040 0.506 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1010 Sucrose 27.4118 2620.4 7.0 scans 98% 437 m/z 0.0078% 14.5% 2027 0.8 1520 3174604 95363719 93719410 1-1 17: 437 451 439 452 453 359 450 322 441 118 455 311 239 336 406 380 224 0.997 27.58 -17.8 100 99 98 99 437 302.7 3.993 -0.167 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1020 Sucrose 27.4118 2620.4 7.0 scans 9.8% 437 m/z (361) 0.044% 1.47% 2027 0.8 481 553503 9669764 9503033 1-1 17: 437 451 439 452 453 359 450 322 441 118 455 311 239 336 406 380 224 0.901 27.46 -5.2 95 96 95 99 437 302.2 39.581 -0.049 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1018 Sucrose 27.4171 2620.9 6.6 scans 48% 362 m/z (73) 0.0077% 7.05% 2027 0.3 1070 3207767 46278139 45305385 1-1 17: 362 363 364 321 306 435 307 260 434 227 433 379 179 381 391 301 286 0.935 27.47 -5.6 87 90 55 89 437 304.6 8.163 -0.053 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1016 Sucrose 27.4318 2622.5 6.1 scans 50% 73 m/z (362) 0.015% 6.87% 2029 0.3 1113 1598745 45134097 44213800 1-1 20: 73 217 147 103 169 271 129 218 243 191 319 74 75 219 133 117 148 189 272 149 0.971 27.48 -4.8 90 92 95 94 437 17.0 0.000 -0.045 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1008 Sucrose 27.4318 2622.5 6.1 scans 100% 73 m/z 0.0077% 13.4% 2029 0.3 1566 3207767 88188279 86390095 1-1 20: 73 217 147 103 169 271 129 218 243 191 319 74 75 219 133 117 148 189 272 149 0.998 27.59 -17.0 100 99 98 99 437 299.0 3.668 -0.159 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN LQC1-N1006 Trehalose 28.3714 2724.0 3.3 scans 47% 361 m/z 7.3% 0.00460% 2118 1.0 39 3358 0.0307% 30234 30156 201448 0-1 4: 361 362 363 191 0.899 28.47 -10.9 87 89 62 88 565 0.0 0.000 -0.097 G:\GCMS data\Nicotiana Panel polar\N419_REP1.FIN GUA35_L1-N1020 Galactinol 30.6105 2980.1 2.8 scans 91% TIC 1.2% 0.0309% 2331 1.0 109 20154 0.0398% 203038 203038 261160 0-0 0.999 30.55 7.7 82 81 91 82 641 0.0 0.000 0.066 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN EXBLK5S-N1006 Contamination 6.5719 1060.2 7.2 scans 48% 207 m/z 1.8% 0.0526% 46 1.2 78 14324 0.0658% 468616 256313 586106 5-13 11: 207 295 181 112 208 209 191 296 279 69 297 0.918 6.63 -3.1 95 95 84 96 295 25.2 10.355 -0.053 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.8223 1075.0 16.4 scans 46% 147 m/z (143) 6.8% 0.0245% 70 0.1 46 3965 218797 218797 0-0 2: 147 117 0.804 6.82 0.1 85 85 80 96 295 2.8 0.000 0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1194 Alanine 7.4200 1110.4 11.4 scans 36% 116 m/z 3.6% 0.0136% 127 0.5 48 7389 0.0289% 121258 121258 257423 0-0 2: 116 73 0.783 7.40 0.9 91 93 74 92 283 0.0 0.000 0.016 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN A-KETO~2-N1006 Contamination?? 7.9251 1140.4 2.8 scans 80% 156 m/z 1.6% 0.0187% 175 1.1 93 16795 0.0222% 167054 154752 197744 5-1 8: 156 75 55 157 54 61 76 158 0.985 7.96 -1.8 99 99 97 99 156 50.8 29.644 -0.032 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1192 Contamination 8.0061 1145.2 2.7 scans 81% 73 m/z 2.1% 0.0176% 182 1.0 96 12492 0.0386% 157493 156526 343825 2-0 19: 73 147 133 235 220 148 146 59 103 100 89 86 72 74 160 134 149 131 70 0.985 7.99 1.0 98 97 97 99 235 18.6 3.707 0.017 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN WTF2-N1026 Cadaverine NC 8.1723 1155.0 4.4 scans 69% TIC 2.4% 0.0134% 198 1.1 70 10938 0.101% 119776 119776 899646 0-0 0.966 7.74 25.8 92 93 82 97 216 16.2 5.395 0.436 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1188 Contamination 8.3628 1166.3 5.3 scans 81% 281 m/z 1.5% 0.0481% 216 1.5 104 17081 0.0552% 429251 322334 491688 5-0 14: 281 147 369 73 282 370 265 283 371 249 266 193 207 250 0.987 8.41 -3.1 99 98 85 99 369 30.1 8.397 -0.052 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1190 Contamination 8.4638 1172.3 3.0 scans 78% TIC 2.3% 0.0122% 226 1.2 78 11568 0.0692% 108811 107773 616391 0-1 0.985 8.48 -1.2 92 92 90 93 309 6.3 0.663 -0.020 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1186 Phosphate 8.5606 1178.0 2.5 scans 74% 241 m/z 1.9% 0.0103% 235 1.1 74 13676 92169 89683 0-4 12: 241 242 163 211 133 243 256 135 195 98 59 212 0.962 8.56 0.0 94 93 87 97 299 0.0 0.000 -0.000 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1184 Valine 9.1772 1214.4 4.3 scans 78% 144 m/z 1.3% 0.0251% 294 0.5 86 19606 0.0300% 223776 200182 267222 3-7 8: 144 73 218 145 100 146 219 132 0.965 9.19 -0.6 98 97 92 98 218 26.0 9.194 -0.011 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1180 Benzoic acid 9.7454 1247.7 3.3 scans 72% 179 m/z 4.6% 0.00887% 348 0.9 56 5869 0.00907% 79066 70277 80790 3-0 7: 179 105 135 77 180 194 136 0.954 9.76 -0.8 97 98 92 97 194 9.0 2.561 -0.014 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1178 Ethanolamine 9.9937 1262.2 4.8 scans 85% TIC 1.4% 0.0281% 371 0.8 87 18083 0.919% 250355 223378 8185888 3-0 0.990 10.03 -2.3 97 96 94 98 262 9.8 1.265 -0.040 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN VEN77_S6-N1002 Glycerol 10.0873 1267.7 2.9 scans 96% TIC 0.025% 0.981% 380 0.8 661 1047110 8741718 8689855 0-1 0.985 10.09 -0.3 100 99 97 100 299 401.3 37.011 -0.007 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2452 1276.9 2.9 scans 81% 73 m/z 1.9% 0.0127% 395 1.3 77 13713 113657 113136 0-2 9: 73 198 77 211 199 70 239 74 289 0.980 10.24 0.3 95 94 91 95 381 7.7 0.997 0.005 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1176 Isoleucine 10.4324 1287.9 3.1 scans 67% 158 m/z 1.9% 0.0131% 413 0.9 71 14069 0.0141% 116735 98188 125594 7-2 6: 158 218 159 232 160 219 0.969 10.46 -1.5 98 98 93 98 260 5.1 0.513 -0.027 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1012 Proline 10.5187 1292.9 3.2 scans 91% TIC 0.16% 0.120% 421 0.8 228 163973 1.65% 1074279 1074279 14697187 0-0 0.992 10.53 -0.9 100 99 99 100 216 43.0 3.567 -0.014 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1014 Maleic acid 10.6061 1298.0 2.8 scans 97% TIC 0.056% 0.448% 430 0.7 451 478579 1.72% 3992504 3918624 15320705 2-4 0.996 10.60 0.2 99 98 98 99 245 104.6 5.399 0.004 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1170 Glycine 10.6586 1301.1 3.6 scans 43% 174 m/z (147) 5.1% 0.00483% 434 0.9 43 5274 0.0337% 43068 43068 300179 0-0 7: 174 248 175 176 276 86 249 0.977 10.69 -1.7 83 85 75 88 276 8.4 3.774 -0.028 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7492 1306.6 3.1 scans 96% TIC 0.026% 1.10% 443 0.9 658 1020622 9802905 9481129 1-1 0.991 10.76 -0.5 99 97 96 99 251 154.9 5.566 -0.009 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1168 Glyceric acid 11.0185 1322.8 2.6 scans 95% TIC 0.20% 0.192% 469 1.0 315 129444 0.203% 1710353 1617594 1808199 1-1 0.998 11.05 -2.1 100 99 99 100 292 94.0 8.913 -0.035 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0806 1326.5 2.9 scans 75% TIC 6.2% 0.00615% 475 1.1 58 4335 0.164% 54852 52317 1460811 0-1 0.988 11.06 1.0 96 97 89 97 285 18.0 9.527 0.018 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1018 Uracil 11.1406 1330.1 2.7 scans 62% 241 m/z 8.4% 0.00398% 480 1.4 43 3194 35487 33999 0-6 6: 241 256 99 255 242 113 0.915 11.15 -0.5 95 95 94 99 256 14.9 12.226 -0.007 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1164 Itaconic acid 11.2195 1334.9 2.7 scans 76% TIC 2.6% 0.0112% 488 0.6 70 10024 0.0142% 100534 85567 126485 0-3 0.922 11.25 -2.0 85 82 84 93 259 12.7 3.296 -0.033 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1162 Fumaric acid 11.3668 1343.8 2.5 scans 97% 245 m/z 0.075% 0.332% 502 0.8 418 360138 2958090 2856056 2-1 20: 245 147 73 246 75 143 247 83 133 148 149 155 115 84 53 74 157 59 61 127 1.000 11.39 -1.5 100 99 99 100 245 235.3 31.796 -0.026 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4594 1349.3 3.3 scans 26% 57 m/z (204) 1.7% 0.0211% 511 1.0 88 15218 0.0351% 187951 176961 312649 1-2 13: 57 50 145 97 115 127 56 69 109 129 111 128 71 0.948 11.45 0.8 91 92 95 99 145 26.2 8.878 0.013 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4731 1350.2 3.0 scans 77% 84 m/z 0.47% 0.0590% 512 1.2 161 56936 525894 503436 2-1 19: 84 133 162 161 119 92 82 118 51 65 78 85 63 130 134 91 120 64 104 0.983 10.96 31.2 93 94 97 98 161 39.8 6.121 0.517 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1020 Serine 11.5036 1352.0 >2 scans 83% TIC 0.90% 0.0451% 515 2.5 149 30046 0.400% 402330 377638 3562955 0-2 0.994 11.51 -0.6 97 96 96 99 306 15.5 1.084 -0.009 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1160 Serine 11.5067 1352.2 2.6 scans 76% 204 m/z (84) 0.90% 0.0410% 515 1.2 142 30001 365874 347881 2-1 13: 204 73 218 205 100 219 206 278 220 306 279 216 203 0.978 11.56 -3.0 96 97 94 98 306 15.0 1.116 -0.050 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN BRA4_R~2-N1008 Thymine 11.5930 1357.4 3.0 scans 51% 255 m/z 7.3% 0.00242% 523 1.2 32 3685 21577 21577 0-1 3: 255 256 270 0.866 11.58 0.6 98 99 81 99 270 12.4 14.533 0.009 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1024 Threonine 11.9171 1376.9 2.8 scans 90% TIC 1.0% 0.0490% 554 1.2 145 26695 0.0510% 437167 383275 454277 5-5 0.979 11.92 -0.2 100 99 98 99 320 12.8 0.779 -0.004 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1154 Threonine 11.9171 1376.9 2.7 scans 90% 73 m/z 1.0% 0.0431% 554 1.2 144 25610 384627 366788 1-2 20: 73 218 219 117 291 292 220 101 203 57 100 74 132 293 128 114 133 75 221 320 0.996 11.96 -2.6 98 97 95 98 320 12.8 0.788 -0.043 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2828 1461.8 4.1 scans 81% TIC 0.87% 0.0631% 684 1.1 141 30801 0.0687% 562477 516801 611937 0-1 0.983 13.31 -1.5 99 98 97 98 349 16.4 1.342 -0.023 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1148 Glutamine?? 13.3039 1463.2 2.7 scans 63% 155 m/z (247) 1.2% 0.0203% 686 1.0 98 22541 0.0226% 181666 166852 201307 0-2 7: 155 156 229 139 100 84 103 0.977 13.35 -2.7 90 91 92 96 257 6.9 0.499 -0.043 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1146 Malic acid 13.5974 1481.6 5.5 scans 99% 73 m/z 0.011% 6.94% 714 0.3 1319 2372694 61864343 61803608 1-0 20: 73 147 233 245 189 133 190 75 148 191 74 175 55 149 101 234 307 217 72 59 0.997 13.62 -1.2 100 100 100 100 350 35.8 0.074 -0.020 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1142 Erythritol/Threitol 13.7164 1489.1 2.5 scans 86% TIC 1.4% 0.0263% 725 1.7 122 18450 6.26% 235095 235095 55760239 0-0 0.993 13.89 -11.0 90 86 90 97 320 10.2 0.698 -0.174 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1144 Contamination Parabanica acid 13.7668 1492.3 3.2 scans 32% 115 m/z 18% 0.00249% 730 1.2 31 1456 0.00287% 22234 22234 25564 0-0 2: 115 243 0.928 13.81 -2.5 83 87 65 87 243 14.5 21.423 -0.039 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1140 Aspartic acid 14.0288 1509.3 2.5 scans 27% 232 m/z (156) 0.76% 0.0260% 755 1.3 111 35149 232175 218669 1-2 12: 232 233 218 100 202 188 216 334 292 235 203 221 0.736 14.09 -3.8 88 92 50 91 349 6.9 0.394 -0.058 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1028 Aspartic acid 14.0288 1509.3 2.5 scans 27% 232 m/z 0.76% 0.0256% 755 1.3 111 35450 228395 215109 1-2 12: 232 233 218 100 202 188 216 334 292 235 203 221 0.960 14.02 0.8 92 93 86 96 258 5.4 0.000 0.012 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0573 1511.2 3.0 scans 93% 156 m/z 0.099% 0.275% 758 0.7 336 272965 2453696 2404431 1-0 20: 156 73 147 157 258 230 158 75 74 231 259 59 72 148 140 58 133 121 112 55 0.986 14.11 -3.5 99 97 97 99 273 14.7 0.193 -0.053 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0573 1511.2 3.3 scans 93% TIC 0.10% 0.300% 758 0.6 335 264604 2678554 2625008 1-0 0.987 14.03 1.9 99 97 98 98 258 68.4 4.177 0.027 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1032 GABA 14.1951 1520.3 2.7 scans 84% 174 m/z (226) 0.28% 0.120% 771 1.2 229 96595 0.122% 1072908 975069 1086701 0-5 15: 174 304 147 175 305 86 176 306 216 246 100 172 130 133 148 0.997 14.19 0.5 97 98 97 98 304 74.5 10.563 0.007 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3645 1531.5 2.7 scans 91% TIC 0.54% 0.0865% 787 0.8 192 49736 0.746% 771366 636870 6644910 4-9 0.995 14.62 -17.1 99 98 97 98 409 15.1 0.615 -0.257 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6149 1548.1 2.6 scans 97% TIC 0.11% 0.367% 811 1.0 419 230479 3272359 3209430 0-1 0.993 14.69 -5.1 100 99 99 99 409 31.6 0.569 -0.077 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3841 1599.1 2.7 scans 72% 217 m/z 1.2% 0.0169% 884 1.3 97 21831 0.0232% 150816 150816 206651 0-0 6: 217 218 219 189 230 215 0.933 15.44 -3.9 93 93 90 93 393 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1120 Glutamic acid 15.5040 1607.4 2.5 scans 82% TIC 1.8% 0.0138% 895 0.8 88 14824 123520 121301 1-0 0.988 15.56 -3.9 96 95 90 95 363 9.0 1.053 -0.056 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1118 Phenylalanine 15.6082 1614.7 2.7 scans 60% 218 m/z (328) 1.5% 0.0247% 905 1.1 109 16987 220262 207361 1-1 6: 218 192 219 266 220 294 0.983 15.66 -3.5 89 89 88 93 294 8.4 0.594 -0.051 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1042 Ribose 15.8923 1634.4 3.1 scans 81% 73 m/z 1.1% 0.0431% 932 2.0 125 23502 384107 355132 1-1 20: 73 103 307 217 147 308 189 160 89 277 309 218 219 133 74 233 105 129 104 59 0.945 16.10 -14.6 90 89 88 93 307 34.9 7.836 -0.211 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1040 Xylose 16.0101 1642.6 2.7 scans 91% 73 m/z 0.23% 0.177% 943 1.1 296 113346 1583307 1518664 1-1 20: 73 103 307 217 147 308 189 160 218 277 74 133 309 205 117 75 104 204 89 234 0.967 16.00 0.5 94 91 94 99 307 84.1 8.068 0.006 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1108 Ribose 16.1069 1649.3 2.7 scans 85% 73 m/z 0.80% 0.0546% 952 1.0 159 33450 0.258% 487019 446518 2298106 2-3 20: 73 103 217 307 147 308 277 160 218 189 104 309 89 133 205 117 219 74 148 75 0.992 16.38 -18.6 94 92 93 97 467 0.0 0.000 -0.268 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.2300 1657.9 3.0 scans 38% 290 m/z 4.1% 0.00421% 964 1.9 40 6585 0.00425% 37517 35648 37856 1-2 5: 290 291 292 158 392 0.932 16.28 -3.2 87 90 57 92 392 8.4 4.423 -0.046 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1110 Ribose 16.3226 1664.3 2.8 scans 52% 103 m/z 3.0% 0.0134% 973 0.8 79 9005 119361 117542 1-0 10: 103 307 308 189 277 160 104 309 89 105 0.840 16.38 -3.7 89 90 86 92 467 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6172 1684.7 2.6 scans 89% 73 m/z 0.68% 0.0634% 1001 1.1 186 39372 0.0830% 565217 551057 739313 1-1 20: 73 319 307 147 217 103 308 320 205 129 306 309 321 277 218 229 117 157 189 317 0.998 16.68 -4.1 100 99 98 99 497 4.7 0.065 -0.059 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1104 Rhamnose 16.8761 1702.9 3.1 scans 70% TIC 2.4% 0.0143% 1025 1.0 81 11251 0.0866% 128115 121582 771380 4-0 0.912 16.93 -4.0 84 84 83 87 392 11.5 2.011 -0.056 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9340 1707.1 4.0 scans 70% TIC 2.3% 0.0180% 1031 1.5 98 11643 0.205% 160838 160838 1826014 0-0 0.962 16.99 -4.0 95 95 91 95 422 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0013 1712.0 3.8 scans 79% TIC 1.1% 0.0503% 1037 1.4 138 24069 0.226% 448879 448879 2013069 0-0 0.940 17.06 -4.5 96 96 90 96 510 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1096 Putrescine 17.1928 1726.0 2.9 scans 41% 174 m/z 1.4% 0.0131% 1056 1.2 75 19257 116903 112818 1-1 12: 174 175 214 172 176 86 200 361 100 130 142 173 0.990 17.25 -4.0 97 97 96 97 458 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3864 1740.1 3.8 scans 76% TIC 1.6% 0.0361% 1074 1.3 119 16208 0.406% 322226 322226 3616399 0-0 0.978 17.44 -4.2 97 97 95 97 511 8.8 0.547 -0.057 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5726 1753.7 3.1 scans 93% TIC 0.11% 0.290% 1092 0.7 346 240431 0.456% 2591400 2498703 4061768 1-1 0.994 17.63 -4.3 98 97 97 98 450 43.7 1.596 -0.059 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7052 1763.4 2.9 scans 65% 334 m/z (117) 0.67% 0.0971% 1104 1.0 191 40081 865161 744781 2-10 15: 334 204 256 335 255 375 336 167 285 166 211 376 267 151 241 0.975 17.70 0.5 90 92 91 93 375 22.9 1.436 0.006 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1086 Fructofuranose 18.0703 1790.0 3.4 scans 56% 217 m/z (276) 1.0% 0.0467% 1139 1.5 133 26557 0.0963% 416029 414070 857781 1-0 8: 217 437 438 218 439 257 230 303 0.898 18.13 -4.6 87 87 82 93 437 42.5 10.252 -0.064 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1084 Shikimic acid 18.1345 1794.7 2.9 scans 65% 204 m/z 0.23% 0.116% 1145 1.1 228 113808 1037884 987477 2-2 15: 204 357 206 255 372 254 462 447 358 331 267 282 256 359 283 0.954 18.20 -4.5 93 90 71 99 462 21.0 0.848 -0.062 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1046 Shikimic acid 18.1356 1794.8 6.9 scans 83% TIC 0.24% 0.193% 1145 2.1 257 112727 0.521% 1719518 1719518 4640748 0-0 0.946 18.13 0.8 96 95 93 99 372 29.9 1.347 0.011 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1082 Citric acid 18.2524 1803.5 2.8 scans 76% 273 m/z 0.53% 0.103% 1156 1.2 219 50289 923299 892038 1-3 15: 273 363 375 347 274 465 211 275 376 348 364 221 466 257 183 0.976 18.32 -5.2 97 97 91 97 465 34.9 2.548 -0.069 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1076 Pregnane?? 18.7900 1844.5 4.6 scans 97% 345 m/z 0.059% 1.16% 1207 1.8 572 458264 10392431 10229890 1-1 20: 345 73 346 255 147 347 256 204 334 191 419 435 372 257 133 348 74 239 148 537 0.999 18.86 -5.2 100 100 99 100 537 44.0 0.592 -0.068 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1074 Adenine 18.8847 1851.7 3.2 scans 31% 264 m/z 3.2% 0.00518% 1216 1.5 46 8317 0.156% 46153 45949 1389552 1-0 5: 264 265 279 266 280 0.982 18.94 -4.2 90 90 78 91 415 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1050 Fructose 19.0142 1861.6 >7 scans 97% 73 m/z 0.013% 10.7% 1229 0.5 1410 2025729 24.2% 96168893 94510320 215558750 1-0 20: 73 307 217 147 308 218 133 309 364 189 205 74 117 219 148 191 278 173 263 129 0.997 18.98 2.6 100 99 99 99 364 163.9 1.357 0.034 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1072 Fructose 19.0510 1864.4 >3 scans 100% 366 m/z 0.013% 4.37% 1232 1.1 1422 2077688 13.9% 39002909 39002909 123812670 0-0 20: 366 232 569 311 320 258 465 178 290 391 331 86 352 492 317 266 194 223 209 432 1.000 19.03 1.4 100 98 99 99 364 165.5 1.360 0.018 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1052 Fructose 19.1657 1873.1 7.4 scans 98% 336 m/z 0.014% 9.74% 1243 0.5 1378 1824407 25.1% 86840125 85690748 223575397 0-5 20: 336 310 244 555 214 432 434 448 270 176 187 338 557 391 352 111 393 140 81 165 0.995 19.10 4.7 100 99 98 99 364 167.9 1.488 0.062 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1056 Glucose 19.3761 1889.2 8.7 scans 75% 364 m/z 0.012% 8.97% 1263 0.5 1317 2117818 10.9% 79901788 75279814 97090511 4-0 17: 364 305 292 128 293 174 263 309 209 265 259 150 82 333 480 330 405 1.000 19.33 3.4 100 99 98 99 364 99.2 0.570 0.044 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1066 Glucose 19.3835 1889.7 >7 scans 54% 319 m/z (364) 0.011% 7.33% 1264 0.3 1137 2293720 8.51% 65377769 60874185 75801858 9-0 8: 319 321 291 322 323 448 409 420 0.917 19.40 -1.2 89 90 83 93 319 593.9 27.377 -0.016 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1064 Mannose 19.4024 1891.2 8.3 scans 96% 319 m/z 0.011% 13.9% 1266 0.1 1560 2407613 124060712 121534678 4-1 20: 319 73 205 147 160 320 217 103 206 117 133 229 129 157 204 148 189 74 207 161 1.000 19.45 -4.0 100 99 98 99 319 608.5 15.265 -0.053 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN BRA4_R~2-N1004 Galactose 19.4024 1891.2 8.3 scans 79% 319 m/z (366) 0.010% 11.7% 1266 0.1 1423 2477913 104970715 102833378 4-1 20: 319 73 205 147 160 320 217 103 206 117 133 229 129 157 204 148 189 74 207 161 0.961 19.36 3.1 92 96 92 95 364 34.7 0.000 0.041 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1059 Glucose 19.5960 1906.3 3.2 scans 97% 319 m/z (317) 0.016% 4.16% 1284 0.5 1285 1669464 37063256 37048817 1-0 20: 319 73 205 147 320 160 217 103 321 206 133 117 74 229 129 157 148 75 204 89 0.999 19.55 3.6 98 99 99 100 376 54.1 0.178 0.044 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1062 Glucose 19.5960 1906.3 3.2 scans 97% TIC 0.015% 4.23% 1284 0.4 1284 1692938 37764206 37351651 2-0 0.993 19.66 -4.8 100 99 99 99 319 510.2 15.849 -0.060 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7370 1917.6 3.6 scans 61% 73 m/z 1.8% 0.0187% 1297 1.2 107 14665 0.122% 167085 167085 1086701 0-0 12: 73 205 147 117 103 307 206 74 59 148 133 75 0.959 19.79 -4.3 91 92 89 92 434 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN N406_R~2-N1016 Galacturonic acid 19.7896 1921.8 2.6 scans 13% 333 m/z 9.8% 0.00192% 1302 1.1 30 2756 0.00598% 17173 17173 53266 0-0 2: 333 334 0.912 19.79 -0.3 85 89 79 89 423 0.0 0.000 -0.003 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2978 1962.7 2.8 scans 88% 73 m/z 0.26% 0.162% 1351 1.2 272 103034 1443575 1386570 1-1 20: 73 191 147 217 205 206 189 129 74 218 133 148 435 117 305 75 291 149 231 131 0.955 20.41 -9.3 95 95 95 97 217 65.4 5.791 -0.116 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1050 Gluconic acid 20.4704 1976.6 2.8 scans 71% 333 m/z (191) 1.3% 0.0392% 1367 1.3 138 19645 0.0767% 349343 349343 683197 0-0 11: 333 292 334 359 423 294 433 435 436 434 424 0.981 20.65 -14.3 93 94 92 94 613 0.0 0.000 -0.178 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1054 Gluconic acid 3 20.4757 1977.0 7.5 scans 58% TIC 1.5% 0.0247% 1368 1.6 126 17077 0.130% 220441 220441 1157960 0-0 0.937 20.55 -5.9 91 91 84 92 613 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1052 Gluconic acid 2 20.5209 1980.6 3.0 scans 62% 292 m/z 1.8% 0.0266% 1372 1.1 120 14663 0.0802% 237213 237213 714372 0-0 18: 292 319 333 205 293 320 359 435 277 294 103 219 334 221 206 335 321 331 0.984 20.60 -6.1 91 90 88 90 613 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN INOSIT~1-N1022 myo-Inositol 21.7162 2080.2 9.5 scans 9.2% 433 m/z (73) 0.11% 1.53% 1485 0.9 473 242985 13683279 13459188 1-1 6: 433 367 434 368 230 243 0.447 21.74 -2.1 82 93 60 94 507 118.7 6.293 -0.025 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.7162 2080.2 9.5 scans 100% 433 m/z 0.013% 16.4% 1485 0.9 1561 2030595 146782152 144378299 1-1 6: 433 367 434 368 230 243 1.000 21.75 -2.7 100 99 99 99 507 117.2 0.565 -0.033 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1040 myo-Inositol 21.7488 2082.9 8.5 scans 59% 73 m/z (307) 0.012% 9.87% 1489 0.2 1265 2103250 87999133 83108412 1-1 20: 73 217 305 147 191 318 306 204 218 265 319 133 129 74 192 148 103 219 75 221 0.944 21.78 -2.7 89 93 95 93 378 0.0 0.000 -0.032 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8782 2093.8 3.0 scans 96% 319 m/z 0.10% 0.570% 1501 1.0 491 267261 9.33% 5085482 4812503 83105915 4-1 20: 319 73 205 147 320 217 321 103 262 206 117 204 229 74 133 157 148 89 129 207 1.000 21.93 -4.3 95 92 96 99 656 11.8 0.058 -0.052 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1992 2121.6 2.6 scans 53% 396 m/z (73) 0.25% 0.137% 1531 1.1 257 104793 1228516 1209755 0-3 19: 396 219 397 381 398 220 191 307 382 293 249 74 383 308 399 221 233 192 175 0.886 22.19 1.1 93 94 68 94 396 126.9 24.433 0.013 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1032 trans-Caffeic acid 22.2044 2122.0 2.7 scans 96% 73 m/z 0.24% 0.243% 1532 1.1 355 112130 0.568% 2168433 2084885 5059395 1-0 20: 73 319 205 147 320 103 217 321 133 117 206 189 172 148 89 229 157 204 72 135 0.997 22.25 -4.0 92 89 87 94 396 131.3 13.708 -0.046 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6758 2163.2 3.5 scans 87% 204 m/z 1.0% 0.0326% 1577 0.7 114 25739 0.0640% 290810 283875 570073 5-0 12: 204 73 249 147 217 206 131 117 250 218 129 103 0.993 22.71 -3.3 97 96 97 99 518 0.0 0.000 -0.038 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN WTF2-N1036 C18:0 23.3966 2227.4 3.0 scans 82% TIC 4.1% 0.0133% 1645 1.3 75 6471 0.0443% 118630 118217 394597 1-0 0.997 22.89 45.6 87 93 86 93 356 10.2 1.871 0.508 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1205 2293.6 3.2 scans 77% TIC 1.1% 0.0308% 1714 0.7 119 23550 0.188% 274748 274748 1674589 0-0 0.889 24.01 10.1 93 92 92 95 490 0.0 0.000 0.110 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1024 Glycerolgalactose 24.1215 2293.6 2.6 scans 79% 204 m/z 1.0% 0.0298% 1714 1.0 121 26203 0.0585% 265653 234688 521082 2-3 19: 204 205 147 217 337 103 206 129 338 219 218 361 191 133 74 203 149 101 243 0.988 24.18 -5.5 93 93 92 94 581 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6518 2343.8 3.6 scans 90% TIC 0.38% 0.195% 1764 1.1 269 70847 0.241% 1739734 1729990 2146680 0-1 0.964 24.65 0.2 97 96 95 99 466 17.8 0.437 0.002 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7444 2352.6 2.7 scans 89% 73 m/z 1.3% 0.0453% 1773 1.2 147 20025 403936 367921 0-3 20: 73 217 204 147 292 375 305 218 103 219 451 293 233 205 376 129 206 363 74 131 0.995 24.81 -5.8 95 94 93 94 451 18.1 1.518 -0.061 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3543 2510.5 2.7 scans 92% 204 m/z 0.55% 0.0635% 1926 1.2 174 49052 0.109% 565857 528640 970905 1-2 20: 204 73 205 495 147 217 206 496 117 130 363 497 273 103 131 129 191 74 115 245 0.998 26.35 0.5 95 94 95 94 495 34.0 3.822 0.004 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5332 2528.9 2.7 scans 69% 512 m/z (361) 2.2% 0.0251% 1943 1.0 109 11846 223927 215962 1-1 19: 512 455 513 247 456 514 57 483 349 457 497 248 423 409 249 353 498 383 235 0.988 26.57 -4.2 94 96 86 96 512 42.7 15.396 -0.040 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9088 2567.7 6.9 scans 59% TIC 7.2% 0.00685% 1979 1.7 49 3728 0.0222% 61062 61062 197744 0-0 0.912 26.39 53.1 80 89 69 90 459 7.1 2.107 0.515 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1010 Sucrose 27.4075 2619.9 9.4 scans 100% 437 m/z 0.0083% 13.9% 2026 1.4 1483 3233348 124120482 123561997 1-0 19: 437 451 438 439 452 453 440 333 454 289 392 295 235 195 465 164 419 78 225 0.998 27.58 -18.3 100 99 98 99 437 293.0 3.932 -0.171 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1020 Sucrose 27.4075 2619.9 9.4 scans 10% 437 m/z (361) 0.049% 1.40% 2026 1.4 462 550381 12479127 12422976 1-0 19: 437 451 438 439 452 453 440 333 454 289 392 295 235 195 465 164 419 78 225 0.422 27.46 -5.7 94 98 95 99 437 290.9 39.723 -0.053 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1018 Sucrose 27.4181 2621.0 9.4 scans 65% 361 m/z (217) 0.0083% 8.82% 2027 0.9 1208 3233348 9.92% 78588292 77038661 88361273 1-0 19: 361 362 363 271 364 244 170 305 306 435 293 334 377 260 304 348 335 288 224 0.947 27.47 -5.5 88 90 71 89 437 293.2 5.929 -0.052 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1014 Sucrose 27.4233 2621.6 9.5 scans 90% TIC 0.0084% 12.0% 2028 0.8 1416 3206118 13.7% 107462735 105264325 122031193 1-0 1.000 27.49 -7.1 100 99 99 99 437 289.6 4.219 -0.067 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1008 Sucrose 27.4549 2625.0 8.9 scans 100% 73 m/z 0.0089% 12.9% 2031 0.2 1497 3023006 115025249 113330392 1-0 20: 73 74 75 104 69 101 59 81 55 105 89 222 87 274 83 54 58 76 88 67 1.000 27.59 -14.5 100 99 97 99 437 273.2 3.352 -0.136 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN LQC1-N1006 Trehalose 28.3777 2724.7 >4 scans 54% TIC 5.1% 0.00335% 2119 1.0 49 5290 0.0762% 29869 29869 678743 0-0 0.968 28.47 -10.2 89 90 75 90 565 0.0 0.000 -0.090 G:\GCMS data\Nicotiana Panel polar\N419_REP2.FIN GUA35_L1-N1020 Galactinol 30.4779 2964.4 3.0 scans 80% 204 m/z (345) 2.2% 0.0194% 2318 1.1 88 12054 0.0456% 172802 160442 406177 3-3 15: 204 217 205 191 361 218 103 129 206 192 362 230 434 243 318 0.990 30.55 -8.0 91 93 92 93 641 9.4 1.161 -0.067 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN EXBLK5S-N1006 Contamination 6.5932 1061.4 3.0 scans 61% 207 m/z 1.1% 0.0342% 48 1.8 98 22481 0.0956% 219407 173452 612356 8-4 14: 207 295 208 209 296 191 193 297 279 189 177 210 192 247 0.957 6.63 -1.9 98 98 92 98 295 31.2 10.149 -0.032 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.8004 1073.7 >8 scans 34% 147 m/z 9.4% 0.00981% 68 0.5 40 2785 0.0405% 62863 47392 259419 0-7 2: 147 73 0.854 6.82 -1.2 83 80 84 95 295 2.6 0.000 -0.021 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1194 Alanine 7.4202 1110.4 8.2 scans 69% TIC 1.8% 0.0429% 127 0.5 75 14327 0.113% 274789 274789 723810 0-0 0.961 7.40 0.9 94 94 92 95 283 0.0 0.000 0.016 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN A-KETO~2-N1006 Contamination?? 7.9063 1139.3 2.5 scans 81% 156 m/z 1.8% 0.0223% 173 1.2 84 14381 0.0236% 142846 113882 151167 6-14 7: 156 75 55 157 54 61 76 0.999 7.96 -2.9 99 98 96 98 156 46.3 30.087 -0.051 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1192 Contamination 7.9894 1144.2 2.6 scans 68% 73 m/z 5.1% 0.00963% 181 1.4 62 5126 0.0376% 61694 59265 240843 2-0 12: 73 147 133 152 235 220 148 89 72 59 146 86 0.972 7.99 -0.0 92 93 88 93 235 11.7 3.613 0.000 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN WTF2-N1026 Cadaverine NC 8.1872 1155.9 3.2 scans 87% 174 m/z 0.82% 0.0656% 200 0.8 122 32086 0.0989% 420555 325738 633494 0-10 17: 174 73 175 216 142 86 59 100 130 176 158 131 217 143 74 87 161 0.996 7.74 26.7 94 93 91 99 216 27.5 5.126 0.451 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1188 Contamination 8.3714 1166.8 3.1 scans 88% 281 m/z 1.0% 0.0583% 217 1.5 126 25976 0.0709% 373790 323277 454143 7-0 20: 281 147 73 369 282 283 370 265 249 207 148 149 191 284 266 250 205 193 74 179 0.993 8.41 -2.6 99 97 83 100 369 34.4 7.505 -0.044 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1190 Contamination 8.4419 1171.0 2.9 scans 68% 73 m/z 3.5% 0.0124% 224 1.0 64 7422 0.0283% 79719 79201 181273 0-2 10: 73 140 211 198 77 69 70 186 126 74 0.978 8.48 -2.5 89 89 85 91 309 6.1 0.923 -0.042 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1186 Phosphate 8.5429 1177.0 2.6 scans 47% 241 m/z 4.9% 0.00517% 233 1.3 42 5368 33148 33148 1-0 5: 241 242 211 133 163 0.707 8.56 -1.0 87 86 68 94 299 0.0 0.000 -0.018 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1184 Valine 9.1700 1214.0 2.9 scans 86% 144 m/z 0.88% 0.0402% 293 0.8 109 29926 0.0473% 257566 224290 302975 6-3 16: 144 73 218 145 147 100 146 219 74 59 114 148 220 133 128 132 0.994 9.19 -1.0 99 98 97 98 218 32.9 9.173 -0.018 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1180 Benzoic acid 9.7361 1247.1 2.9 scans 73% TIC 3.6% 0.0113% 347 1.0 61 7198 0.0161% 72935 72600 103127 3-0 0.905 9.76 -1.4 96 96 89 98 194 9.1 2.238 -0.023 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1178 Ethanolamine 9.9960 1262.3 3.7 scans 71% 174 m/z 2.4% 0.0173% 372 1.0 63 10930 0.0585% 111294 96877 374716 3-0 8: 174 175 100 86 176 133 130 262 0.962 10.03 -2.2 96 96 91 97 262 7.6 1.443 -0.038 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN VEN77_S6-N1002 Glycerol 10.0728 1266.8 2.5 scans 94% TIC 0.039% 0.770% 379 1.1 516 660261 4937742 4349707 1-2 0.998 10.09 -1.2 100 99 97 100 299 314.0 37.256 -0.021 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LACTIC~1-N1034 Glycerol 10.0970 1268.2 3.4 scans 44% 205 m/z (299) 0.96% 0.0783% 381 0.7 140 27412 0.0827% 501623 473713 529726 2-2 10: 205 218 117 206 204 175 129 217 293 220 0.970 10.11 -0.8 98 99 99 99 293 8.1 0.336 -0.013 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2359 1276.4 2.8 scans 85% 73 m/z 1.5% 0.0227% 394 1.2 86 16945 145450 142029 0-2 11: 73 198 211 77 70 239 74 381 72 289 200 0.990 10.24 -0.2 96 95 94 95 381 10.1 1.396 -0.004 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1176 Isoleucine 10.4284 1287.6 2.7 scans 77% 158 m/z 1.5% 0.0223% 413 1.2 85 17053 0.0279% 143339 132430 178711 4-2 9: 158 218 159 232 117 219 100 160 205 0.992 10.46 -1.8 97 95 95 98 260 6.0 0.501 -0.031 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1012 Proline 10.5157 1292.7 2.6 scans 93% 142 m/z 0.12% 0.186% 421 0.9 262 214289 1.33% 1193509 1160650 8519180 3-1 20: 142 73 143 216 147 144 72 59 74 75 66 217 148 133 68 101 115 244 99 70 0.999 10.53 -1.1 100 98 99 100 216 49.1 3.511 -0.017 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1014 Maleic acid 10.5968 1297.5 2.6 scans 97% 147 m/z 0.081% 0.397% 429 0.8 369 324029 1.42% 2544354 2518824 9095666 1-4 20: 147 73 245 148 75 149 83 74 133 246 115 143 84 59 170 126 58 215 54 66 0.999 10.60 -0.3 99 98 98 99 245 86.0 5.448 -0.005 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1170 Glycine 10.6536 1300.8 >2 scans 51% TIC 3.7% 0.00201% 434 1.2 51 7058 1.01% 12921 12921 6469453 0-0 0.974 10.69 -2.0 89 89 80 89 276 8.8 3.031 -0.033 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7399 1306.0 3.0 scans 95% TIC 0.033% 1.17% 442 1.1 568 779538 7505165 7184381 1-1 0.977 10.76 -1.1 99 97 97 99 251 131.4 5.378 -0.018 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1168 Glyceric acid 11.0134 1322.5 2.5 scans 96% 73 m/z 0.23% 0.219% 468 1.1 283 111997 1404794 1376869 1-1 20: 73 147 292 189 133 103 293 205 117 148 190 307 102 75 294 74 59 191 149 101 0.997 11.05 -2.4 100 99 99 100 292 84.0 8.794 -0.041 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0745 1326.2 >3 scans 69% TIC 9.8% 0.00581% 474 0.9 46 2691 0.169% 37248 37248 1082512 0-0 0.947 11.06 0.7 91 92 83 94 285 15.2 10.768 0.011 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1018 Uracil 11.1355 1329.8 2.4 scans 72% TIC 7.2% 0.00564% 480 1.4 49 3622 0.0172% 36139 36139 110173 0-0 0.955 11.15 -0.8 96 95 89 99 256 16.7 11.848 -0.013 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1164 Itaconic acid 11.2123 1334.5 2.3 scans 73% 147 m/z 3.3% 0.0111% 487 1.0 64 7888 0.0122% 71512 62402 78146 3-2 7: 147 259 148 215 149 74 268 0.941 11.25 -2.4 81 76 82 92 259 12.0 3.494 -0.040 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1162 Fumaric acid 11.3596 1343.3 2.4 scans 96% 245 m/z 0.11% 0.293% 501 1.0 332 232078 1878010 1803427 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 155 74 84 53 61 127 59 58 1.000 11.39 -2.0 100 99 99 100 245 186.2 31.407 -0.033 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4564 1349.2 2.9 scans 21% 57 m/z (84) 1.4% 0.0340% 510 1.3 98 18799 218016 203340 1-2 11: 57 97 115 145 127 129 128 111 109 71 98 0.923 11.45 0.7 90 91 95 99 145 28.1 8.206 0.010 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4711 1350.0 2.9 scans 89% 84 m/z 0.14% 0.261% 512 1.0 281 177815 1676500 1594251 2-2 20: 84 133 161 162 119 92 118 51 82 65 85 78 130 63 134 91 117 104 105 120 0.945 10.96 31.0 96 97 97 99 161 70.2 6.223 0.515 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1160 Serine 11.5038 1352.0 2.5 scans 77% 204 m/z (84) 0.74% 0.0645% 515 1.0 151 35302 413450 390665 2-1 14: 204 73 218 205 100 219 278 206 306 220 189 216 101 279 0.984 11.56 -3.2 96 97 94 97 306 16.0 1.120 -0.053 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1020 Serine 11.5038 1352.0 2.5 scans 72% 204 m/z 0.75% 0.0585% 515 1.0 147 34855 374750 354098 2-1 14: 204 73 218 205 100 219 278 206 306 220 189 216 101 279 0.989 11.51 -0.6 97 96 92 97 306 15.9 1.180 -0.009 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN BRA4_R~2-N1008 Thymine 11.5911 1357.3 2.6 scans 59% 255 m/z 6.5% 0.00363% 523 1.3 36 4059 23306 23306 0-0 3: 255 270 256 0.911 11.58 0.5 98 100 95 99 270 13.3 13.869 0.007 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1024 Threonine 11.9152 1376.8 2.6 scans 93% 73 m/z 0.68% 0.0800% 554 1.2 172 38388 512516 487509 1-1 20: 73 218 219 117 291 292 147 101 220 57 74 100 75 293 133 128 132 203 129 320 0.994 11.92 -0.3 100 99 99 99 320 16.3 0.904 -0.006 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2778 1461.5 2.7 scans 78% 247 m/z (155) 1.8% 0.0304% 683 1.2 100 14392 194990 191413 1-0 12: 247 248 259 115 249 349 231 203 189 163 260 185 0.978 13.31 -1.8 95 97 94 97 349 12.2 1.505 -0.028 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1148 Glutamine?? 13.2988 1462.8 2.7 scans 70% 155 m/z (247) 0.83% 0.0437% 685 1.1 119 31768 0.0466% 280306 279314 298492 2-0 10: 155 156 229 139 100 59 157 230 103 257 0.979 13.35 -3.1 92 93 94 97 257 8.8 0.551 -0.048 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1146 Malic acid 13.5840 1480.8 4.3 scans 98% 73 m/z 0.013% 6.69% 713 0.3 1202 1999089 42883398 42384759 1-0 20: 73 147 233 245 133 189 190 335 148 191 175 75 234 149 217 74 265 101 55 307 1.000 13.62 -2.0 100 100 100 100 350 33.3 0.077 -0.033 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1142 Erythritol/Threitol 13.7144 1489.0 3.1 scans 84% TIC 1.7% 0.0393% 725 2.8 101 14840 5.92% 252106 252106 37919961 0-0 0.988 13.89 -11.1 90 87 89 96 320 7.9 0.610 -0.176 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0238 1508.9 2.6 scans 37% 232 m/z 0.57% 0.0476% 754 1.3 129 45818 305434 305385 0-1 17: 232 233 218 100 234 202 188 219 216 306 334 130 292 220 221 203 349 0.913 14.02 0.4 94 94 84 98 258 4.8 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1140 Aspartic acid 14.0238 1508.9 2.6 scans 52% 232 m/z (156) 0.57% 0.0679% 754 1.3 153 45569 435394 435323 0-1 17: 232 233 218 100 234 202 188 219 216 306 334 130 292 220 221 203 349 0.946 14.09 -4.2 93 95 86 96 349 9.8 0.411 -0.063 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0469 1510.5 3.8 scans 90% TIC 0.12% 0.360% 757 0.6 296 203552 2308752 2248369 1-1 0.987 14.03 1.2 99 98 98 99 258 58.0 3.828 0.017 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0480 1510.5 3.1 scans 93% 156 m/z 0.12% 0.324% 757 0.8 302 219635 2077231 2013936 1-1 18: 156 73 147 157 230 258 158 259 231 72 140 148 59 58 121 112 55 86 0.991 14.11 -4.2 99 98 98 99 273 12.4 0.169 -0.062 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1032 GABA 14.1911 1520.0 2.7 scans 94% TIC 0.18% 0.263% 770 1.3 291 145990 0.525% 1686345 1638332 3362834 0-5 0.997 14.19 0.2 100 99 98 99 304 89.0 9.361 0.003 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3615 1531.3 2.7 scans 85% 73 m/z 1.1% 0.0544% 786 1.0 127 23656 0.210% 348495 307035 1345134 4-2 20: 73 292 147 220 205 293 217 221 117 148 294 103 206 133 149 291 74 102 409 189 0.989 14.62 -17.3 97 96 93 96 409 10.0 0.628 -0.259 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6098 1547.8 2.5 scans 94% 73 m/z 0.22% 0.217% 810 1.1 284 115322 1395937 1326124 1-2 20: 73 292 147 220 205 293 117 217 103 294 221 74 148 133 319 291 206 149 75 189 0.987 14.69 -5.4 100 99 98 99 409 21.4 0.569 -0.082 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7393 1556.4 2.9 scans 12% 174 m/z (267) 2.3% 0.0120% 822 1.1 61 11422 77144 74472 1-1 8: 174 175 86 250 176 59 100 65 0.683 14.16 38.1 84 95 65 95 250 14.3 5.512 0.574 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3811 1598.9 2.7 scans 65% 217 m/z 2.0% 0.0142% 883 1.2 78 12745 0.0840% 90960 90960 538053 0-0 5: 217 73 218 219 103 0.920 15.44 -4.1 89 90 86 90 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1036 Glutamic acic 15.5032 1607.4 2.5 scans 81% TIC 2.3% 0.0152% 895 0.6 76 11236 0.0434% 97605 97605 277994 0-0 0.989 15.50 -0.0 96 94 91 100 363 8.7 1.315 0.000 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1118 Phenylalanine 15.6052 1614.5 2.6 scans 84% 218 m/z (267) 1.5% 0.0400% 905 1.0 113 17233 256425 231142 1-2 7: 218 192 219 100 266 148 132 0.982 15.66 -3.7 95 96 95 99 294 8.7 0.594 -0.054 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1038 Xylose 15.8914 1634.3 5.6 scans 85% TIC 1.7% 0.0305% 932 1.3 98 14979 0.131% 195580 195235 839107 1-0 0.994 15.89 0.1 90 87 87 96 307 27.9 8.071 0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1042 Ribose 15.8914 1634.3 3.1 scans 79% 73 m/z (204) 1.9% 0.0293% 932 1.3 95 13435 0.196% 187764 177930 1255458 2-0 17: 73 217 103 307 147 218 308 309 189 277 160 233 133 89 74 104 219 0.984 16.10 -14.7 90 92 90 94 307 27.9 8.691 -0.212 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1040 Xylose 16.0072 1642.4 2.5 scans 93% TIC 0.37% 0.136% 943 0.9 226 69933 873973 853279 1-0 0.991 16.00 0.3 96 94 96 99 307 64.1 8.006 0.003 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.2281 1657.7 2.9 scans 44% 290 m/z 3.6% 0.00616% 964 1.9 42 7235 39476 37974 1-2 5: 290 291 292 158 392 0.939 16.28 -3.4 92 92 59 94 392 8.5 4.137 -0.048 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1108 Ribose 16.3186 1664.0 5.3 scans 77% TIC 2.3% 0.0332% 972 0.5 85 11165 0.127% 213007 210654 813486 0-3 0.946 16.38 -3.9 90 89 88 93 467 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6153 1684.6 2.7 scans 90% 73 m/z 0.97% 0.0662% 1001 1.2 149 26953 0.0869% 424343 424343 556629 0-0 20: 73 319 307 147 103 217 308 205 320 306 129 309 321 218 277 148 229 74 133 243 0.997 16.68 -4.2 100 99 98 99 497 3.7 0.062 -0.061 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1104 Rhamnose 16.8742 1702.7 2.9 scans 76% TIC 2.6% 0.0175% 1025 1.0 79 9995 0.0885% 112202 111187 566878 1-0 0.977 16.93 -4.2 83 82 88 85 392 11.8 2.230 -0.058 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9278 1706.6 3.8 scans 64% TIC 4.6% 0.0107% 1030 1.9 68 5629 0.189% 68920 68920 1210620 0-0 0.957 16.99 -4.5 90 90 86 91 422 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9973 1711.7 3.1 scans 84% TIC 1.2% 0.0587% 1037 1.2 131 21306 0.250% 376371 372428 1601350 0-1 0.969 17.06 -4.8 95 94 91 95 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1044 Putrescine 17.1898 1725.8 2.7 scans 76% 174 m/z (73) 0.86% 0.0328% 1055 1.0 104 30331 210331 210291 1-0 11: 174 175 176 86 172 361 200 130 100 146 142 0.989 17.19 0.2 97 98 97 99 376 7.6 0.523 0.002 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1096 Putrescine 17.1898 1725.8 2.7 scans 65% 174 m/z 0.87% 0.0279% 1055 1.0 97 30312 179083 179049 1-0 11: 174 175 176 86 172 361 200 130 100 146 142 0.994 17.25 -4.2 98 97 96 99 458 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3782 1739.5 2.8 scans 73% 292 m/z 2.3% 0.0249% 1073 1.1 93 11158 0.0251% 159742 157834 160776 1-1 11: 292 333 103 217 307 334 335 293 294 319 308 0.978 17.44 -4.8 95 95 92 95 511 6.6 0.509 -0.065 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5676 1753.3 2.7 scans 91% 217 m/z 0.19% 0.205% 1091 1.0 261 137376 0.303% 1316367 1223428 1940836 4-1 19: 217 73 218 147 219 450 74 75 305 133 129 191 230 189 148 149 451 215 244 0.994 17.63 -4.7 97 96 96 97 450 34.7 1.772 -0.064 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7022 1763.2 2.8 scans 77% 334 m/z (117) 0.66% 0.116% 1104 0.9 186 39664 745831 637898 2-10 14: 334 204 256 335 255 375 167 285 336 166 211 267 151 201 0.987 17.70 0.3 96 98 97 98 375 22.1 1.413 0.003 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1046 Shikimic acid 18.1315 1794.5 3.7 scans 82% TIC 0.35% 0.152% 1145 1.2 203 75192 0.480% 976267 865595 3074591 0-2 0.962 18.13 0.5 96 96 93 98 372 23.7 1.363 0.007 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1082 Citric acid 18.2515 1803.4 3.4 scans 84% TIC 0.32% 0.233% 1156 1.4 257 79964 0.490% 1497163 1475349 3138645 0-2 0.951 18.32 -5.3 98 98 95 99 465 37.8 2.159 -0.069 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1076 Pregnane?? 18.7850 1844.1 3.3 scans 96% 345 m/z 0.078% 0.887% 1207 1.2 490 334608 5682109 5474637 1-2 20: 345 73 346 255 147 347 334 191 204 256 419 435 133 372 148 74 239 257 75 537 1.000 18.86 -5.6 100 99 99 100 537 37.4 0.584 -0.073 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1074 Adenine 18.8828 1851.5 3.0 scans 35% 264 m/z 4.6% 0.00455% 1216 1.7 36 5711 0.122% 29177 26964 781459 1-0 3: 264 279 266 0.939 18.94 -4.4 92 93 77 92 415 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1072 Fructose 19.0007 1860.5 6.7 scans 97% TIC 0.013% 12.6% 1227 0.7 1353 1894764 80880140 78888351 1-0 0.998 19.03 -2.5 100 98 99 100 364 157.8 1.367 -0.032 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1052 Fructose 19.1406 1871.2 5.5 scans 97% 73 m/z 0.015% 9.50% 1241 0.3 1306 1732219 22.0% 60881141 60421377 140918774 2-2 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 262 117 219 189 89 104 148 0.999 19.10 2.8 100 99 99 100 364 156.9 1.448 0.037 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1056 Glucose 19.2416 1878.9 >5 scans 48% TIC 0.96% 0.0512% 1250 0.8 161 27316 18.1% 328146 328146 115937718 0-0 0.991 19.33 -6.9 90 90 89 90 364 5.2 0.103 -0.090 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1064 Mannose 19.3542 1887.5 6.4 scans 100% 322 m/z 0.011% 14.0% 1261 0.3 1471 2322592 89883325 89813846 1-0 20: 322 365 323 466 464 247 448 332 377 554 268 336 248 367 310 433 324 178 350 180 1.000 19.45 -7.7 100 99 99 100 319 589.0 16.093 -0.101 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN BRA4_R~2-N1004 Galactose 19.3616 1888.1 5.9 scans 85% 73 m/z (322) 0.011% 12.0% 1262 0.3 1410 2265602 77397692 75263802 1-1 20: 73 319 205 147 160 217 320 103 206 321 117 157 229 129 133 74 161 189 204 148 0.989 19.36 -0.0 96 98 97 98 364 35.5 0.000 0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1059 Glucose 19.5731 1904.4 2.9 scans 95% 319 m/z 0.023% 3.70% 1282 0.5 1044 1146175 23718598 22102615 1-1 19: 319 73 205 147 320 160 217 103 321 206 133 117 229 129 74 157 148 204 89 0.997 19.55 1.7 100 99 99 100 376 45.0 0.186 0.021 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7267 1916.8 2.9 scans 75% 73 m/z 1.5% 0.0312% 1296 1.2 110 17335 0.136% 199892 199892 871134 0-0 19: 73 244 205 319 147 117 206 320 89 59 245 217 74 321 307 148 101 133 149 0.983 19.79 -5.1 89 89 89 90 434 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2906 1962.1 2.6 scans 63% 204 m/z 0.93% 0.0532% 1350 1.2 138 28181 341253 332811 0-1 10: 204 191 205 206 192 129 435 193 345 231 0.701 20.41 -9.9 88 88 78 92 217 42.1 9.325 -0.123 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2959 1962.5 3.3 scans 73% TIC 0.81% 0.0769% 1350 1.4 149 32396 492739 492739 0-0 0.810 20.30 0.0 87 91 88 89 433 11.9 0.640 -0.000 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1054 Gluconic acid 3 20.4695 1976.5 7.0 scans 62% TIC 2.5% 0.0184% 1367 1.6 91 10308 0.0635% 117918 117918 406743 0-0 0.944 20.55 -6.4 89 89 81 89 613 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1052 Gluconic acid 2 20.5116 1979.9 >4 scans 76% TIC 2.7% 0.0294% 1371 1.3 87 9574 0.106% 188739 158920 678972 0-2 0.986 20.60 -6.8 89 89 86 89 613 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN WTF2-N1038 C16:0 21.1429 2032.0 2.8 scans 85% 313 m/z 2.6% 0.0308% 1431 1.3 97 9929 197328 176128 1-9 17: 313 117 73 75 132 129 314 145 55 57 328 315 69 131 83 74 118 0.962 20.62 43.7 89 95 91 96 328 11.9 1.503 0.526 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.7080 2079.5 5.3 scans 97% 73 m/z 0.012% 13.0% 1485 0.3 1549 2087034 83355893 80458399 1-1 20: 73 305 217 147 318 191 306 319 265 204 218 307 129 432 133 320 148 192 367 219 1.000 21.75 -3.4 100 99 99 99 507 116.2 0.565 -0.041 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8626 2092.5 3.3 scans 100% 133 m/z 0.13% 0.613% 1499 1.1 414 189879 25.3% 3928738 3847860 162056590 3-2 20: 133 72 172 277 104 318 292 130 231 278 216 334 244 118 159 302 203 332 402 268 1.000 21.93 -5.6 96 93 96 99 656 9.6 0.054 -0.067 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1941 2121.1 2.5 scans 93% 396 m/z 0.22% 0.293% 1531 1.0 328 119492 0.317% 1880191 1748527 2030511 1-0 20: 396 219 73 397 381 398 319 220 191 307 382 205 249 293 147 75 74 320 308 221 0.996 22.19 0.6 96 93 90 100 396 133.6 16.547 0.008 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6728 2163.0 3.5 scans 88% 204 m/z 1.1% 0.0442% 1576 0.9 107 22371 0.0827% 283501 264678 529726 2-0 17: 204 73 205 147 249 217 206 361 117 131 145 74 218 191 103 129 133 0.991 22.71 -3.5 98 97 97 99 518 0.0 0.000 -0.041 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN WTF2-N1036 C18:0 23.3946 2227.2 3.2 scans 84% 341 m/z 4.2% 0.0203% 1645 1.7 72 6143 0.0228% 130219 127332 146043 0-2 11: 341 117 132 145 356 129 342 55 57 201 69 0.985 22.89 45.4 87 93 84 93 356 11.2 2.441 0.506 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN BRA4_R~2-N1006 Spermidine 23.5083 2237.6 3.1 scans 66% TIC 11% 0.00955% 1656 1.2 50 2333 0.0334% 61182 40210 213940 0-5 0.964 23.51 -0.1 86 88 90 88 490 0.0 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1206 2293.6 2.6 scans 89% TIC 0.92% 0.0483% 1714 0.6 127 28420 0.183% 309666 297761 1172188 0-3 0.992 24.18 -5.5 95 94 94 95 581 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6489 2343.5 3.4 scans 90% 73 m/z 0.42% 0.259% 1764 0.6 243 62762 1663962 1582833 2-1 20: 73 331 147 217 421 191 262 307 205 319 103 332 305 333 192 376 259 218 422 308 0.979 24.65 -0.1 99 98 97 99 466 14.9 0.374 -0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7446 2352.6 2.7 scans 85% 73 m/z 3.3% 0.0212% 1773 1.1 84 7877 0.0310% 136101 123525 198567 0-6 14: 73 204 217 147 305 292 375 103 205 218 451 129 233 376 0.990 24.81 -5.8 87 87 84 87 451 10.7 1.607 -0.060 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3513 2510.2 2.9 scans 75% 204 m/z 4.2% 0.0102% 1926 1.4 58 6227 0.0303% 65897 58200 194084 1-0 4: 204 495 205 206 0.981 26.35 0.2 82 82 77 82 495 12.1 4.341 0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5333 2529.0 4.1 scans 73% TIC 2.1% 0.0480% 1943 1.6 106 12491 0.0674% 307687 298066 431724 0-1 0.832 26.57 -4.1 96 97 88 96 512 37.7 12.753 -0.040 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9048 2567.3 3.5 scans 67% TIC 6.3% 0.00876% 1979 1.1 48 4182 0.0199% 56137 47749 127467 0-3 0.952 26.39 52.7 81 90 71 90 459 7.5 2.504 0.511 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1010 Sucrose 27.4046 2619.6 9.8 scans 100% 437 m/z 0.0082% 19.9% 2026 1.7 1459 3206595 128073251 127983475 1-0 20: 437 451 438 439 291 333 202 185 207 463 378 181 249 468 261 263 266 465 350 235 0.998 27.58 -18.6 100 99 98 99 437 286.0 3.870 -0.174 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1020 Sucrose 27.4046 2619.6 9.8 scans 9.9% 437 m/z (361) 0.048% 1.99% 2026 1.7 456 547597 12805523 12796547 1-0 20: 437 451 438 439 291 333 202 185 207 463 378 181 249 468 261 263 266 465 350 235 0.738 27.46 -6.0 94 97 95 98 437 286.0 39.552 -0.056 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1014 Sucrose 27.4193 2621.2 >8 scans 93% 271 m/z 0.0082% 17.3% 2027 0.9 1410 3206595 19.7% 111426661 107328175 126186356 1-0 15: 271 229 148 305 221 170 345 220 150 307 348 434 109 223 250 1.000 27.49 -7.5 100 99 99 100 437 286.0 4.149 -0.071 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1008 Sucrose 27.4561 2625.1 9.3 scans 100% 73 m/z 0.0089% 18.7% 2031 0.2 1462 2962994 120288572 119088794 1-0 20: 73 74 75 104 101 69 59 55 454 54 277 144 83 53 278 248 56 58 433 269 1.000 27.59 -14.4 100 99 97 99 437 263.9 3.280 -0.135 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1018 Sucrose 27.4624 2625.8 >2 scans 53% 361 m/z (73) 0.0090% 2.40% 2032 2.1 1052 2901436 11.2% 15375793 15375793 71740467 0-0 20: 361 217 147 271 103 169 218 129 243 191 319 219 189 204 205 331 272 230 133 229 0.962 27.47 -0.7 90 92 63 92 437 260.2 6.175 -0.008 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN LQC1-N1006 Trehalose 28.3747 2724.4 2.9 scans 45% 361 m/z 7.4% 0.00328% 2118 1.5 34 3531 0.0255% 21022 21022 163338 0-0 3: 361 362 191 0.834 28.47 -10.5 86 87 53 88 565 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel polar\N419_REP3.FIN GUA35_L1-N1020 Galactinol 30.4780 2964.4 3.0 scans 89% 204 m/z 1.6% 0.0372% 2318 1.1 108 16310 238903 223598 1-1 20: 204 217 191 205 147 305 361 433 129 103 218 206 192 148 641 74 343 362 319 318 0.973 30.55 -8.0 94 94 93 95 641 10.4 0.932 -0.067 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN EXBLK5S-N1006 Contamination 6.6436 1064.4 2.4 scans 76% 207 m/z 0.48% 0.0664% 53 1.3 163 55838 0.194% 457705 395286 1336704 7-5 19: 207 73 295 208 191 209 296 279 297 193 133 177 192 210 189 247 112 263 181 0.983 6.63 1.1 99 98 94 99 295 48.0 8.654 0.019 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8856 1078.8 >11 scans 40% 147 m/z 5.5% 0.0185% 76 0.3 52 4908 0.0736% 127782 122925 507121 0-3 3: 147 117 73 0.933 6.82 3.9 92 91 91 99 295 2.6 0.000 0.065 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1194 Alanine 7.4454 1111.9 10.9 scans 49% 116 m/z 2.8% 0.0400% 129 0.9 64 9697 0.0481% 275618 271450 331420 0-2 1: 116 0.848 7.40 2.4 92 94 87 94 283 4.5 0.495 0.041 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9641 1142.7 2.9 scans 72% 156 m/z 1.9% 0.0215% 178 1.2 85 14061 0.0265% 148459 139045 182591 5-1 8: 156 75 55 157 54 76 61 158 0.977 7.96 0.5 99 99 97 99 156 46.4 29.525 0.007 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1192 Contamination 8.0441 1147.4 2.7 scans 77% 73 m/z 1.8% 0.0315% 186 1.2 104 14599 0.0388% 217436 170661 267341 1-7 19: 73 147 133 220 235 59 86 148 146 72 100 160 89 103 74 149 70 134 131 0.965 7.99 3.2 94 93 94 97 235 19.0 3.317 0.055 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN WTF2-N1026 Cadaverine NC 8.2135 1157.5 2.8 scans 71% 174 m/z 2.2% 0.0179% 202 1.2 77 12290 0.0380% 123758 101688 261829 0-5 10: 174 73 175 142 86 216 130 59 176 100 0.983 7.74 28.3 93 94 87 99 216 16.5 4.618 0.477 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1188 Contamination 8.3923 1168.1 4.1 scans 84% 281 m/z 1.1% 0.0646% 219 2.1 121 23664 0.0668% 445407 381323 460267 2-12 17: 281 147 369 282 283 370 265 249 284 207 371 148 266 193 149 251 208 0.992 8.41 -1.3 99 97 85 100 369 34.6 8.140 -0.023 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1190 Contamination 8.4786 1173.2 4.4 scans 73% TIC 2.5% 0.0202% 227 1.1 76 10919 0.0936% 139627 139627 644925 0-0 0.934 8.48 -0.3 90 89 85 93 309 7.2 0.893 -0.005 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1184 Valine 9.2015 1215.8 4.2 scans 67% TIC 3.5% 0.00829% 296 0.7 52 7745 0.0375% 57144 57144 258383 0-0 0.959 9.19 0.8 95 95 86 96 218 16.2 9.657 0.013 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1180 Benzoic acid 9.7655 1248.8 3.2 scans 66% 179 m/z 3.6% 0.0135% 350 0.8 63 7578 93610 90776 1-1 8: 179 105 135 77 180 194 136 181 0.936 9.76 0.3 97 97 91 97 194 9.9 2.440 0.006 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1178 Ethanolamine 10.0127 1263.3 4.4 scans 82% 174 m/z 0.91% 0.0580% 373 1.0 111 29814 0.176% 400162 329939 1212680 3-0 12: 174 73 175 86 100 176 130 59 133 262 114 148 0.988 10.03 -1.2 98 97 96 98 262 11.7 1.120 -0.021 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN VEN77_S6-N1002 Glycerol 10.0948 1268.1 2.6 scans 91% TIC 0.055% 0.567% 381 1.1 463 492297 3906907 3617416 1-1 0.958 10.09 0.1 100 99 97 100 299 274.5 35.184 0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2579 1277.6 2.9 scans 77% 73 m/z 1.7% 0.0190% 396 1.3 81 15430 0.0239% 131071 131071 164676 0-0 12: 73 198 211 77 199 70 212 74 381 239 289 200 0.966 10.24 1.0 94 94 90 94 381 9.6 1.386 0.018 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1176 Isoleucine 10.4441 1288.5 3.1 scans 52% 158 m/z 4.5% 0.00754% 414 1.2 47 6060 0.00787% 51970 45715 54226 5-2 3: 158 218 159 0.955 10.46 -0.9 90 90 81 93 260 0.0 0.000 -0.015 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1174 Proline 10.5336 1293.8 3.3 scans 82% 142 m/z 0.46% 0.0644% 423 0.8 132 58216 0.530% 444090 361667 3651820 7-1 9: 142 73 143 216 66 217 140 100 68 0.961 10.55 -0.6 98 97 93 98 142 94.4 50.962 -0.011 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1012 Proline 10.5336 1293.8 3.3 scans 85% 142 m/z (180) 0.46% 0.0709% 423 0.8 134 58214 0.584% 488915 398172 4023892 7-1 9: 142 73 143 216 66 217 140 100 68 0.988 10.53 -0.0 97 98 97 98 216 25.2 3.526 0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1014 Maleic acid 10.6241 1299.1 2.9 scans 97% 147 m/z 0.036% 0.931% 431 0.6 564 749976 6415493 6237240 1-1 20: 147 73 245 148 75 149 83 133 74 143 115 246 59 170 84 58 126 72 247 66 1.000 10.60 1.3 99 97 98 99 245 130.6 5.372 0.022 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1170 Glycine 10.6724 1302.0 3.9 scans 38% 174 m/z 2.9% 0.00925% 436 1.0 51 9144 0.0429% 63773 63773 295591 0-0 7: 174 248 175 276 86 176 249 0.990 10.69 -0.8 83 83 60 84 276 10.3 4.077 -0.015 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7608 1307.3 3.3 scans 92% TIC 0.030% 1.37% 444 1.1 619 906856 9495394 9041755 1-4 0.963 10.76 0.2 99 98 98 100 251 138.8 5.043 0.003 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1168 Glyceric acid 11.0302 1323.5 2.5 scans 97% 73 m/z 0.17% 0.281% 470 1.0 334 152200 1939499 1822557 5-1 20: 73 147 292 189 133 103 293 205 117 102 148 190 75 74 307 294 59 149 101 191 0.999 11.05 -1.4 100 99 99 100 292 97.5 8.537 -0.024 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0944 1327.4 2.6 scans 61% 184 m/z 8.1% 0.00684% 476 1.0 52 3353 0.0111% 47156 43562 76482 0-4 6: 184 285 134 174 77 86 0.963 11.06 1.9 88 86 82 95 285 16.3 9.884 0.031 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1018 Uracil 11.1502 1330.7 2.5 scans 59% 241 m/z 7.1% 0.00589% 481 1.1 49 3836 0.00630% 40632 40632 43408 0-0 6: 241 256 99 255 242 113 0.906 11.15 0.1 94 94 85 99 256 16.6 11.673 0.002 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1164 Itaconic acid 11.2280 1335.4 2.8 scans 68% 147 m/z 3.4% 0.0132% 489 0.7 66 7944 0.159% 91459 77496 1095546 0-3 7: 147 73 259 148 215 268 166 0.918 11.25 -1.5 84 80 83 93 259 11.8 3.211 -0.024 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1162 Fumaric acid 11.3858 1344.9 2.6 scans 96% 245 m/z 0.038% 0.905% 504 0.6 579 708535 6238637 5852492 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 155 84 74 53 59 157 61 58 0.999 11.39 -0.4 100 99 98 99 245 329.3 32.420 -0.007 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4700 1350.0 3.7 scans 32% 57 m/z (204) 1.4% 0.0399% 512 1.0 102 19257 0.0814% 275584 258245 560864 0-1 12: 57 145 97 115 56 127 69 129 111 109 128 87 0.725 11.45 1.5 86 84 93 99 145 29.0 8.121 0.024 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4847 1350.9 6.0 scans 72% TIC 0.48% 0.0842% 513 0.7 168 56383 0.843% 580505 579941 5808461 1-0 0.811 10.96 31.9 87 85 94 98 161 38.1 5.146 0.529 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1020 Serine 11.5111 1352.4 >3 scans 85% TIC 0.67% 0.105% 516 1.2 176 40483 0.992% 723691 672698 6835104 0-2 0.999 11.51 -0.2 97 95 95 99 306 17.1 0.950 -0.002 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1160 Serine 11.5153 1352.7 2.7 scans 75% 204 m/z (84) 0.69% 0.0753% 516 1.1 166 39256 519039 475837 3-1 15: 204 73 218 205 100 219 278 206 74 306 220 189 216 203 114 0.976 11.56 -2.5 94 95 91 98 306 16.7 1.013 -0.042 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1022 Thymine 11.6015 1357.9 2.7 scans 60% 255 m/z 4.3% 0.00496% 524 1.1 43 6242 34193 33006 1-1 4: 255 270 256 257 0.963 11.60 0.1 97 97 87 97 270 16.0 13.544 0.003 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1154 Threonine 11.9246 1377.3 2.7 scans 85% 73 m/z 1.5% 0.0367% 555 1.1 116 17515 0.0394% 253266 217673 271475 6-3 20: 73 218 219 117 291 292 220 101 147 57 100 74 128 203 132 293 75 118 320 129 0.999 11.96 -2.2 97 96 94 97 320 11.0 0.886 -0.035 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1024 Threonine 11.9246 1377.3 2.7 scans 87% TIC 1.4% 0.0423% 555 0.8 118 18907 0.0481% 291888 252328 331420 4-1 0.986 11.92 0.2 98 98 96 98 320 10.9 0.859 0.004 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2840 1461.9 2.8 scans 79% 247 m/z (155) 1.5% 0.0359% 684 1.1 113 17845 247666 242237 1-1 13: 247 248 259 115 349 231 203 233 321 69 185 85 322 0.991 13.31 -1.4 95 96 95 96 349 14.4 1.616 -0.022 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1148 Glutamine?? 13.3124 1463.7 2.7 scans 74% 155 m/z (247) 1.2% 0.0290% 687 0.8 101 22231 0.0308% 199972 185790 212219 1-1 8: 155 156 318 229 139 100 84 319 0.988 13.35 -2.2 84 81 90 96 257 7.8 0.591 -0.035 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1146 Malic acid 13.6165 1482.8 6.0 scans 98% 73 m/z 0.0093% 11.5% 716 0.2 1449 2911815 79677673 79648749 1-0 20: 73 147 233 245 133 189 190 75 175 148 191 74 335 149 101 55 234 265 217 307 1.000 13.62 0.0 100 99 99 100 350 39.3 0.074 -0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1142 Erythritol/Threitol 13.7196 1489.3 2.8 scans 79% 73 m/z 1.7% 0.0268% 725 1.0 104 15331 7.65% 185153 184212 52710231 0-1 15: 73 217 147 205 103 189 117 191 293 206 74 116 320 148 101 0.943 13.89 -10.8 93 92 93 97 320 9.2 0.788 -0.170 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0300 1509.4 2.4 scans 39% 232 m/z 0.79% 0.0320% 755 1.3 113 34564 220965 212788 1-2 14: 232 233 100 218 234 202 188 216 219 221 334 292 220 203 0.982 14.02 0.9 88 86 87 93 258 4.1 0.000 0.013 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1140 Aspartic acid 14.0300 1509.4 2.4 scans 54% 232 m/z (156) 0.79% 0.0444% 755 1.3 132 34523 306057 294731 1-2 14: 232 233 100 218 234 202 188 216 219 221 334 292 220 203 0.952 14.09 -3.7 89 90 84 94 349 8.2 0.387 -0.057 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0616 1511.4 3.2 scans 92% TIC 0.15% 0.268% 758 0.6 280 174692 1850410 1754017 2-1 0.994 14.11 -3.3 93 89 95 99 273 11.0 0.155 -0.048 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1032 GABA 14.1973 1520.4 3.0 scans 88% TIC 0.45% 0.102% 771 1.5 188 59855 0.329% 709672 611754 2266884 0-5 0.996 14.19 0.6 99 98 97 98 304 57.4 9.322 0.009 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3646 1531.5 2.8 scans 89% TIC 0.67% 0.0904% 787 0.7 165 40664 0.797% 623005 531569 5491510 2-4 0.986 14.62 -17.1 98 97 96 98 409 12.0 0.530 -0.256 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6150 1548.1 2.5 scans 97% 73 m/z 0.11% 0.427% 811 1.0 406 230734 2945111 2945111 0-0 20: 73 292 147 220 205 293 217 117 103 294 221 148 74 133 319 291 75 149 206 102 0.997 14.69 -5.1 100 99 98 99 409 30.5 0.565 -0.077 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3810 1598.9 2.6 scans 67% 217 m/z 1.5% 0.0156% 883 1.1 83 18167 0.0263% 107701 107701 181213 0-0 6: 217 218 219 230 133 103 0.957 15.44 -4.1 95 95 91 95 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1036 Glutamic acic 15.5041 1607.4 2.2 scans 60% 246 m/z 4.4% 0.00638% 895 1.1 54 6093 43980 43980 0-0 4: 246 128 247 348 0.959 15.50 0.0 94 93 92 99 363 4.8 0.817 0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1118 Phenylalanine 15.6094 1614.7 2.7 scans 65% 218 m/z (267) 2.4% 0.0220% 905 1.1 90 11232 151594 139797 2-1 6: 218 192 219 100 220 266 0.907 15.66 -3.5 91 94 83 96 294 5.6 0.390 -0.050 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1040 Xylose 16.0060 1642.3 2.6 scans 92% TIC 0.34% 0.150% 943 1.0 241 79643 0.215% 1039133 991346 1481399 2-1 0.987 16.00 0.2 96 93 96 99 307 65.6 7.401 0.002 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1042 Ribose 16.1039 1649.1 2.5 scans 87% TIC 1.0% 0.0436% 952 0.9 134 26348 0.107% 300827 291046 737254 1-0 0.991 16.10 0.1 97 95 96 99 307 37.1 7.707 0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.2259 1657.6 2.9 scans 45% 290 m/z 3.5% 0.00702% 964 1.7 46 7665 48417 42863 1-3 6: 290 291 392 292 158 156 0.904 16.28 -3.5 89 88 59 93 392 9.0 3.797 -0.050 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6142 1684.5 2.7 scans 87% TIC 1.0% 0.0548% 1001 1.3 146 26118 0.101% 377969 357066 695913 1-0 0.997 16.68 -4.3 100 99 98 99 497 3.3 0.052 -0.062 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9972 1711.7 2.8 scans 86% 73 m/z 0.87% 0.0670% 1037 1.2 159 31198 0.224% 462307 450656 1543411 0-3 20: 73 217 147 205 305 319 103 307 218 204 189 306 129 206 74 277 219 332 308 320 0.993 17.06 -4.8 97 96 95 97 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1044 Putrescine 17.1887 1725.7 2.7 scans 57% 174 m/z (73) 2.1% 0.0125% 1055 1.2 68 12701 86145 82052 1-1 8: 174 175 214 176 172 86 200 100 0.964 17.19 0.1 80 77 84 94 376 3.8 0.314 0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1096 Putrescine 17.1887 1725.7 2.7 scans 45% 174 m/z 2.1% 0.00970% 1055 1.2 60 12738 66847 63671 1-1 8: 174 175 214 176 172 86 200 100 0.980 17.25 -4.3 95 96 94 96 458 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3813 1739.7 3.7 scans 71% TIC 2.1% 0.0266% 1073 1.6 94 12911 0.271% 183695 183695 1867251 0-0 0.896 17.44 -4.6 94 96 91 96 511 6.2 0.437 -0.062 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5675 1753.3 2.7 scans 91% 217 m/z 0.19% 0.199% 1091 1.0 274 143681 0.290% 1377986 1340608 1998166 0-1 20: 217 73 218 147 219 450 75 74 451 232 133 305 191 257 129 148 149 230 215 220 0.996 17.63 -4.7 97 97 96 97 450 40.1 2.151 -0.064 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7022 1763.2 3.0 scans 79% 73 m/z (117) 0.53% 0.181% 1104 0.7 216 51322 0.256% 1251688 1105388 1763898 1-1 19: 73 334 204 256 129 147 335 75 257 255 375 336 167 149 258 285 133 211 166 0.987 17.70 0.3 96 98 96 98 375 24.7 1.302 0.003 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1086 Fructofuranose 18.0694 1790.0 2.8 scans 93% TIC 0.080% 0.741% 1139 1.3 508 340985 1.77% 5107287 4634080 12195700 1-0 1.000 18.13 -4.6 96 94 95 98 437 146.7 8.372 -0.065 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1084 Shikimic acid 18.1325 1794.6 2.7 scans 41% 204 m/z 0.20% 0.0982% 1145 1.1 205 132025 0.156% 676994 676994 1074875 0-0 17: 204 205 206 357 255 254 372 462 282 447 358 373 256 331 356 267 167 0.957 18.20 -4.6 98 98 96 99 462 21.4 1.091 -0.064 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1082 Citric acid 18.2472 1803.1 3.3 scans 47% 73 m/z (191 370) 0.55% 0.138% 1156 1.7 190 49199 0.816% 955903 806646 5622425 0-9 20: 73 147 363 274 465 75 258 148 74 275 149 364 257 348 376 466 72 183 131 377 0.945 18.32 -5.6 85 88 80 92 465 25.5 1.806 -0.074 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5965 1829.7 4.6 scans 84% 73 m/z 0.55% 0.156% 1189 1.0 194 49588 0.198% 1080652 975469 1364265 3-0 18: 73 191 147 129 74 189 133 117 148 75 347 332 203 175 149 131 271 221 0.966 18.67 -5.6 90 90 91 93 319 39.9 4.232 -0.072 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1076 Pregnane?? 18.7902 1844.5 3.2 scans 97% 345 m/z 0.029% 2.12% 1207 0.9 809 922677 14611911 14602505 0-1 20: 345 73 346 255 147 347 204 334 256 191 419 435 372 133 257 74 148 348 239 75 0.998 18.86 -5.2 100 100 99 100 537 62.1 0.592 -0.068 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1074 Adenine 18.8806 1851.4 3.1 scans 26% 264 m/z 3.7% 0.00681% 1216 1.5 46 7326 0.139% 46922 42367 957741 1-0 4: 264 279 265 266 0.985 18.94 -4.5 89 88 81 93 415 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1050 Fructose 19.0016 1860.6 6.8 scans 97% 73 m/z 0.014% 12.2% 1227 0.7 1372 1904267 84435399 82430995 1-1 20: 73 307 217 103 218 277 309 364 133 205 189 74 117 104 89 148 75 278 172 335 1.000 18.98 1.6 100 99 99 100 364 160.0 1.365 0.022 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1072 Fructose 19.0132 1861.5 7.1 scans 95% 101 m/z 0.015% 6.56% 1229 0.8 1326 1742066 11.4% 45223979 45223979 78548579 0-0 20: 101 84 146 58 88 232 99 85 555 229 70 300 270 57 466 144 176 352 215 286 0.999 19.03 -1.5 100 98 99 99 364 158.5 1.434 -0.020 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1052 Fructose 19.1353 1870.8 5.9 scans 99% 555 m/z 0.015% 9.79% 1240 0.6 1344 1770723 67480482 67080196 1-0 20: 555 556 302 311 188 268 569 377 280 448 344 524 557 290 98 151 171 241 343 329 0.999 19.10 2.4 100 99 99 99 364 162.1 1.460 0.031 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1070 Fructose 19.1426 1871.4 5.7 scans 87% 73 m/z (555) 0.014% 8.99% 1241 0.3 1301 1846627 27.7% 61976666 60736514 190859268 2-4 20: 73 307 217 103 147 308 277 218 309 364 205 262 74 133 189 219 104 117 89 148 0.991 19.19 -3.9 89 90 95 90 554 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1068 Galactopyranose 19.2500 1879.6 3.8 scans 77% 204 m/z 0.072% 0.712% 1251 1.3 472 376472 17.9% 4912059 4912059 123335050 0-0 19: 204 73 191 147 205 217 192 206 129 218 74 189 117 133 193 75 148 203 231 0.996 19.32 -4.9 97 96 95 98 435 33.1 0.494 -0.065 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1056 Glucose 19.3373 1886.2 >4 scans 73% 390 m/z 0.017% 5.18% 1259 0.4 1204 1526074 9.43% 35707040 35707040 64974834 0-0 15: 390 432 113 86 270 214 222 467 334 272 333 178 554 481 348 0.998 19.33 0.4 100 99 99 99 364 86.0 0.511 0.005 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1064 Mannose 19.3552 1887.6 5.9 scans 98% 322 m/z 0.011% 12.0% 1261 0.2 1480 2322143 82838538 82681053 1-0 20: 322 365 376 323 275 366 464 220 261 390 367 378 342 434 212 420 328 182 555 310 0.997 19.45 -7.6 100 99 99 100 319 596.1 16.287 -0.100 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN BRA4_R~2-N1004 Galactose 19.3615 1888.1 5.6 scans 81% 319 m/z (322) 0.011% 10.2% 1262 0.2 1398 2278497 10.6% 70638347 69390325 73036398 1-1 19: 319 73 205 147 160 320 217 321 103 206 117 229 157 133 129 189 74 161 148 0.957 19.36 -0.0 93 98 93 95 364 57.7 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1062 Glucose 19.5719 1904.3 3.1 scans 94% TIC 0.025% 3.42% 1282 0.4 1011 1086195 23591282 21610714 2-1 0.994 19.66 -6.8 100 99 98 99 319 390.2 14.967 -0.084 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7245 1916.6 3.1 scans 57% 73 m/z 3.9% 0.00980% 1296 1.0 71 6894 0.0706% 67539 66126 486450 1-0 13: 73 319 244 205 147 320 304 321 117 217 103 206 307 0.939 19.79 -5.3 86 86 82 89 434 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN N406_R~2-N1016 Galacturonic acid 19.7845 1921.4 2.7 scans 21% 333 m/z 6.5% 0.00335% 1302 1.0 37 4158 0.00936% 23091 22880 64493 1-1 4: 333 160 334 335 0.750 19.79 -0.7 89 92 84 92 423 5.7 2.390 -0.009 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1056 Ascorbic acid 19.9118 1931.7 3.3 scans 77% TIC 1.2% 0.0427% 1314 0.6 123 21073 0.106% 294357 294357 730364 0-0 0.973 19.99 -6.0 95 94 91 95 449 13.4 1.192 -0.074 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.3011 1963.0 2.3 scans 98% 204 m/z 0.029% 1.38% 1351 0.9 771 913250 9556830 9498088 1-0 20: 204 73 191 147 205 217 192 206 218 189 129 133 103 74 148 193 75 117 203 305 0.998 20.41 -9.0 99 97 98 98 217 168.4 4.789 -0.113 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1054 Gluconic acid 3 20.4726 1976.7 7.4 scans 61% TIC 1.8% 0.0209% 1367 1.2 112 14573 0.126% 144052 144052 868169 0-0 0.951 20.55 -6.2 91 91 83 92 613 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1052 Gluconic acid 2 20.5200 1980.5 2.9 scans 74% 73 m/z 1.5% 0.0388% 1372 0.8 123 17988 0.135% 267760 267760 930181 0-0 20: 73 292 319 333 205 293 359 103 320 294 277 433 321 117 189 307 435 334 206 219 0.993 20.60 -6.2 90 89 90 90 613 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN WTF2-N1038 C16:0 21.1439 2032.1 2.8 scans 85% 313 m/z 2.5% 0.0281% 1431 1.4 97 10524 193752 177190 1-3 18: 313 117 75 314 132 129 145 55 57 131 315 69 328 118 133 285 269 56 0.979 20.62 43.8 87 92 90 95 328 10.1 1.078 0.527 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.7079 2079.5 5.7 scans 97% 305 m/z 0.013% 13.0% 1485 0.3 1573 2096006 90121699 89983324 1-0 20: 305 73 217 318 147 191 306 319 265 204 218 307 432 320 433 367 129 133 291 148 0.997 21.75 -3.4 100 100 99 99 507 117.3 0.558 -0.041 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8647 2092.7 3.0 scans 95% 319 m/z 0.16% 0.472% 1500 1.0 387 162631 3257199 3015076 1-2 20: 319 73 205 147 320 217 103 262 321 206 117 204 133 74 229 148 89 129 157 218 0.999 21.93 -5.4 96 93 97 99 656 9.2 0.056 -0.065 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1940 2121.1 2.5 scans 93% TIC 0.30% 0.223% 1531 1.1 303 88600 0.303% 1537060 1471279 2087739 1-0 0.996 22.19 0.6 92 88 86 100 396 115.4 14.530 0.008 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6728 2162.9 3.5 scans 84% 204 m/z 1.4% 0.0379% 1576 1.6 97 18847 0.0719% 261145 240961 495407 1-0 16: 204 73 205 147 206 217 361 131 117 191 218 74 129 103 133 189 0.986 22.71 -3.6 98 97 96 98 518 0.0 0.000 -0.041 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN WTF2-N1036 C18:0 23.3977 2227.5 3.5 scans 76% 341 m/z 6.6% 0.0140% 1645 2.3 58 4119 0.0171% 96634 90944 117823 1-1 9: 341 117 129 342 132 145 55 356 57 0.990 22.89 45.7 85 92 82 92 356 8.5 2.171 0.509 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1248 2293.9 2.7 scans 80% TIC 3.4% 0.0132% 1714 0.9 64 7951 0.0135% 91441 71286 93018 4-3 0.969 24.01 10.4 92 93 88 92 490 0.0 0.000 0.115 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6540 2344.0 3.5 scans 91% 73 m/z 0.57% 0.177% 1765 0.6 207 47246 1226251 1191932 2-1 20: 73 331 147 191 217 307 262 205 421 103 319 332 305 259 308 192 218 74 376 148 0.972 24.65 0.4 99 98 96 99 466 12.8 0.382 0.004 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7477 2352.9 2.7 scans 80% TIC 4.8% 0.0136% 1774 1.1 70 5633 0.0215% 93869 82425 148140 1-7 0.986 24.81 -5.5 88 88 83 88 451 8.3 1.410 -0.057 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5333 2529.0 3.4 scans 79% TIC 2.5% 0.0357% 1943 1.4 102 10737 0.0380% 246543 226906 261829 4-1 0.913 26.57 -4.1 97 97 87 96 512 37.6 13.671 -0.040 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN WTF2-N1032 Sucrose 26.6532 2541.3 3.0 scans 62% 361 m/z 13% 0.00552% 1955 1.0 43 2088 38035 38035 0-0 3: 361 437 273 0.949 26.87 -22.4 83 85 78 85 451 5.0 1.343 -0.217 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1020 Sucrose 27.4003 2619.1 6.6 scans 10% 438 m/z (361) 0.049% 1.33% 2026 1.1 466 547405 9185883 9024470 1-1 11: 438 439 454 348 464 455 379 375 336 468 350 0.857 27.46 -6.5 95 97 95 99 437 289.4 38.696 -0.061 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1010 Sucrose 27.4003 2619.1 6.6 scans 98% 438 m/z 0.0086% 12.8% 2026 1.1 1454 3150648 88208914 86658920 1-1 11: 438 439 454 348 464 455 379 375 336 468 350 0.998 27.58 -19.1 100 99 98 99 437 289.4 3.992 -0.179 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1018 Sucrose 27.4119 2620.4 6.2 scans 47% 363 m/z (73) 0.0086% 6.12% 2027 0.3 1020 3147661 42232114 41479714 1-1 18: 363 305 359 366 334 374 194 442 466 308 211 224 280 482 281 431 391 283 0.932 27.47 -6.1 88 91 55 89 437 291.0 8.199 -0.058 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN TAB_REP6-N1070 Sucrose 27.4171 2620.9 6.3 scans 91% 361 m/z (437) 0.0092% 12.0% 2027 0.3 1421 2951935 82920402 81238918 1-1 20: 361 362 331 320 321 259 450 233 435 220 317 346 274 151 265 223 463 277 154 70 1.000 27.41 0.8 88 86 73 98 451 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1016 Sucrose 27.4213 2621.4 5.8 scans 49% 73 m/z (361) 0.017% 6.05% 2028 0.3 1053 1548555 41693938 39896245 1-1 20: 73 217 147 103 271 169 129 218 243 319 191 74 219 133 205 230 189 117 272 75 0.967 27.48 -5.9 88 90 95 93 437 16.8 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1008 Sucrose 27.4213 2621.4 5.8 scans 99% 73 m/z 0.0085% 11.9% 2028 0.3 1498 3203490 82473507 78917545 1-1 20: 73 217 147 103 271 169 129 218 243 319 191 74 219 133 205 230 189 117 272 75 0.999 27.59 -18.1 100 99 98 99 437 289.3 3.752 -0.170 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN LQC1-N1006 Trehalose 28.3799 2725.0 2.9 scans 56% TIC 12% 0.00268% 2119 0.7 32 2216 0.00915% 18468 13740 63046 0-3 0.939 28.47 -9.9 87 89 69 89 565 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel polar\N419_REP4.FIN GUA35_L1-N1020 Galactinol 30.6495 2984.7 3.3 scans 87% 204 m/z 4.3% 0.0111% 2335 1.2 54 6235 0.0119% 76519 60015 81994 7-15 9: 204 191 205 73 217 361 147 206 305 0.984 30.55 12.3 81 81 83 81 641 0.0 0.000 0.104 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN EXBLK5S-N1006 Contamination 6.3448 1046.7 10.4 scans 46% 207 m/z 2.9% 0.0675% 24 1.4 62 8968 0.101% 325854 245637 487343 4-6 4: 207 208 296 191 0.975 6.63 -16.6 95 95 85 95 295 20.4 10.872 -0.280 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1194 Alanine 7.4086 1109.8 13.2 scans 56% TIC 3.2% 0.0383% 126 1.9 63 8049 0.0922% 185220 185220 444882 0-0 0.907 7.40 0.3 89 91 86 92 283 6.3 1.006 0.005 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN A-KETO~2-N1006 Contamination?? 7.9589 1142.4 2.6 scans 73% 156 m/z 2.6% 0.0199% 178 1.0 77 9961 0.0218% 96394 88270 105189 7-2 8: 156 75 55 157 54 61 158 76 0.972 7.96 0.2 98 98 96 98 156 40.6 27.774 0.002 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1192 Contamination 8.0399 1147.2 2.6 scans 68% TIC 4.1% 0.0142% 186 1.3 69 6347 0.0525% 68774 63404 253322 0-3 0.939 7.99 3.0 93 94 89 94 235 12.9 3.486 0.051 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN WTF2-N1026 Cadaverine NC 8.1862 1155.8 4.6 scans 55% 174 m/z 4.9% 0.0178% 200 0.7 47 5334 0.0208% 86074 67557 100364 0-8 7: 174 160 175 216 176 86 130 0.986 7.74 26.6 90 92 85 92 216 12.5 7.106 0.450 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1188 Contamination 8.3724 1166.9 4.4 scans 85% 281 m/z 1.0% 0.128% 217 1.5 133 25583 0.137% 621115 464452 661050 6-0 20: 281 147 73 369 282 371 283 265 249 370 148 191 251 250 193 266 267 284 372 149 0.994 8.41 -2.5 98 97 83 100 369 38.0 8.123 -0.043 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1190 Contamination 8.4776 1173.1 3.5 scans 55% 73 m/z 5.2% 0.0130% 227 1.1 54 5053 0.0392% 62985 62940 189147 0-2 11: 73 140 211 84 198 77 186 70 117 215 126 0.942 8.48 -0.4 85 84 78 90 309 4.2 0.598 -0.006 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1186 Phosphate 8.5828 1179.4 2.5 scans 54% 241 m/z 5.2% 0.00725% 237 1.2 47 5063 34993 33149 2-1 7: 241 211 242 163 133 256 243 0.856 8.56 1.4 92 92 78 94 299 0.0 0.000 0.022 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1184 Valine 9.1994 1215.7 4.6 scans 53% 144 m/z 5.9% 0.00914% 296 0.4 38 4433 44132 38074 5-1 3: 144 218 145 0.910 9.19 0.7 91 92 77 91 218 12.9 11.367 0.011 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1180 Benzoic acid 9.7602 1248.5 3.2 scans 62% 179 m/z 6.8% 0.0100% 349 0.8 47 3882 48536 45048 2-1 5: 179 105 135 77 180 0.966 9.76 0.0 96 96 89 96 194 6.8 2.061 0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1178 Ethanolamine 10.0012 1262.6 4.9 scans 80% 174 m/z 1.6% 0.0467% 372 1.0 83 15740 0.200% 225525 207555 965036 1-0 8: 174 73 175 176 86 100 133 130 0.993 10.03 -1.9 96 95 92 97 262 8.7 1.094 -0.033 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN VEN77_S6-N1002 Glycerol 10.0927 1268.0 2.6 scans 94% TIC 0.055% 0.803% 381 0.9 479 480398 3875060 3793850 1-2 0.988 10.09 -0.0 100 99 96 100 299 282.3 34.879 -0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2548 1277.5 2.9 scans 67% 73 m/z 4.0% 0.00959% 396 1.5 52 6627 0.0125% 46276 46276 60315 0-0 6: 73 198 211 77 70 199 0.939 10.24 0.9 92 92 85 92 381 5.6 1.121 0.015 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1176 Isoleucine 10.4410 1288.4 3.2 scans 32% 158 m/z 8.5% 0.00356% 414 0.9 28 3097 0.00379% 17210 16817 18287 0-2 3: 158 218 159 0.785 10.46 -1.0 88 91 58 89 260 0.0 0.000 -0.018 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1012 Proline 10.5283 1293.5 3.4 scans 81% 142 m/z (180) 0.68% 0.0679% 422 0.8 112 38678 0.725% 327769 266881 3498255 5-0 11: 142 73 143 216 144 74 72 66 59 70 133 0.994 10.53 -0.3 96 97 95 97 216 20.7 3.408 -0.005 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6199 1298.8 2.5 scans 98% 147 m/z 0.037% 1.12% 431 0.7 581 716531 5417055 5414171 1-0 20: 147 73 245 148 75 149 83 133 74 115 246 143 59 84 126 170 58 72 215 66 0.999 10.60 1.0 98 97 98 98 245 133.6 5.301 0.018 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1170 Glycine 10.6683 1301.7 4.2 scans 47% 174 m/z (147) 4.0% 0.0117% 435 0.9 47 6513 0.0472% 56687 56687 227748 0-0 7: 174 175 248 276 86 176 249 0.970 10.69 -1.1 85 87 65 88 276 9.2 3.866 -0.019 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7546 1306.9 2.9 scans 93% TIC 0.040% 1.33% 444 1.0 552 647512 6431231 5722000 2-3 0.989 10.76 -0.2 99 98 96 100 251 124.9 5.138 -0.003 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1168 Glyceric acid 11.0250 1323.2 2.5 scans 97% 73 m/z 0.23% 0.299% 469 1.1 299 114535 0.302% 1444130 1438400 1457204 1-0 20: 73 147 189 292 133 103 205 293 102 117 148 190 74 75 307 294 149 59 101 191 0.998 11.05 -1.7 100 99 99 100 292 85.6 8.169 -0.029 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0881 1327.0 3.2 scans 62% TIC 13% 0.00515% 475 0.9 41 1948 0.221% 24879 24294 1066365 0-1 0.941 11.06 1.5 91 94 81 94 285 13.0 10.009 0.025 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1018 Uracil 11.1460 1330.5 2.6 scans 54% 241 m/z 12% 0.00426% 481 1.2 36 2170 0.00440% 20560 20560 21231 0-0 6: 241 99 255 256 183 242 1.000 11.15 -0.1 96 97 97 99 256 12.8 12.571 -0.002 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1164 Itaconic acid 11.2238 1335.1 2.5 scans 65% 147 m/z 5.1% 0.00965% 488 0.9 53 5171 0.0102% 46578 40166 49217 3-2 4: 147 215 259 148 0.917 11.25 -1.8 84 82 82 92 259 10.6 4.037 -0.028 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1162 Fumaric acid 11.3785 1344.5 2.4 scans 98% 245 m/z 0.047% 0.952% 503 0.7 548 558513 4595419 4595419 0-0 20: 245 147 73 246 75 143 247 83 133 148 149 115 53 155 74 84 157 59 58 61 0.999 11.39 -0.8 100 99 98 99 245 304.4 30.974 -0.014 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4659 1349.7 3.6 scans 36% 57 m/z 1.8% 0.0346% 511 1.0 84 14349 0.0717% 167285 155205 345965 0-1 11: 57 145 97 115 127 56 69 109 111 128 71 0.727 11.45 1.2 89 90 85 96 145 25.6 9.344 0.020 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN WTF2-N1024 Contamination 10.96min 11.4816 1350.7 5.8 scans 78% TIC 0.54% 0.114% 513 0.7 164 48657 0.953% 550829 530451 4598396 2-0 0.871 10.96 31.7 90 90 94 99 161 37.3 5.168 0.526 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1160 Serine 11.5121 1352.5 2.7 scans 75% 204 m/z (84) 1.1% 0.0715% 516 1.0 137 24106 345344 317998 3-2 14: 204 73 218 205 100 278 219 220 306 74 203 207 216 279 0.977 11.56 -2.7 94 95 90 97 306 14.8 1.168 -0.045 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1020 Serine 11.5121 1352.5 2.7 scans 72% 204 m/z 1.1% 0.0660% 516 1.0 134 24108 318496 293276 3-2 14: 204 73 218 205 100 278 219 220 306 74 203 207 216 279 0.949 11.51 -0.1 96 96 90 97 306 14.8 1.226 -0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN BRA4_R~2-N1008 Thymine 11.5995 1357.8 2.7 scans 44% 255 m/z 9.9% 0.00263% 524 0.8 28 2666 12699 12699 1-0 3: 255 270 256 0.906 11.58 1.0 96 97 81 97 270 10.8 15.470 0.015 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1154 Threonine 11.9204 1377.1 2.7 scans 90% TIC 1.8% 0.0482% 554 1.1 106 14277 0.0497% 232727 203329 239811 6-2 0.994 11.96 -2.4 97 96 94 97 320 9.0 0.725 -0.040 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2809 1461.7 2.7 scans 69% 247 m/z (155) 2.4% 0.0330% 684 1.0 94 10974 159422 144174 1-1 10: 247 259 115 231 349 233 249 203 217 189 0.993 13.31 -1.6 94 96 93 96 349 11.6 1.526 -0.025 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1148 Glutamine?? 13.3072 1463.4 2.8 scans 68% 155 m/z (247) 1.8% 0.0263% 686 1.0 83 14399 0.0350% 127306 127306 168881 0-0 7: 155 156 229 139 100 157 59 0.987 13.35 -2.5 87 86 89 96 257 6.0 0.517 -0.040 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1146 Malic acid 13.6060 1482.2 5.8 scans 99% 73 m/z 0.0093% 15.4% 715 0.3 1463 2829316 74460055 74278835 2-0 20: 73 147 233 245 133 189 75 190 148 74 335 191 175 55 101 149 234 217 59 265 0.998 13.62 -0.6 100 100 99 100 350 38.4 0.069 -0.011 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1142 Erythritol/Threitol 13.7155 1489.1 2.6 scans 79% 73 m/z 2.0% 0.0269% 725 1.2 94 12938 9.22% 129824 123649 44488152 0-1 15: 73 217 147 205 103 307 204 117 189 218 191 206 74 293 148 0.937 13.89 -11.0 92 90 90 94 320 8.1 0.751 -0.175 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0279 1509.2 2.5 scans 30% 232 m/z 1.5% 0.0224% 755 1.3 80 17223 108333 103304 1-2 7: 232 218 233 100 234 202 188 0.980 14.02 0.7 88 87 82 92 258 4.2 0.000 0.011 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0574 1511.2 3.2 scans 92% TIC 0.23% 0.250% 758 0.6 236 114979 1209686 1186298 1-0 0.980 14.03 1.9 97 95 98 99 258 45.7 3.750 0.027 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0574 1511.2 3.0 scans 91% 156 m/z 0.22% 0.227% 758 0.8 235 117116 1098085 1082498 1-0 18: 156 73 147 157 230 258 158 74 259 231 72 59 148 140 86 55 58 112 0.979 14.11 -3.5 97 95 96 99 273 9.7 0.171 -0.053 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1032 GABA 14.1952 1520.3 2.6 scans 87% 174 m/z 0.47% 0.130% 771 1.1 189 55299 628614 577898 3-4 17: 174 304 147 175 305 176 86 216 59 130 100 306 246 172 133 148 156 0.995 14.19 0.5 99 98 97 98 304 58.5 9.639 0.007 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3373 1529.7 2.7 scans 24% 239 m/z 10% 0.00387% 784 1.2 33 2450 18685 18685 0-0 5: 239 342 343 240 174 0.832 14.37 -2.5 86 87 50 90 342 15.7 22.315 -0.037 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3615 1531.3 2.7 scans 91% TIC 0.98% 0.0834% 786 0.9 140 27023 0.762% 402515 337249 3676787 5-9 0.999 14.62 -17.3 97 96 95 97 409 10.5 0.559 -0.260 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6109 1547.9 2.4 scans 97% 73 m/z 0.13% 0.467% 810 1.0 387 199747 2254920 2188995 1-1 20: 73 292 147 220 205 217 293 117 103 221 133 148 74 294 319 75 291 206 149 102 0.999 14.69 -5.3 100 99 98 99 409 28.6 0.546 -0.081 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3779 1598.7 2.5 scans 75% 217 m/z 1.2% 0.0255% 883 1.1 100 21570 0.0453% 123416 123416 218581 0-0 10: 217 73 218 219 103 215 74 129 189 230 0.958 15.44 -4.3 95 95 92 95 393 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1036 Glutamic acic 15.5021 1607.3 2.4 scans 44% 246 m/z 10% 0.00294% 895 1.0 31 2631 14185 14185 0-0 3: 246 247 128 0.883 15.50 -0.1 92 94 75 94 363 0.0 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1118 Phenylalanine 15.6052 1614.5 2.8 scans 85% 218 m/z (267) 2.5% 0.0272% 905 1.3 85 10398 131282 123291 1-1 6: 218 192 219 100 266 220 0.981 15.66 -3.7 92 93 91 96 294 3.8 0.196 -0.054 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1038 Xylose 15.8872 1634.0 5.6 scans 68% 217 m/z 3.9% 0.0233% 931 1.5 73 6644 0.130% 112493 108794 627273 2-0 10: 217 73 103 307 218 308 219 189 160 277 0.988 15.89 -0.2 88 84 84 96 307 20.2 7.558 -0.003 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1040 Xylose 16.0019 1642.0 2.6 scans 89% TIC 0.72% 0.0978% 942 1.0 167 36485 472023 466136 1-0 0.967 16.00 -0.1 98 97 97 100 307 43.5 6.743 -0.002 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1042 Ribose 16.1018 1648.9 2.6 scans 81% 73 m/z 2.2% 0.0257% 952 0.8 90 11647 0.191% 124053 122909 921609 2-0 16: 73 103 307 217 160 147 308 189 309 218 133 74 104 205 89 117 0.995 16.10 -0.1 97 96 95 98 307 26.2 8.380 -0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.2260 1657.6 2.8 scans 45% 290 m/z 5.2% 0.00629% 964 1.9 37 5052 30375 26503 1-3 4: 290 291 292 158 0.931 16.28 -3.5 88 90 59 93 392 6.9 3.478 -0.050 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1110 Ribose 16.3165 1663.9 2.5 scans 40% 103 m/z 5.2% 0.0136% 972 0.9 61 5058 0.0138% 66055 57109 66587 3-5 8: 103 307 308 160 189 277 309 89 0.896 16.38 -4.1 86 88 81 89 467 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6121 1684.4 2.6 scans 84% 307 m/z 1.8% 0.0449% 1000 1.4 114 14688 0.0562% 217046 217046 271175 0-0 16: 307 319 217 103 205 308 129 218 321 306 277 229 148 149 157 243 0.992 16.68 -4.4 98 98 96 98 497 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9236 1706.3 2.7 scans 79% 73 m/z 1.9% 0.0328% 1030 1.1 107 13699 0.188% 158420 158420 907134 0-0 20: 73 217 147 205 103 319 307 318 218 129 204 308 320 148 189 206 133 243 74 219 0.996 16.99 -4.8 95 95 94 95 422 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9951 1711.5 3.2 scans 86% TIC 1.1% 0.0819% 1037 1.3 141 23637 0.259% 395341 395259 1249721 0-1 0.978 17.06 -5.0 92 92 90 91 510 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1096 Putrescine 17.1866 1725.5 2.7 scans 36% 174 m/z 4.6% 0.00574% 1055 1.3 40 5681 27711 27711 1-0 4: 174 175 214 86 0.974 17.25 -4.5 87 86 84 90 458 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3802 1739.7 3.7 scans 74% TIC 2.3% 0.0317% 1073 1.2 88 11467 0.292% 153154 150440 1408952 1-0 0.941 17.44 -4.6 93 93 90 94 511 5.0 0.314 -0.063 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5644 1753.1 2.7 scans 90% 217 m/z 0.30% 0.171% 1091 0.9 219 86608 0.265% 826105 734668 1278672 0-2 19: 217 73 218 147 219 450 74 305 75 232 451 257 191 129 149 203 148 59 169 0.996 17.63 -4.9 97 96 96 97 450 30.4 1.931 -0.068 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6959 1762.7 2.6 scans 71% 334 m/z (117) 0.93% 0.0988% 1103 1.1 163 28534 476743 454458 2-3 10: 334 204 256 335 255 375 166 336 151 211 0.971 17.70 -0.2 95 97 93 97 375 18.3 1.253 -0.003 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1086 Fructofuranose 18.0610 1789.3 >3 scans 88% TIC 0.62% 0.116% 1138 1.5 170 42505 0.636% 561001 521121 3068814 2-0 0.993 18.13 -5.3 97 96 93 97 437 48.7 8.179 -0.073 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1252 1794.0 2.5 scans 76% 204 m/z 0.27% 0.180% 1144 1.1 231 97027 869639 799016 5-3 13: 204 205 206 357 255 372 254 331 462 358 282 373 447 0.977 18.13 0.0 94 93 92 96 372 28.0 1.468 0.000 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1048 Citric acid 18.2473 1803.1 2.7 scans 57% 273 m/z 1.1% 0.0686% 1156 1.1 137 23012 0.0935% 331205 299096 451154 3-1 15: 273 274 363 375 465 211 183 305 221 364 466 377 72 67 285 0.942 18.24 0.3 94 93 87 97 465 19.6 2.031 0.003 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1076 Pregnane?? 18.7849 1844.1 2.6 scans 97% 345 m/z 0.031% 2.30% 1207 0.8 816 845365 11126095 10776388 1-1 20: 345 73 346 255 147 347 204 334 191 256 435 419 133 74 257 372 148 75 348 239 0.998 18.86 -5.6 100 100 99 100 537 61.2 0.566 -0.073 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1074 Adenine 18.8796 1851.3 3.3 scans 29% 264 m/z 6.5% 0.00540% 1216 1.2 35 4048 0.0637% 26086 26086 307364 0-0 4: 264 279 265 266 0.980 18.94 -4.6 84 82 76 93 415 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1072 Fructose 18.9880 1859.6 4.5 scans 97% 73 m/z 0.015% 10.4% 1226 0.4 1347 1757586 50585060 48384225 1-1 20: 73 217 307 103 147 308 277 218 133 309 364 189 205 117 74 219 104 148 89 191 1.000 19.03 -3.4 100 98 99 100 364 155.5 1.338 -0.045 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1070 Fructose 19.1122 1869.0 3.9 scans 70% 73 m/z (319) 0.016% 5.73% 1238 0.5 1071 1603757 27662803 26994365 1-1 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 262 117 219 89 189 104 148 0.890 19.19 -6.3 83 94 79 85 554 44.4 0.000 -0.082 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1052 Fructose 19.1122 1869.0 3.9 scans 97% 73 m/z 0.017% 7.77% 1238 0.5 1259 1532490 37518294 36611710 1-1 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 262 117 219 89 189 104 148 1.000 19.10 0.6 100 99 100 100 364 146.8 1.365 0.008 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1068 Galactopyranose 19.2300 1878.0 3.5 scans 79% 204 m/z 0.42% 0.191% 1249 0.9 233 62965 18.4% 925281 925281 88783297 0-0 18: 204 73 205 147 217 206 192 129 74 218 117 189 305 133 193 149 72 131 0.938 19.32 -6.5 88 85 85 94 435 13.1 0.316 -0.085 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1064 Mannose 19.3310 1885.7 4.7 scans 98% 319 m/z 0.012% 13.0% 1259 0.4 1510 2134299 63158276 63066738 1-0 20: 319 73 205 147 160 320 217 321 103 206 117 229 74 157 129 133 148 189 207 161 0.996 19.45 -9.5 100 99 99 100 319 595.0 15.593 -0.124 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1062 Glucose 19.5520 1902.7 2.6 scans 97% TIC 0.032% 2.78% 1280 0.6 873 825849 13439369 13396163 2-0 0.995 19.66 -8.4 100 99 98 99 319 321.6 13.605 -0.104 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1059 Glucose 19.5520 1902.7 2.6 scans 96% 319 m/z (267) 0.033% 2.70% 1280 0.6 867 801205 13075388 13048352 1-0 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 74 129 204 157 148 89 189 0.999 19.55 0.0 98 99 99 100 376 33.6 0.151 -0.000 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7172 1916.0 3.1 scans 64% 73 m/z 4.2% 0.0123% 1295 1.0 67 6299 0.0623% 59437 58763 300609 1-0 11: 73 147 244 319 205 304 320 117 217 103 148 0.937 19.79 -5.9 87 88 83 87 434 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN N406_R~2-N1016 Galacturonic acid 19.7729 1920.5 2.6 scans 21% 333 m/z 12% 0.00273% 1301 0.9 28 2191 0.00277% 13182 12188 13366 1-0 3: 333 160 334 0.934 19.79 -1.6 85 87 79 87 423 3.8 1.871 -0.020 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1056 Ascorbic acid 19.9013 1930.8 2.6 scans 65% 332 m/z 3.7% 0.0175% 1313 0.9 73 7102 84801 84801 1-0 4: 332 374 345 359 0.942 19.99 -6.9 90 90 83 91 449 8.0 1.224 -0.085 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2843 1961.6 2.7 scans 95% 204 m/z 0.22% 0.339% 1349 1.2 307 120160 1636727 1624924 0-1 20: 204 73 191 147 205 217 192 206 129 218 74 133 75 193 291 117 435 149 72 231 0.972 20.41 -10.4 97 95 96 98 217 69.3 5.089 -0.130 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1054 Gluconic acid 3 20.4611 1975.8 3.0 scans 79% 73 m/z 1.7% 0.0362% 1366 1.6 112 15205 0.0994% 174942 174942 479623 0-0 20: 73 319 147 205 359 103 204 305 435 148 320 217 117 189 74 206 307 277 133 149 0.974 20.55 -7.1 93 92 89 93 613 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1052 Gluconic acid 2 20.5105 1979.8 2.9 scans 79% 73 m/z 2.4% 0.0341% 1371 0.8 99 10982 0.113% 165013 165013 545245 0-0 20: 73 292 319 147 205 333 320 293 305 217 435 321 433 306 74 117 103 334 206 307 0.993 20.60 -6.9 90 90 88 90 613 0.0 0.000 -0.086 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6900 2078.0 4.9 scans 100% 508 m/z 0.014% 14.9% 1483 0.5 1566 1880327 72204433 71599213 1-0 19: 508 435 509 71 379 436 232 346 347 422 256 409 341 254 91 152 324 166 479 0.998 21.75 -4.9 100 100 99 100 507 121.8 0.607 -0.059 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1042 myo-Inositol 21.6974 2078.6 4.3 scans 88% 305 m/z (508) 0.013% 13.2% 1484 0.3 1535 1979879 63709506 60924441 1-1 20: 305 217 73 147 318 191 306 265 319 204 218 307 133 129 320 432 219 148 192 367 0.981 21.77 -6.5 94 93 97 99 318 416.9 7.405 -0.077 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8605 2092.3 3.1 scans 96% 73 m/z 0.22% 0.454% 1499 1.2 328 117131 2194999 2109911 1-2 20: 73 319 205 147 320 103 217 321 262 74 204 117 206 148 229 89 157 129 263 207 0.998 21.93 -5.8 97 95 97 99 656 7.5 0.052 -0.069 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1867 2120.5 2.6 scans 88% 396 m/z 0.31% 0.265% 1530 1.1 280 84740 0.270% 1279135 1203783 1302798 1-5 20: 396 219 73 397 381 398 191 220 307 382 293 249 74 75 399 308 383 221 233 192 0.926 22.19 -0.0 99 99 97 99 396 118.6 17.902 0.001 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6760 2163.2 3.4 scans 85% 204 m/z 2.9% 0.0238% 1577 1.3 71 9013 0.0452% 115058 105426 218098 3-0 12: 204 73 205 249 147 217 131 117 361 206 103 74 0.994 22.71 -3.3 96 96 94 96 518 0.0 0.000 -0.038 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1290 2294.3 2.7 scans 73% 204 m/z 6.8% 0.00714% 1715 0.9 44 3883 0.0165% 34481 34481 79615 0-0 3: 204 217 205 0.978 24.01 10.8 84 84 81 87 490 0.0 0.000 0.119 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6541 2344.0 3.7 scans 94% 73 m/z 0.85% 0.166% 1765 0.6 173 31016 803160 803064 1-0 20: 73 331 217 191 421 262 205 103 319 305 333 74 143 308 218 423 206 306 89 148 0.993 24.65 0.4 98 97 96 97 466 10.2 0.345 0.004 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7509 2353.2 2.7 scans 82% 73 m/z 6.7% 0.0132% 1774 0.9 58 3922 0.124% 63698 53003 598322 1-6 9: 73 204 217 292 375 147 305 103 205 0.990 24.81 -5.2 80 81 78 81 451 7.2 1.526 -0.054 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5323 2528.8 3.1 scans 84% TIC 3.4% 0.0322% 1943 1.3 87 7692 0.0350% 155832 148741 168881 2-1 0.973 26.57 -4.3 96 96 86 96 512 31.5 13.014 -0.041 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1020 Sucrose 27.4024 2619.4 5.4 scans 10% 437 m/z (361) 0.047% 1.61% 2026 0.5 489 556341 7780711 7579640 1-1 20: 437 451 438 439 453 454 307 334 335 248 467 61 279 481 235 442 309 405 336 66 0.467 27.46 -6.2 95 97 95 100 437 303.8 38.711 -0.059 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1010 Sucrose 27.4024 2619.4 5.4 scans 97% 437 m/z 0.0083% 15.3% 2026 0.5 1523 3179450 74086348 72171786 1-1 20: 437 451 438 439 453 454 307 334 335 248 467 61 279 481 235 442 309 405 336 66 0.997 27.58 -18.8 100 99 98 99 437 301.0 3.936 -0.177 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN LQC1-N1016 Sucrose 27.4098 2620.1 5.0 scans 53% 361 m/z (363) 0.017% 8.41% 2027 0.3 1154 1518616 40620825 38872402 1-1 20: 361 73 217 362 147 271 103 129 169 218 243 319 191 74 219 272 331 148 189 133 0.886 27.48 -7.2 86 85 93 95 437 17.2 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\N419_REP6.FIN TAB_REP6-N1070 Sucrose 27.4098 2620.1 5.0 scans 80% 361 m/z (437) 0.011% 12.5% 2027 0.3 1408 2320814 60495712 57891824 1-1 20: 361 73 217 362 147 271 103 129 169 218 243 319 191 74 219 272 331 148 189 133 0.996 27.41 0.0 89 87 72 98 451 13.9 0.000 -0.000 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN EXBLK5S-N1006 Contamination 6.5132 1056.7 >25 scans 65% TIC 2.8% 1.13% 41 2.3 44 5907 306034 285531 0-3 0.950 6.63 -6.6 93 92 85 94 295 13.3 8.993 -0.112 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1194 Alanine 7.1845 1096.5 >29 scans 71% 116 m/z 2.5% 0.774% 104 2.8 40 6605 208365 190514 1-3 1: 116 0.971 7.40 -13.0 93 94 87 93 283 0.0 0.000 -0.220 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1188 Contamination 9.2752 1220.1 8.7 scans 77% 281 m/z 4.4% 0.165% 303 0.5 37 3722 0.416% 44644 44644 111920 0-0 1: 281 0.985 8.41 50.7 86 93 74 95 369 10.0 7.406 0.860 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1180 Benzoic acid 9.6424 1241.6 7.7 scans 80% TIC 8.6% 0.179% 338 2.6 28 1925 0.423% 48402 46017 113803 1-0 0.965 9.76 -6.9 81 77 75 92 194 2.3 0.000 -0.117 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1178 Ethanolamine 9.9328 1258.6 >5 scans 57% TIC 8.4% 0.0442% 366 1.2 21 1953 1.42% 11907 11907 382035 0-0 0.918 10.03 -5.9 82 88 70 87 262 0.0 0.000 -0.101 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN VEN77_S6-N1002 Glycerol 10.0012 1262.6 5.0 scans 87% TIC 0.58% 1.59% 372 2.8 94 28555 1.66% 428836 377710 446605 0-5 0.984 10.09 -5.4 100 99 96 99 299 57.5 37.362 -0.093 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LACTIC~1-N1034 Glycerol 10.0422 1265.0 5.8 scans 45% 205 m/z (299) 3.8% 0.428% 376 2.1 45 4257 115293 115293 0-1 3: 205 117 218 0.936 10.11 -4.0 93 97 91 96 293 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN TAB_REP6-N1012 Proline 10.4473 1288.7 4.8 scans 87% 142 m/z 0.48% 1.29% 414 1.8 90 34140 1.89% 348321 322207 508484 7-0 12: 142 73 143 216 144 147 72 74 100 244 170 148 0.999 10.53 -5.1 99 98 97 99 216 17.1 3.612 -0.086 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5241 1293.2 3.6 scans 65% 147 m/z 1.3% 0.383% 422 1.8 57 11905 1.98% 103273 100747 532697 0-3 8: 147 245 148 149 83 246 115 170 0.984 10.60 -4.6 95 94 88 94 245 14.9 6.816 -0.078 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1170 Glycine 10.5967 1297.5 4.8 scans 61% 174 m/z (147) 3.6% 0.230% 428 2.1 36 4486 0.248% 61905 59360 66722 1-0 3: 174 248 86 0.917 10.69 -5.3 89 94 80 93 276 6.5 3.147 -0.090 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.6662 1301.6 4.5 scans 92% TIC 0.41% 2.09% 435 2.1 112 40278 4.35% 564399 520303 1170320 0-4 0.978 10.76 -5.5 96 94 95 99 251 24.8 4.922 -0.092 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1168 Glyceric acid 10.9713 1319.9 3.8 scans 88% 292 m/z 3.4% 0.327% 464 1.8 50 4861 87998 79754 6-2 11: 292 189 73 147 133 103 102 205 190 307 117 0.992 11.05 -5.0 93 93 89 93 292 15.7 10.072 -0.083 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1162 Fumaric acid 11.3154 1340.7 3.5 scans 90% 245 m/z 1.4% 0.486% 497 1.6 63 11424 1.82% 130905 117517 489651 1-5 14: 245 246 147 73 247 83 143 75 133 53 148 115 149 74 0.997 11.39 -4.6 98 97 91 97 245 36.4 33.828 -0.078 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1160 Serine 11.4764 1350.4 3.5 scans 96% 204 m/z 0.24% 4.20% 512 1.4 187 66498 1132573 1073521 1-1 20: 204 73 218 205 100 147 219 278 206 188 133 74 75 220 59 306 116 216 114 72 1.000 11.56 -4.8 100 99 98 99 306 19.4 1.077 -0.081 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1154 Threonine 11.8899 1375.2 3.2 scans 93% 73 m/z 2.1% 0.489% 552 1.5 67 7866 131648 131335 0-1 19: 73 218 219 117 291 292 101 220 57 74 100 147 128 203 293 221 132 133 118 1.000 11.96 -4.3 96 95 91 96 320 5.7 0.720 -0.070 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1148 Glutamine?? 13.2788 1461.6 3.5 scans 93% 155 m/z 0.97% 0.713% 684 1.2 75 17023 0.733% 192016 171457 197206 4-7 15: 155 73 156 147 229 139 59 100 74 157 148 230 75 84 149 0.999 13.35 -4.3 97 97 94 97 257 6.5 0.737 -0.068 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1146 Malic acid 13.5145 1476.4 2.7 scans 97% 73 m/z 0.25% 2.73% 706 1.1 175 64480 735724 711494 1-1 20: 73 147 233 245 133 189 148 75 74 55 190 149 175 101 335 191 59 234 265 217 0.998 13.62 -6.4 99 98 97 98 350 4.2 0.058 -0.103 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1144 Contamination Parabanica acid 13.7323 1490.1 3.3 scans 82% 243 m/z 7.4% 0.153% 727 1.2 37 2236 41371 41371 0-0 6: 243 115 100 128 244 116 0.969 13.81 -4.7 92 93 83 93 243 16.1 18.643 -0.074 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0174 1508.5 3.1 scans 96% TIC 0.41% 1.59% 754 1.0 123 40281 428643 416335 1-2 0.998 14.03 -0.8 87 81 89 98 258 23.1 3.546 -0.013 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0185 1508.6 3.2 scans 97% 156 m/z 0.40% 1.58% 754 1.1 123 40950 425336 424956 0-1 20: 156 73 147 157 258 230 74 158 59 112 75 100 148 58 72 231 133 155 259 140 0.996 14.11 -6.1 87 81 87 98 273 4.8 0.153 -0.092 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1134 GABA 14.1763 1519.1 2.7 scans 87% 174 m/z 4.0% 0.154% 769 1.0 42 4051 0.205% 41546 40213 55153 0-4 5: 174 304 73 305 175 1.000 14.24 -4.3 94 94 86 94 304 13.4 10.188 -0.066 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN TAB_REP6-N1032 GABA 14.1774 1519.1 2.6 scans 88% TIC 4.0% 0.144% 769 1.2 42 4046 0.240% 38972 38515 64569 0-2 1.000 14.19 -0.7 94 94 85 94 304 13.4 10.065 -0.011 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6182 1548.4 2.4 scans 85% 292 m/z 3.9% 0.142% 811 1.1 43 4217 38353 38336 0-1 7: 292 73 147 220 205 117 293 0.965 14.62 -0.2 89 89 81 88 409 0.0 0.000 -0.003 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3874 1599.4 2.4 scans 76% 217 m/z 5.3% 0.0635% 884 1.1 29 3104 0.0980% 17089 17089 26366 0-0 2: 217 218 0.948 15.44 -3.6 86 85 77 87 393 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN TAB_REP6-N1042 Ribose 16.3249 1664.4 2.7 scans 87% TIC 3.5% 0.211% 973 0.7 47 4729 0.289% 57013 54904 77752 2-3 0.986 16.10 15.4 93 92 87 93 307 14.7 9.730 0.222 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5686 1753.4 2.7 scans 89% 217 m/z 2.4% 0.191% 1091 1.1 45 6645 0.651% 51495 49088 175144 0-1 5: 217 218 147 219 450 0.976 17.63 -4.6 86 86 78 86 450 8.5 3.475 -0.063 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7012 1763.1 2.8 scans 90% 73 m/z 1.5% 0.628% 1104 0.8 80 10375 169059 153149 2-2 20: 73 334 204 256 129 147 257 217 375 335 255 149 133 336 75 74 166 205 131 218 0.992 17.70 0.2 94 93 87 94 375 10.6 1.749 0.002 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN TAB_REP6-N1048 Citric acid 18.2504 1803.3 2.4 scans 72% 273 m/z 5.7% 0.127% 1156 1.2 41 2888 34245 34245 0-0 6: 273 363 347 375 274 465 0.992 18.24 0.5 92 92 85 92 465 7.3 3.174 0.006 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1076 Pregnane?? 18.7776 1843.5 2.5 scans 97% 345 m/z 0.061% 12.2% 1206 1.0 384 269132 3293440 3150509 1-1 20: 345 73 346 255 147 347 204 191 334 256 133 74 435 419 372 148 257 75 348 239 0.999 18.86 -6.2 100 99 99 99 537 29.4 0.588 -0.080 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1072 Fructose 18.9480 1856.5 2.6 scans 98% 73 m/z 0.083% 10.7% 1222 1.0 344 198762 2891471 2786548 1-1 20: 73 103 217 307 147 308 133 277 218 74 309 117 205 364 189 219 89 104 204 148 1.000 19.03 -6.5 98 97 98 98 364 37.1 1.161 -0.085 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN TAB_REP6-N1052 Fructose 19.0659 1865.5 2.6 scans 97% 73 m/z 0.14% 6.51% 1234 1.0 266 117249 6.88% 1753260 1724805 1850988 1-0 20: 73 217 307 103 147 308 218 277 74 205 309 117 364 133 89 262 148 204 189 104 1.000 19.10 -2.9 100 99 98 99 364 29.4 1.221 -0.038 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1064 Mannose 19.2710 1881.2 2.6 scans 97% 73 m/z 0.090% 10.6% 1253 1.0 349 183190 2860575 2718161 1-1 20: 73 319 205 147 160 320 217 103 321 206 117 74 133 204 148 129 189 229 157 161 1.000 19.45 -14.0 99 98 99 99 319 127.3 13.299 -0.184 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN TAB_REP6-N1059 Glucose 19.5141 1899.7 2.9 scans 95% TIC 0.45% 2.01% 1276 1.1 143 36046 542607 525093 1-1 0.999 19.55 -3.0 96 95 94 96 376 6.1 0.181 -0.038 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6627 2075.7 3.5 scans 97% 305 m/z 0.35% 4.81% 1480 1.4 198 47049 1296566 1239782 1-1 20: 305 73 217 147 318 191 306 319 204 265 307 218 432 320 129 133 433 148 291 74 0.999 21.75 -7.2 99 98 97 98 507 15.1 0.578 -0.086 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.9436 2099.3 3.6 scans 89% 319 m/z 6.4% 0.154% 1507 1.2 35 2567 41623 39454 1-2 7: 319 73 205 147 320 103 321 1.000 21.93 1.2 84 84 76 84 656 0.0 0.000 0.014 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2404 2125.2 4.2 scans 89% TIC 6.6% 0.194% 1535 2.2 35 2500 0.214% 52335 48370 57574 3-0 1.000 22.19 4.7 92 92 75 92 396 17.0 23.977 0.054 G:\GCMS data\Nicotiana Panel polar\N44_REP1.FIN LQC1-N1014 Sucrose 27.3856 2617.6 3.7 scans 95% 361 m/z 0.20% 7.20% 2024 2.0 217 82558 1938862 1627915 1-9 20: 361 73 362 217 147 437 363 103 271 129 169 218 438 319 243 451 191 74 204 148 1.000 27.49 -11.1 100 99 97 99 437 40.8 3.537 -0.104 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN EXBLK5S-N1006 Contamination 6.5940 1061.5 2.5 scans 73% 207 m/z 0.59% 0.110% 48 2.1 135 40597 0.294% 375796 293862 1004303 8-4 17: 207 73 295 208 209 191 296 297 192 279 247 189 193 210 298 177 263 0.973 6.63 -1.8 99 99 94 99 295 41.3 9.293 -0.031 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.7813 1072.6 >5 scans 30% 147 m/z 8.0% 0.0159% 66 0.7 42 3015 0.0503% 54329 45878 171825 0-5 2: 147 191 0.866 6.82 -2.3 82 81 77 92 295 2.8 0.000 -0.040 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1194 Alanine 7.3873 1108.5 6.9 scans 83% 116 m/z 0.74% 0.182% 124 0.5 111 32675 0.232% 622261 621609 792511 1-0 5: 116 73 190 118 87 0.995 7.40 -1.0 97 96 96 96 283 0.0 0.000 -0.017 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN A-KETO~2-N1006 Contamination?? 7.8871 1138.1 2.7 scans 77% TIC 2.3% 0.0262% 171 1.2 74 10386 0.0817% 89711 81979 279087 3-0 0.984 7.96 -4.1 98 98 95 98 156 40.3 29.454 -0.070 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1192 Contamination 7.9713 1143.1 2.6 scans 72% TIC 4.1% 0.0175% 179 1.3 68 5814 0.0391% 60076 60076 133565 0-0 0.982 7.99 -1.1 93 92 90 94 235 13.2 3.791 -0.018 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1188 Contamination 8.3743 1167.0 4.1 scans 69% 281 m/z 2.8% 0.0389% 217 1.6 67 8628 0.0420% 132993 113334 143472 8-2 11: 281 369 147 282 283 265 370 371 249 191 266 0.971 8.41 -2.4 99 99 96 99 369 21.4 10.307 -0.041 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1190 Contamination 8.4027 1168.7 3.6 scans 49% 73 m/z 3.3% 0.0277% 220 1.1 57 7204 0.0452% 94863 82283 154403 3-3 10: 73 211 140 198 77 186 126 69 70 74 0.962 8.48 -4.8 80 81 84 83 309 4.6 0.642 -0.081 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1184 Valine 9.1593 1213.4 3.1 scans 84% 144 m/z 1.0% 0.0575% 292 0.8 95 22949 0.0932% 196718 171707 318371 5-8 13: 144 73 218 145 147 219 146 100 220 59 74 128 148 0.995 9.19 -1.6 98 97 95 98 218 28.8 9.077 -0.029 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1180 Benzoic acid 9.7264 1246.5 2.9 scans 78% 179 m/z 2.6% 0.0304% 346 1.2 72 9209 104047 95863 2-4 8: 179 105 135 77 180 194 136 106 0.980 9.76 -2.0 95 93 90 98 194 10.8 2.284 -0.033 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1178 Ethanolamine 9.9915 1262.1 3.4 scans 84% 174 m/z 0.88% 0.0807% 371 1.2 106 27545 0.218% 275681 224084 744687 4-0 16: 174 73 175 86 176 147 130 133 59 262 131 172 74 101 114 148 0.978 10.03 -2.4 99 98 96 98 262 11.8 1.224 -0.042 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN VEN77_S6-N1002 Glycerol 10.0547 1265.8 2.9 scans 86% TIC 0.19% 0.270% 377 1.4 234 126870 0.465% 922616 922616 1588438 0-0 0.996 10.09 -2.2 99 98 95 99 299 140.7 36.113 -0.039 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LEUCINE-N1054 Leucine 2TMS STD 10.0662 1266.4 2.8 scans 18% 158 m/z (299) 1.3% 0.0526% 378 1.1 95 17779 0.0571% 179777 167024 195053 1-2 7: 158 159 232 160 102 128 130 0.787 10.11 -2.8 84 89 81 89 158 52.7 30.649 -0.048 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LACTIC~1-N1034 Glycerol 10.0883 1267.7 2.9 scans 80% 147 m/z (299) 0.79% 0.171% 380 0.7 156 30693 0.198% 584220 502115 676367 2-3 16: 147 205 117 103 218 148 206 204 149 129 175 101 177 118 293 104 0.961 10.11 -1.3 95 95 94 99 293 10.6 0.460 -0.022 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2230 1275.6 2.5 scans 87% 73 m/z 1.1% 0.0499% 393 1.2 101 22015 170726 159683 1-2 18: 73 198 77 211 70 199 239 74 381 143 289 212 72 200 142 92 63 170 0.979 10.24 -1.0 98 97 95 97 381 11.8 1.370 -0.017 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1176 Isoleucine 10.4208 1287.2 2.9 scans 83% TIC 1.5% 0.0356% 412 1.7 82 15316 0.395% 121741 120551 1349318 1-0 0.990 10.46 -2.2 98 97 96 98 260 6.1 0.556 -0.038 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1012 Proline 10.5061 1292.2 2.8 scans 94% TIC 0.16% 0.238% 420 0.8 219 145531 1.46% 814807 812952 4987354 1-0 0.997 10.53 -1.6 100 98 98 100 216 40.7 3.460 -0.027 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5797 1296.5 2.6 scans 88% 147 m/z 0.45% 0.100% 427 1.0 152 53751 0.943% 343446 343446 3221284 0-0 18: 147 73 245 148 75 149 83 133 74 246 84 170 59 155 54 53 66 85 0.985 10.60 -1.3 100 99 98 99 245 36.0 5.624 -0.022 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1170 Glycine 10.6439 1300.2 2.9 scans 80% 174 m/z 1.0% 0.0552% 433 1.1 107 22857 0.459% 188592 188592 1567942 0-0 17: 174 73 248 175 86 176 100 276 249 133 59 250 148 130 131 277 134 0.987 10.69 -2.6 98 98 96 98 276 16.4 2.341 -0.043 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7228 1305.0 3.1 scans 91% TIC 0.079% 0.916% 441 1.5 363 303698 0.969% 3129506 2899469 3310100 2-2 0.966 10.76 -2.1 100 98 98 99 251 83.1 5.251 -0.035 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN EXBLK5S-N1004 d4-Succinic acid 10.7397 1306.0 2.7 scans 21% 200 m/z (247) 2.0% 0.100% 442 1.3 130 11698 0.159% 343982 320827 543143 2-1 18: 200 208 110 297 69 249 70 228 201 298 174 209 241 107 229 108 68 155 0.768 10.76 -1.3 82 87 57 90 251 6.8 0.000 -0.022 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1168 Glyceric acid 11.0048 1322.0 2.6 scans 91% 73 m/z 0.78% 0.115% 467 1.2 151 30793 0.124% 395526 378147 423583 1-0 20: 73 147 292 189 133 103 205 293 190 148 102 117 307 294 75 191 74 131 101 149 0.997 11.05 -2.9 100 99 98 99 292 45.5 9.102 -0.049 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0648 1325.6 2.5 scans 81% 184 m/z 2.8% 0.0356% 473 1.0 86 8461 0.0469% 121815 119918 160210 0-2 17: 184 134 285 174 286 77 86 227 59 100 172 135 110 130 287 69 186 0.987 11.06 0.1 98 97 95 99 285 26.4 9.422 0.002 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1018 Uracil 11.1258 1329.2 2.6 scans 62% 241 m/z 8.6% 0.00822% 479 1.2 41 2820 0.0114% 28094 27329 38942 0-1 6: 241 255 256 99 147 242 0.940 11.15 -1.4 95 95 95 99 256 14.5 12.583 -0.022 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1162 Fumaric acid 11.3478 1342.6 2.4 scans 93% 245 m/z 0.45% 0.126% 500 1.1 166 53365 432820 409799 2-1 20: 245 147 73 246 75 247 240 143 83 133 148 115 149 84 74 155 53 157 255 241 0.998 11.39 -2.7 97 96 96 96 245 91.3 30.234 -0.045 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4488 1348.7 >3 scans 88% TIC 1.3% 0.0501% 510 1.0 99 17748 0.769% 171416 171416 2626901 0-0 0.994 11.45 0.2 92 88 96 99 145 28.2 8.148 0.003 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1160 Serine 11.5035 1352.0 2.4 scans 97% 204 m/z 0.10% 0.776% 515 1.0 402 226843 2653833 2564258 1-1 20: 204 73 218 205 147 100 188 219 278 206 133 75 74 306 220 189 116 59 216 148 1.000 11.56 -3.2 100 99 99 99 306 41.4 1.061 -0.053 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN BRA4_R~2-N1008 Thymine 11.5877 1357.1 2.9 scans 61% 255 m/z 6.8% 0.00621% 523 1.1 33 3569 21238 20435 1-1 4: 255 256 270 156 0.989 11.58 0.3 99 99 99 99 270 10.5 9.767 0.004 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1024 Threonine 11.9097 1376.4 2.6 scans 95% TIC 0.61% 0.171% 553 0.9 177 39280 587344 570270 5-0 0.996 11.92 -0.7 100 99 98 100 320 16.7 0.890 -0.011 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1148 Glutamine?? 13.2828 1461.8 2.7 scans 92% 155 m/z 0.49% 0.116% 684 1.1 150 49421 0.133% 397163 381541 454327 2-2 20: 155 73 147 156 229 139 75 100 157 59 74 148 84 257 230 131 72 103 149 56 0.992 13.35 -4.1 98 97 97 99 257 11.6 0.595 -0.064 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1026 Malic acid 13.5248 1477.1 2.4 scans 98% 73 m/z 0.095% 0.786% 707 0.9 410 253657 2687353 2649626 1-0 20: 73 147 233 245 133 75 189 148 190 55 74 175 335 191 149 101 217 234 59 265 1.000 13.53 -0.5 100 99 99 99 335 51.5 1.576 -0.008 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1142 Erythritol/Threitol 13.7089 1488.7 2.5 scans 56% 217 m/z 9.8% 0.00961% 724 1.0 43 2461 32841 32841 0-0 3: 217 205 307 0.946 13.89 -11.4 86 87 75 87 320 0.0 0.000 -0.181 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1144 Contamination Parabanica acid 13.7374 1490.5 2.5 scans 61% 243 m/z 6.7% 0.0131% 727 1.1 52 3574 45038 45038 0-1 5: 243 115 100 128 244 0.973 13.81 -4.3 91 92 77 92 243 23.6 20.829 -0.069 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1028 Aspartic acid 14.0141 1508.3 2.6 scans 31% 232 m/z (73) 0.80% 0.0619% 753 1.1 109 30248 211599 211599 0-0 19: 232 233 100 218 234 188 202 306 216 117 219 334 174 130 115 101 292 203 134 0.897 14.02 -0.2 93 95 88 98 258 5.1 0.000 -0.003 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1140 Aspartic acid 14.0193 1508.6 3.0 scans 60% 73 m/z (156) 0.41% 0.185% 754 1.0 177 58893 634431 613720 1-1 20: 73 147 75 74 133 59 148 259 72 149 155 131 58 55 70 86 142 221 132 57 0.969 14.09 -4.5 93 94 94 96 349 7.8 0.195 -0.068 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0193 1508.6 3.0 scans 74% 73 m/z (232) 0.32% 0.227% 754 1.0 195 74953 775630 750310 1-1 20: 73 147 75 74 133 59 148 259 72 149 155 131 58 55 70 86 142 221 132 57 0.990 14.03 -0.7 95 96 96 98 258 35.3 3.255 -0.011 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0236 1508.9 2.9 scans 60% 156 m/z (232) 0.32% 0.177% 754 1.0 176 74953 607082 596166 1-1 20: 156 157 230 258 158 259 231 58 55 140 86 121 260 66 112 154 84 71 67 114 0.979 14.11 -5.8 95 96 96 99 273 8.5 0.230 -0.086 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1134 GABA 14.1814 1519.4 2.6 scans 94% 174 m/z 0.43% 0.191% 769 1.3 190 55302 0.206% 655667 632209 703695 0-8 20: 174 304 73 147 175 305 176 86 306 59 143 75 246 133 172 100 130 148 74 131 0.997 14.24 -4.0 98 97 97 98 304 57.5 9.197 -0.061 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3255 1528.9 2.7 scans 32% 239 m/z 9.9% 0.00602% 783 1.0 34 2443 20581 20581 0-1 6: 239 342 174 263 240 343 0.751 14.37 -3.3 82 83 44 90 342 15.4 20.143 -0.048 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6075 1547.6 2.6 scans 90% TIC 1.0% 0.0851% 810 1.2 128 22470 290768 275265 1-1 0.987 14.62 -1.0 97 96 93 96 409 9.7 0.568 -0.013 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1036 Glutamic acic 15.5019 1607.3 2.6 scans 53% 246 m/z 5.7% 0.00703% 895 1.0 38 4225 24023 24023 0-0 4: 246 247 128 156 0.870 15.50 -0.1 95 96 76 96 363 4.0 1.100 -0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1118 Phenylalanine 15.6008 1614.2 2.8 scans 82% 218 m/z (267) 1.7% 0.0605% 904 1.3 104 14250 206768 204198 0-1 9: 218 192 219 100 266 220 65 130 132 0.987 15.66 -4.0 94 95 94 98 294 7.5 0.518 -0.058 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1038 Xylose 15.8901 1634.2 3.1 scans 68% 103 m/z 3.7% 0.0246% 932 1.5 66 6551 0.0315% 84152 78232 107604 1-0 9: 103 73 307 217 308 189 160 277 89 0.974 15.89 0.0 90 90 89 93 307 20.4 9.675 0.000 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1040 Xylose 16.0038 1642.1 2.7 scans 93% 73 m/z 0.64% 0.154% 943 1.2 171 37896 526983 525398 1-0 20: 73 103 307 217 147 308 189 218 160 277 205 117 309 204 74 133 75 104 89 105 0.990 16.00 0.0 98 97 97 99 307 47.6 7.774 -0.000 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1042 Ribose 16.1027 1649.0 2.6 scans 88% 73 m/z 1.2% 0.0682% 952 0.8 117 18739 0.205% 233042 229283 700279 2-0 20: 73 103 307 217 147 308 189 277 160 309 205 218 104 133 74 117 89 219 105 233 0.997 16.10 0.0 96 94 95 99 307 34.1 8.497 -0.000 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.2269 1657.6 2.6 scans 61% 290 m/z 3.4% 0.0127% 964 1.6 45 6960 0.0140% 43554 38173 47824 2-3 5: 290 291 158 392 292 0.985 16.28 -3.5 91 90 76 94 392 8.7 3.731 -0.049 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1108 Ribose 16.3173 1663.9 2.7 scans 94% 73 m/z 0.43% 0.236% 972 1.0 208 55246 809533 802103 2-0 20: 73 103 307 217 147 308 189 160 277 218 74 309 133 219 104 233 75 148 117 89 0.999 16.38 -4.0 96 93 95 98 467 5.1 0.060 -0.058 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6120 1684.4 2.6 scans 89% TIC 1.1% 0.0964% 1000 1.5 134 20500 0.158% 329589 300304 539727 1-0 0.997 16.68 -4.4 99 98 97 99 497 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9266 1706.5 >2 scans 66% TIC 7.8% 0.00959% 1030 1.0 55 3085 0.328% 32766 32766 1120447 0-0 0.953 16.99 -4.6 86 87 79 86 422 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9971 1711.7 3.0 scans 80% 73 m/z 1.8% 0.0627% 1037 1.5 106 13098 0.293% 214446 214446 1000887 0-0 20: 73 217 319 147 205 103 307 129 204 218 189 320 308 191 306 148 206 131 74 332 0.985 17.06 -4.8 93 92 89 93 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1044 Putrescine 17.1886 1725.7 2.7 scans 72% 174 m/z (73) 1.5% 0.0295% 1055 1.1 76 16113 100929 100209 0-1 10: 174 175 214 200 176 172 86 361 100 215 0.987 17.19 0.1 93 94 90 95 376 5.7 0.571 0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1096 Putrescine 17.1886 1725.7 2.7 scans 63% 174 m/z 1.5% 0.0258% 1055 1.1 71 15884 88319 87689 0-1 10: 174 175 214 200 176 172 86 361 100 215 0.996 17.25 -4.3 97 96 96 97 458 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3769 1739.4 2.7 scans 57% 292 m/z 4.6% 0.0214% 1073 1.0 64 5267 0.222% 73321 71368 758351 0-1 7: 292 333 217 103 307 293 334 0.927 17.44 -4.9 91 92 84 92 511 5.2 0.644 -0.066 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5663 1753.2 2.7 scans 91% TIC 0.36% 0.180% 1091 1.4 187 67117 0.709% 615091 579587 2421941 0-1 0.996 17.63 -4.8 96 95 94 96 450 29.7 2.527 -0.066 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6989 1762.9 3.6 scans 87% TIC 0.29% 0.501% 1104 0.6 265 81038 0.662% 1713516 1624236 2261389 1-0 0.951 17.70 0.0 98 97 97 99 375 28.5 1.153 -0.000 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1046 Shikimic acid 18.1271 1794.2 2.8 scans 87% TIC 0.55% 0.120% 1144 1.6 154 44060 0.523% 413229 404898 1786566 3-1 0.985 18.13 0.2 95 94 93 96 372 19.0 1.531 0.002 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1082 Citric acid 18.2481 1803.1 2.8 scans 85% 273 m/z 0.47% 0.269% 1156 1.2 217 51636 0.353% 920688 845223 1205846 3-6 19: 273 73 147 363 375 347 274 465 275 149 211 348 74 148 376 221 305 364 466 0.990 18.32 -5.6 99 98 96 98 465 34.0 2.447 -0.073 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1076 Pregnane?? 18.8037 1845.5 3.0 scans 97% 345 m/z 0.011% 8.45% 1209 0.4 1185 2079252 28886875 27786465 1-1 20: 345 73 346 255 147 347 334 256 191 204 435 419 372 133 257 239 74 148 348 75 1.000 18.86 -4.2 100 100 99 100 537 92.5 0.613 -0.054 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1074 Adenine 18.8805 1851.4 3.1 scans 53% 264 m/z 1.9% 0.0248% 1216 1.5 63 12141 0.133% 84824 78612 454327 1-0 7: 264 265 279 266 192 84 280 0.981 18.94 -4.5 94 93 88 95 415 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1072 Fructose 18.9836 1859.2 3.4 scans 99% 73 m/z 0.014% 10.5% 1226 0.5 1265 1630858 36106593 36105773 1-0 20: 73 217 307 103 147 308 218 277 133 309 364 205 189 117 74 104 219 89 148 191 1.000 19.03 -3.8 100 99 99 100 364 147.1 1.356 -0.049 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1052 Fructose 19.1015 1868.2 3.0 scans 97% 73 m/z 0.021% 6.68% 1237 0.6 1071 1150846 22841219 22316642 1-3 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 117 262 89 189 219 104 148 1.000 19.10 -0.2 100 99 100 100 364 125.2 1.372 -0.003 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1056 Glucose 19.1520 1872.1 >3 scans 69% TIC 1.2% 0.0772% 1242 0.9 129 19242 19.6% 263921 263921 66953514 0-0 0.995 19.33 -13.7 91 90 87 91 364 8.5 0.432 -0.180 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1066 Glucose 19.1530 1872.2 2.7 scans 41% 319 m/z 1.4% 0.0397% 1242 1.0 101 16944 5.70% 135910 135910 19471175 0-0 11: 319 205 160 320 321 206 291 322 157 229 161 0.837 19.40 -18.7 88 88 76 89 319 51.4 26.071 -0.246 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1054 Galactose 19.2098 1876.5 3.0 scans 71% 73 m/z 1.2% 0.0616% 1247 1.1 123 19088 17.0% 210670 210670 58071926 0-0 20: 73 319 205 320 147 160 217 321 103 206 117 133 157 161 148 74 207 229 218 105 0.994 19.22 -0.5 95 93 92 97 376 0.0 0.000 -0.006 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1064 Mannose 19.3119 1884.3 3.4 scans 98% 319 m/z 0.015% 9.90% 1257 0.5 1241 1583689 33825088 33557523 1-0 20: 319 73 205 147 320 160 217 321 103 206 117 229 157 129 74 133 148 189 161 204 0.998 19.45 -10.9 100 99 99 100 319 497.2 16.105 -0.143 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1059 Glucose 19.5402 1901.8 2.7 scans 98% TIC 0.062% 1.95% 1279 0.7 586 386634 6665224 6651402 1-0 0.999 19.55 -0.9 100 99 99 100 376 24.3 0.172 -0.012 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1061 Lysine 19.6086 1907.3 3.1 scans 61% TIC 7.6% 0.0114% 1285 1.6 49 3171 39140 39140 0-0 0.946 19.61 -0.3 86 87 80 90 434 6.1 1.581 -0.004 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1060 Lysine 19.6086 1907.3 2.6 scans 39% 317 m/z 11% 0.00768% 1285 1.1 39 2167 0.0564% 26234 26234 192662 0-0 6: 317 174 156 230 128 318 0.826 19.69 -6.8 83 85 78 86 479 0.0 0.000 -0.084 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7107 1915.5 2.8 scans 84% 73 m/z 1.8% 0.0558% 1295 1.2 105 13256 0.128% 190730 172061 437247 1-0 15: 73 319 205 147 117 103 206 321 307 148 74 204 189 291 129 0.993 19.79 -6.4 95 94 91 96 434 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN N406_R~2-N1016 Galacturonic acid 19.7654 1919.9 2.6 scans 58% 333 m/z 3.1% 0.0225% 1300 1.1 67 7675 0.0235% 77141 74418 80276 0-3 6: 333 334 160 364 335 305 0.931 19.79 -2.2 90 87 59 95 423 7.8 1.368 -0.028 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7665 1920.0 3.2 scans 64% TIC 3.3% 0.0225% 1300 2.4 70 7156 0.116% 77106 77106 396255 0-0 0.946 19.79 -2.2 89 89 78 89 333 33.4 22.615 -0.028 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1056 Ascorbic acid 19.9001 1930.7 2.3 scans 51% 332 m/z 9.1% 0.00879% 1313 0.9 43 2656 30041 30041 0-0 1: 332 0.922 19.99 -7.0 84 86 74 85 449 5.9 1.847 -0.086 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2936 1962.3 3.1 scans 79% TIC 1.1% 0.0989% 1350 1.1 129 21851 337870 315956 1-1 0.874 20.30 -0.2 93 96 91 94 433 14.0 1.179 -0.002 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6699 2076.3 2.9 scans 98% 305 m/z 0.020% 8.04% 1481 0.6 1182 1163812 27481564 27027286 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 367 133 129 291 148 0.999 21.75 -6.6 100 100 100 100 507 97.4 0.681 -0.079 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8635 2092.6 3.5 scans 96% 319 m/z 0.27% 0.573% 1499 1.1 284 86776 1960558 1922030 1-1 20: 319 73 205 147 320 217 103 321 206 117 229 74 204 148 157 89 129 263 291 376 0.997 21.93 -5.5 97 95 97 99 656 7.5 0.070 -0.067 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1865 2120.5 2.7 scans 90% TIC 0.33% 0.285% 1530 1.1 237 71574 0.332% 976096 975506 1134111 0-1 0.965 22.19 -0.0 99 99 95 98 396 105.7 19.884 0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6695 2162.7 3.1 scans 91% 204 m/z 1.2% 0.0650% 1576 1.2 105 19929 0.0836% 222067 208693 285577 1-0 19: 204 73 205 147 217 249 206 117 219 191 131 129 74 218 133 189 103 305 362 0.997 22.71 -3.8 98 97 97 98 518 0.0 0.000 -0.045 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN BRA4_R~4-N1012 Spermidine 22.9009 2182.9 3.2 scans 62% 200 m/z 30% 0.00378% 1598 1.1 25 795 0.00394% 12933 12933 13459 0-0 2: 200 201 0.929 22.90 0.1 81 85 72 91 418 3.8 2.365 0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN BRA4_R~2-N1006 Spermidine 23.5133 2238.1 2.7 scans 80% 144 m/z 9.5% 0.0144% 1656 1.0 53 2542 49355 49355 0-0 10: 144 174 156 116 160 86 172 142 201 170 0.986 23.51 0.4 91 92 91 92 490 5.5 1.060 0.004 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1246 2293.9 2.8 scans 76% 204 m/z 5.8% 0.0132% 1714 1.6 45 4181 0.0233% 45112 42471 79593 2-1 5: 204 73 205 337 217 0.958 24.01 10.4 86 86 80 88 490 0.0 0.000 0.115 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6539 2344.0 3.4 scans 95% 73 m/z 0.73% 0.252% 1765 0.6 177 32997 0.271% 863891 854227 925735 1-4 20: 73 331 147 217 191 421 262 307 205 319 103 332 204 305 192 422 333 376 320 74 0.994 24.65 0.4 99 98 97 98 466 10.3 0.338 0.004 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7507 2353.2 2.5 scans 81% TIC 6.6% 0.0143% 1774 1.2 57 3646 0.240% 49169 47276 819839 1-1 0.997 24.81 -5.2 82 82 80 82 451 7.3 1.600 -0.054 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5342 2529.0 3.1 scans 87% TIC 2.7% 0.0633% 1943 1.3 100 8850 0.107% 216394 200462 365512 1-2 0.966 26.57 -4.1 96 96 88 96 512 36.9 13.708 -0.039 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN WTF2-N1032 Sucrose 26.6520 2541.2 2.8 scans 77% 361 m/z 11% 0.0117% 1955 1.0 46 2043 0.0541% 40269 39510 184805 2-0 7: 361 217 437 73 273 438 362 0.970 26.87 -22.5 83 85 78 85 451 5.9 1.604 -0.218 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1020 Sucrose 27.4086 2620.0 8.4 scans 10% 437 m/z (361) 0.044% 3.27% 2026 1.2 463 547728 11185407 11160075 1-0 15: 437 438 439 364 436 453 454 135 246 464 322 455 377 421 174 0.704 27.46 -5.6 94 97 92 99 437 292.4 40.008 -0.052 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1010 Sucrose 27.4086 2620.0 8.4 scans 100% 437 m/z 0.0076% 31.9% 2026 1.2 1474 3180239 109177731 108930476 1-0 15: 437 438 439 364 436 453 454 135 246 464 322 455 377 421 174 0.997 27.58 -18.2 100 99 98 99 437 292.0 3.951 -0.170 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1014 Sucrose 27.4212 2621.4 8.4 scans 89% TIC 0.0077% 26.9% 2028 0.7 1405 3135551 31.0% 92066661 89564931 105895864 1-0 1.000 27.49 -7.3 100 100 99 100 437 287.1 4.211 -0.069 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1008 Sucrose 27.4454 2623.9 8.0 scans 100% 73 m/z 0.0078% 31.0% 2030 0.2 1503 3094971 105984421 104419405 1-0 20: 73 103 74 75 131 130 104 101 69 81 246 59 55 105 135 346 222 304 132 54 0.999 27.59 -15.6 100 99 97 99 437 280.8 3.514 -0.146 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1018 Sucrose 27.4517 2624.6 8.3 scans 51% 361 m/z (73) 0.0079% 4.30% 2031 2.1 1056 3048817 17.3% 14717876 14717876 59096724 0-0 20: 361 362 217 147 271 169 243 218 129 319 191 219 331 189 204 205 272 230 133 320 0.964 27.47 -1.9 86 88 59 88 437 269.0 6.563 -0.018 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1016 Sucrose 27.4517 2624.6 8.3 scans 55% 361 m/z (345) 0.015% 4.72% 2031 2.1 1105 1559594 18.9% 16124097 16124097 64562317 0-0 20: 361 362 217 147 271 169 243 218 129 319 191 219 331 189 204 205 272 230 133 320 0.915 27.48 -2.7 84 83 91 94 437 16.2 0.000 -0.025 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN LQC1-N1006 Trehalose 28.3818 2725.2 4.5 scans 63% 361 m/z 6.2% 0.0122% 2119 1.1 42 3878 0.0446% 41746 41343 152353 0-1 5: 361 362 191 217 363 0.977 28.47 -9.7 89 89 75 89 565 0.0 0.000 -0.086 G:\GCMS data\Nicotiana Panel polar\N44_REP2.FIN GUA35_L1-N1020 Galactinol 30.6346 2983.0 2.9 scans 95% 204 m/z 0.84% 0.0867% 2333 1.1 124 28729 296362 286775 1-4 20: 204 73 205 217 191 147 361 206 129 103 305 433 218 230 148 318 293 362 133 306 1.000 30.55 10.6 82 80 91 83 641 0.0 0.000 0.090 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN EXBLK5S-N1006 Contamination 6.3417 1046.5 13.7 scans 55% TIC 1.7% 0.0661% 24 2.8 85 14239 279385 268793 1-0 0.881 6.63 -16.8 96 96 89 97 295 25.3 8.956 -0.283 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1194 Alanine 7.4254 1110.8 11.2 scans 77% TIC 0.76% 0.165% 127 0.6 117 33610 0.333% 697853 697853 1405536 0-0 0.994 7.40 1.3 96 95 95 96 283 0.0 0.000 0.021 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN A-KETO~2-N1006 Contamination?? 7.9252 1140.4 2.6 scans 78% TIC 1.9% 0.0226% 175 1.0 83 12927 0.0654% 95423 95423 276042 0-0 0.982 7.96 -1.8 99 99 96 98 156 45.6 30.310 -0.032 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1192 Contamination 8.0073 1145.2 2.7 scans 74% 147 m/z 3.2% 0.0226% 183 1.2 79 7909 0.0462% 95790 95488 195002 2-0 16: 147 73 133 220 235 59 86 146 72 148 103 160 100 89 74 131 0.967 7.99 1.0 96 95 92 97 235 15.5 3.867 0.018 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1188 Contamination 8.3745 1167.0 5.2 scans 86% TIC 1.8% 0.0569% 217 1.7 94 13775 0.112% 240268 238814 472733 2-0 0.994 8.41 -2.4 99 98 86 99 369 28.0 8.914 -0.041 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1190 Contamination 8.4397 1170.9 3.5 scans 63% 73 m/z 3.9% 0.0236% 224 1.1 65 6515 0.0408% 99758 89934 172210 0-4 11: 73 211 140 198 77 69 186 70 126 215 92 0.959 8.48 -2.6 89 89 84 91 309 6.1 0.891 -0.044 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1186 Phosphate 8.5576 1177.9 2.3 scans 53% 241 m/z 2.9% 0.0112% 235 1.1 56 8763 47321 46914 0-1 9: 241 242 133 211 163 256 243 135 195 0.802 8.56 -0.1 90 90 74 95 299 0.0 0.000 -0.003 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1184 Valine 9.1784 1214.5 3.9 scans 85% 144 m/z (156) 1.0% 0.0691% 294 0.5 102 25012 0.0892% 291749 264016 376498 4-7 14: 144 73 218 145 147 100 219 59 128 74 246 132 220 148 0.994 9.19 -0.5 97 98 96 98 218 31.4 9.408 -0.010 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1180 Benzoic acid 9.7455 1247.7 3.1 scans 73% 179 m/z 4.2% 0.0188% 348 0.9 60 6087 79676 78238 0-3 7: 179 105 135 77 180 136 194 0.902 9.76 -0.8 92 90 86 97 194 8.4 1.957 -0.013 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1178 Ethanolamine 9.9959 1262.3 4.5 scans 90% 174 m/z 0.60% 0.132% 372 1.0 135 42250 0.329% 560591 534445 1388653 1-0 11: 174 73 175 100 147 86 133 262 114 131 74 0.996 10.03 -2.2 99 98 98 99 262 14.7 1.182 -0.038 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN VEN77_S6-N1002 Glycerol 10.0727 1266.8 2.8 scans 83% TIC 0.099% 0.593% 379 1.5 349 257360 0.694% 2505683 2271496 2929256 1-2 0.951 10.09 -1.2 100 99 95 99 299 203.6 34.138 -0.021 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LACTIC~1-N1034 Glycerol 10.1001 1268.4 4.2 scans 72% 147 m/z (299) 0.60% 0.246% 381 0.6 190 42667 0.288% 1040581 925877 1215599 1-3 18: 147 205 117 103 218 206 204 175 129 149 101 219 203 217 118 220 293 150 0.994 10.11 -0.6 94 94 95 100 293 12.3 0.419 -0.010 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2369 1276.4 2.7 scans 85% 73 m/z 1.4% 0.0326% 394 1.1 89 17110 137826 137702 1-0 12: 73 198 211 77 199 70 239 74 381 289 212 143 0.981 10.24 -0.2 96 96 93 96 381 10.3 1.342 -0.003 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1176 Isoleucine 10.4347 1288.0 >4 scans 82% TIC 1.3% 0.0409% 413 1.4 90 18308 0.563% 172937 172937 2376327 0-0 0.981 10.46 -1.4 98 98 95 98 260 6.0 0.454 -0.024 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1012 Proline 10.5220 1293.1 3.1 scans 95% TIC 0.078% 0.553% 422 0.6 332 324471 2.32% 2337901 2329070 9792324 1-0 0.995 10.53 -0.7 100 98 99 100 216 60.6 3.339 -0.011 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1172 Maleic acid 10.5915 1297.2 2.7 scans 85% 147 m/z 0.42% 0.0961% 428 1.2 165 59870 1.43% 405829 405829 6035786 0-0 20: 147 73 148 245 75 83 149 115 74 246 143 133 84 170 126 59 54 247 98 53 0.979 10.62 -1.9 99 98 98 99 245 37.9 5.275 -0.033 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1170 Glycine 10.6557 1300.9 3.2 scans 81% 174 m/z 0.32% 0.171% 434 0.8 195 79917 0.709% 724225 724225 2992568 0-0 18: 174 73 248 175 86 133 176 276 100 249 59 250 131 74 130 158 117 246 0.944 10.69 -1.9 99 99 91 98 276 30.2 2.399 -0.031 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7377 1305.9 2.8 scans 94% TIC 0.040% 1.32% 442 1.2 529 633740 2.24% 5599824 5323949 9454658 0-1 0.969 10.76 -1.2 100 98 98 100 251 124.3 5.526 -0.020 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1168 Glyceric acid 11.0134 1322.5 2.5 scans 92% 73 m/z 0.71% 0.107% 468 1.3 167 36073 0.110% 455799 433384 464291 1-4 20: 73 147 292 189 133 205 103 293 102 190 117 74 148 294 307 75 149 101 59 206 0.991 11.05 -2.4 99 98 98 99 292 49.9 8.937 -0.041 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0755 1326.2 2.4 scans 52% 184 m/z 11% 0.00581% 474 0.9 40 2204 24532 24532 0-0 5: 184 285 134 174 86 0.879 11.06 0.7 90 93 70 92 285 14.0 12.574 0.012 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1018 Uracil 11.1365 1329.9 2.3 scans 65% 241 m/z 6.2% 0.00886% 480 1.0 50 4088 37436 37436 0-0 5: 241 255 256 242 113 0.886 11.15 -0.7 96 96 93 99 256 15.7 10.044 -0.011 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1162 Fumaric acid 11.3564 1343.1 2.5 scans 92% 245 m/z 0.42% 0.118% 501 1.0 176 60591 501598 460262 3-1 20: 245 147 73 246 75 143 247 83 115 133 155 149 148 240 84 53 74 157 61 59 0.995 11.39 -2.2 99 99 98 99 245 98.8 31.480 -0.037 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4553 1349.1 >3 scans 89% TIC 1.4% 0.0449% 510 1.1 101 17308 0.795% 189712 189163 3355559 1-0 0.994 11.45 0.6 86 80 93 99 145 27.8 7.628 0.009 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1160 Serine 11.5090 1352.3 2.6 scans 97% 204 m/z 0.10% 0.685% 515 1.0 410 235660 2892317 2819466 1-1 20: 204 73 218 205 147 100 219 278 206 75 133 74 220 306 116 59 189 216 132 148 0.999 11.56 -2.9 100 99 99 100 306 42.5 1.076 -0.048 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN BRA4_R~2-N1008 Thymine 11.5932 1357.4 3.1 scans 39% 255 m/z 14% 0.00294% 524 1.0 25 1809 12441 12441 0-0 4: 255 156 270 256 0.731 11.58 0.6 92 97 82 98 270 8.9 12.670 0.009 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1024 Threonine 11.9162 1376.8 2.5 scans 95% 73 m/z 0.42% 0.195% 554 1.1 228 59943 825969 775395 3-1 20: 73 218 219 117 291 292 147 101 220 100 57 74 75 203 293 128 133 221 132 59 0.999 11.92 -0.3 100 99 99 100 320 21.3 0.872 -0.005 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1150 Citrulline 13.0252 1445.6 2.7 scans 63% 128 m/z (350) 5.8% 0.0202% 659 1.2 69 4385 85469 85434 1-0 10: 128 243 115 141 100 169 70 129 142 244 0.981 13.08 -3.2 89 91 86 91 258 8.3 1.458 -0.051 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1148 Glutamine?? 13.2935 1462.5 2.6 scans 96% 155 m/z 0.14% 0.329% 685 0.9 291 178277 1391063 1346417 1-1 20: 155 73 147 156 229 139 75 59 157 74 100 148 230 133 72 84 257 131 149 103 0.999 13.35 -3.4 99 97 99 99 257 23.5 0.655 -0.053 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1146 Malic acid 13.5334 1477.6 2.4 scans 98% 73 m/z 0.055% 1.23% 708 0.8 567 464678 5213094 5169093 1-0 20: 73 147 233 245 133 75 148 189 190 175 335 191 74 101 149 55 234 217 265 59 1.000 13.62 -5.2 100 99 98 99 350 13.8 0.060 -0.084 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1144 Contamination Parabanica acid 13.7428 1490.8 2.6 scans 77% 115 m/z 3.4% 0.0284% 728 1.0 83 7397 120263 120263 0-0 11: 115 243 100 128 244 116 201 101 158 72 131 0.984 13.81 -4.0 95 95 91 95 243 34.0 16.609 -0.063 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1140 Aspartic acid 14.0174 1508.5 2.5 scans 24% 232 m/z 0.40% 0.104% 754 1.2 163 63777 439881 419623 1-1 20: 232 218 233 100 202 234 188 306 117 216 219 130 101 334 203 292 235 220 204 349 0.479 14.09 -4.6 93 98 54 96 349 11.4 0.484 -0.070 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0290 1509.3 3.5 scans 85% TIC 0.11% 0.560% 755 0.9 329 218846 2366969 2303350 1-1 0.877 14.03 -0.0 99 98 98 100 258 62.9 3.656 -0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0322 1509.5 3.0 scans 88% 156 m/z 0.10% 0.513% 755 0.8 335 238411 2169299 2168163 0-1 20: 156 147 157 230 258 158 259 148 59 72 231 140 121 58 112 55 155 131 86 85 0.968 14.11 -5.2 99 97 96 99 273 12.7 0.144 -0.078 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN BRA4_R~2-N1002 4-Hydroxy Proline 14.1132 1514.9 2.5 scans 26% 230 m/z 15% 0.00158% 763 0.9 20 1639 6694 6694 0-0 1: 230 1.000 14.11 0.1 86 92 74 97 230 16.3 65.126 0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1134 GABA 14.1847 1519.6 2.7 scans 94% TIC 0.41% 0.166% 770 1.1 201 61656 0.216% 704145 697875 911699 2-3 0.997 14.24 -3.8 99 97 97 99 304 60.4 9.030 -0.057 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3268 1529.0 2.5 scans 28% 239 m/z 10% 0.00543% 783 1.1 37 2454 22936 22936 0-1 3: 239 342 240 0.716 14.37 -3.2 82 83 59 89 342 15.0 16.181 -0.047 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6077 1547.7 2.6 scans 91% 73 m/z 0.85% 0.0886% 810 1.3 150 29849 374069 360510 1-1 20: 73 292 147 220 205 293 117 217 103 294 148 221 74 133 149 206 102 291 319 245 0.997 14.62 -0.9 95 94 93 95 409 11.2 0.555 -0.013 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1126 Pyrazine 15.0707 1578.4 2.7 scans 79% 73 m/z 1.9% 0.0449% 854 1.1 106 13202 189762 183214 1-1 20: 73 227 344 301 147 345 154 302 228 211 139 74 126 59 346 329 212 133 303 128 0.907 15.13 -4.0 96 95 91 97 344 31.2 8.657 -0.061 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3769 1598.7 2.8 scans 71% 217 m/z 2.1% 0.0238% 883 1.2 84 11773 0.0513% 100473 100473 216529 0-0 7: 217 73 147 218 219 103 172 0.906 15.44 -4.3 88 88 86 88 393 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1120 Glutamic acid 15.5031 1607.4 2.4 scans 78% TIC 2.4% 0.0186% 895 0.9 75 10540 0.0751% 78592 73765 316984 0-2 0.978 15.56 -3.9 95 94 88 94 363 7.4 0.961 -0.057 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1036 Glutamic acic 15.5031 1607.4 2.5 scans 75% 246 m/z 2.4% 0.0202% 895 1.0 74 10506 85574 85574 0-0 10: 246 247 128 348 248 156 100 84 230 56 0.986 15.50 -0.0 95 92 90 99 363 7.4 0.992 0.000 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1118 Phenylalanine 15.6020 1614.2 5.0 scans 92% TIC 1.0% 0.0869% 904 1.2 140 25443 0.273% 366864 361279 1152286 3-0 0.998 15.66 -4.0 95 93 93 97 294 11.8 0.709 -0.057 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1038 Xylose 15.8903 1634.3 3.3 scans 77% 73 m/z 2.4% 0.0364% 932 2.1 81 10314 153746 149262 1-0 15: 73 103 217 307 189 308 147 218 277 160 89 309 74 133 219 0.928 15.89 0.1 90 89 89 95 307 22.1 7.510 0.000 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1040 Xylose 16.0029 1642.1 2.7 scans 92% 73 m/z 0.58% 0.141% 943 1.1 186 43947 598485 591330 1-0 20: 73 103 307 217 147 189 308 218 160 133 74 117 309 205 75 104 204 148 129 105 0.994 16.00 -0.0 96 94 96 99 307 51.4 7.678 -0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1042 Ribose 16.1029 1649.0 2.7 scans 87% TIC 1.5% 0.0489% 952 0.7 111 17025 0.549% 206611 206611 2317235 0-0 0.993 16.10 0.0 96 94 95 99 307 32.1 8.422 -0.000 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.2281 1657.7 2.9 scans 46% 290 m/z 3.5% 0.00921% 964 1.7 43 7216 0.0111% 38872 37177 46851 1-0 5: 290 291 292 392 158 0.965 16.28 -3.4 93 93 61 93 392 8.9 4.336 -0.048 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1108 Ribose 16.3186 1664.0 2.6 scans 95% 73 m/z 0.24% 0.354% 972 0.9 289 103618 1494322 1487589 2-0 20: 73 103 307 217 147 189 308 277 160 218 309 74 133 104 89 75 117 219 205 105 0.997 16.38 -3.9 95 92 94 98 467 7.9 0.075 -0.056 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6132 1684.5 2.7 scans 86% TIC 2.0% 0.0502% 1000 1.6 107 12697 0.124% 212283 196867 523383 1-0 0.995 16.68 -4.3 98 97 95 97 497 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9962 1711.6 3.4 scans 64% 73 m/z 2.7% 0.0349% 1037 1.6 87 9205 0.193% 147313 147313 814620 0-0 17: 73 217 305 319 147 307 205 103 218 204 129 189 306 148 320 308 131 0.883 17.06 -4.9 92 92 83 93 510 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1044 Putrescine 17.1877 1725.6 2.7 scans 72% 174 m/z 1.0% 0.0406% 1055 1.0 101 24502 171393 166188 1-1 16: 174 175 214 176 86 172 361 200 59 146 130 100 215 173 336 376 0.987 17.19 -0.0 91 87 93 98 376 7.9 0.614 -0.000 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5654 1753.2 2.7 scans 90% TIC 0.26% 0.191% 1091 1.1 226 97251 1.06% 806604 751405 4474079 0-1 0.997 17.63 -4.8 97 95 96 97 450 30.6 1.836 -0.067 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7001 1763.0 2.6 scans 68% 334 m/z (217) 0.65% 0.181% 1104 0.8 205 38984 768106 713715 2-3 16: 334 204 256 129 335 375 255 336 166 167 183 211 285 376 267 206 0.988 17.70 0.1 92 94 92 94 375 27.5 1.813 0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1086 Fructofuranose 18.0716 1790.1 2.7 scans 95% 217 m/z 0.054% 1.65% 1139 0.9 636 473893 2.33% 6967590 6391251 9834532 2-1 20: 217 73 437 147 438 218 219 439 257 74 191 103 133 129 75 230 148 189 215 319 0.999 18.13 -4.5 93 91 93 96 437 190.2 8.959 -0.062 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1084 Shikimic acid 18.1315 1794.5 2.6 scans 41% 204 m/z 0.36% 0.101% 1145 1.2 154 69654 0.167% 426683 359805 704879 0-4 13: 204 205 255 357 206 372 254 358 282 373 447 331 267 0.952 18.20 -4.7 98 97 96 99 462 16.4 1.140 -0.065 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1046 Shikimic acid 18.1326 1794.6 >3 scans 69% TIC 0.35% 0.100% 1145 1.0 199 72092 2.32% 423016 423016 9792324 0-0 0.966 18.13 0.6 93 90 90 96 372 23.9 1.451 0.008 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1048 Citric acid 18.2504 1803.3 2.5 scans 24% 273 m/z (191 204) 0.48% 0.148% 1156 1.0 196 53221 0.270% 624995 609022 1139624 1-2 20: 273 375 347 363 274 465 275 211 221 348 376 231 364 257 305 183 466 467 377 365 0.659 18.24 0.5 81 87 47 95 465 37.5 3.667 0.006 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1082 Citric acid 18.2504 1803.3 2.5 scans 53% 273 m/z (204) 0.22% 0.326% 1156 1.0 291 115184 0.596% 1376165 1340994 2515614 1-2 20: 273 375 347 363 274 465 275 211 221 348 376 231 364 257 305 183 466 467 377 365 0.848 18.32 -5.4 89 91 89 95 465 38.3 1.729 -0.071 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5882 1829.1 4.0 scans 71% 217 m/z 1.2% 0.0688% 1188 1.2 119 20520 0.0734% 290635 288416 309809 1-0 16: 217 73 191 204 147 319 320 192 129 193 189 205 133 74 190 345 0.975 18.67 -6.2 88 87 86 89 319 22.2 3.496 -0.081 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1076 Pregnane?? 18.8049 1845.6 3.0 scans 96% 345 m/z 0.011% 7.48% 1209 0.5 1271 2279735 31583734 29648977 1-1 20: 345 73 255 346 147 347 334 191 204 256 435 372 133 419 239 257 148 74 75 348 1.000 18.86 -4.1 100 100 99 100 537 97.8 0.595 -0.053 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1074 Adenine 18.8817 1851.5 3.0 scans 57% 264 m/z 0.64% 0.0688% 1216 1.3 120 39510 0.304% 290519 260285 1283132 1-0 18: 264 279 265 266 192 280 84 85 99 165 278 237 267 111 248 100 238 164 0.931 18.94 -4.4 95 94 90 97 415 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1072 Fructose 18.9922 1859.9 4.1 scans 98% 73 m/z 0.015% 10.9% 1227 0.4 1326 1703625 46208607 45825008 0-1 20: 73 307 217 103 147 308 218 277 309 133 364 189 205 74 117 219 104 191 148 89 1.000 19.03 -3.1 100 98 99 100 364 154.1 1.356 -0.041 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1052 Fructose 19.1164 1869.4 3.8 scans 96% 73 m/z 0.018% 8.71% 1238 0.5 1207 1375687 17.8% 36777578 34161022 75130763 1-8 20: 73 307 217 103 147 308 218 277 309 364 205 133 74 262 189 219 117 89 148 104 1.000 19.10 1.0 100 99 99 100 364 143.8 1.423 0.012 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1068 Galactopyranose 19.2374 1878.6 3.1 scans 78% 204 m/z 0.14% 0.372% 1250 1.0 328 178736 17.1% 1573671 1573671 72176183 0-0 20: 204 73 191 147 217 205 192 206 129 193 218 74 133 117 203 189 148 435 75 305 0.997 19.32 -5.9 98 96 95 98 435 25.4 0.598 -0.078 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1064 Mannose 19.3342 1886.0 4.8 scans 98% 73 m/z 0.012% 15.1% 1259 0.3 1467 2133804 63895231 62321969 6-0 20: 73 205 147 160 321 103 206 117 229 129 133 157 189 74 148 207 218 161 75 364 0.999 19.45 -9.2 100 99 99 100 319 586.3 16.036 -0.121 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1066 Glucose 19.3394 1886.4 4.8 scans 35% 319 m/z (73) 0.012% 5.42% 1259 0.3 875 2133804 5.57% 22900509 22613431 23510020 2-0 20: 319 320 217 204 291 307 277 231 305 274 233 292 221 300 374 234 376 269 278 308 0.826 19.40 -4.5 83 88 49 88 319 586.3 45.277 -0.060 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1062 Glucose 19.5541 1902.9 3.3 scans 93% TIC 0.031% 4.11% 1280 0.5 875 811870 17385965 17048145 1-1 0.989 19.66 -8.2 99 98 98 98 319 328.9 14.182 -0.102 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1061 Lysine 19.6162 1907.9 >4 scans 63% TIC 2.9% 0.0332% 1286 1.7 86 8555 2.93% 140488 129347 12367030 0-1 0.941 19.61 0.3 88 85 83 97 434 9.3 1.167 0.003 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1060 Lysine 19.6162 1907.9 2.8 scans 38% 174 m/z 4.9% 0.0193% 1286 1.0 66 5203 0.121% 81793 75256 510720 0-1 10: 174 317 156 318 128 230 100 86 200 434 0.973 19.69 -6.2 87 88 83 91 479 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7161 1915.9 2.7 scans 73% 319 m/z 2.9% 0.0320% 1295 1.0 93 8836 0.0963% 135153 135153 406466 0-0 9: 319 205 320 217 103 321 307 218 229 0.987 19.79 -6.0 90 90 85 92 434 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7761 1920.7 3.1 scans 75% TIC 1.6% 0.0380% 1301 1.2 108 15426 0.201% 160420 160420 848387 0-0 0.983 19.79 -1.5 93 93 87 93 333 49.9 21.225 -0.018 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN BRA4_R~2-N1010 Tyrosine 19.8119 1923.6 2.8 scans 23% 218 m/z (103) 3.5% 0.0112% 1304 1.0 48 7205 0.0153% 47428 42192 64579 4-0 7: 218 280 179 220 100 281 354 0.896 19.82 -0.5 81 85 56 89 382 6.2 1.653 -0.006 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN D-GLUC~2-N1028 Glucoronic acid STD 19.9750 1936.7 2.4 scans 29% 333 m/z 9.1% 0.00508% 1320 1.0 36 2807 21457 21457 1-0 2: 333 334 0.672 19.99 -1.4 82 86 58 89 333 21.3 34.119 -0.017 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2896 1962.0 2.5 scans 96% 204 m/z 0.082% 0.790% 1350 0.9 458 311447 3335502 3219080 1-1 20: 204 73 191 147 205 217 206 192 129 218 74 103 133 189 148 193 75 117 435 305 1.000 20.41 -10.0 99 97 98 98 217 99.7 4.749 -0.124 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN WTF2-N1038 C16:0 21.1398 2031.7 3.0 scans 82% 313 m/z 3.4% 0.0358% 1431 1.4 85 7328 151414 125044 1-8 13: 313 117 73 132 129 75 314 145 57 328 118 131 69 0.982 20.62 43.4 83 87 87 94 328 9.9 1.374 0.523 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6595 2075.4 2.7 scans 98% 305 m/z 0.039% 3.38% 1480 0.8 910 643606 14282851 14071254 0-1 20: 305 73 217 318 147 191 306 319 265 204 218 307 432 433 320 133 129 367 291 148 0.999 21.75 -7.5 100 99 99 100 507 76.4 0.708 -0.089 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8658 2092.8 3.2 scans 92% 319 m/z 0.83% 0.143% 1500 0.9 167 30793 604538 563107 2-2 20: 319 73 205 320 147 217 262 321 206 117 74 148 89 133 263 204 376 291 149 129 0.996 21.93 -5.3 96 95 95 96 656 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1867 2120.5 2.6 scans 92% TIC 0.29% 0.271% 1530 1.1 267 86573 0.303% 1144305 1144305 1278911 0-0 0.961 22.19 -0.0 98 98 95 99 396 118.1 19.595 0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6675 2162.5 3.1 scans 89% 204 m/z 2.0% 0.0314% 1576 1.3 81 12754 0.0430% 132926 132926 181496 0-0 13: 204 73 205 249 206 217 147 361 145 117 129 74 191 0.998 22.71 -4.0 97 97 95 97 518 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN BRA4_R~4-N1012 Spermidine 22.8938 2182.3 3.2 scans 55% 174 m/z 9.0% 0.0149% 1597 1.5 53 2817 63148 59652 0-7 14: 174 200 201 172 84 86 418 175 186 142 160 100 59 146 0.899 22.90 -0.5 92 93 78 99 418 8.9 2.883 -0.006 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN WTF2-N1036 C18:0 23.4030 2228.0 3.5 scans 82% 341 m/z 6.0% 0.0218% 1646 2.0 60 4250 0.0274% 92171 90185 115651 0-1 9: 341 117 132 145 342 129 55 356 57 0.976 22.89 46.2 84 91 81 91 356 9.0 2.302 0.514 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN BRA4_R~2-N1006 Spermidine 23.5093 2237.7 2.7 scans 51% 144 m/z (204) 5.3% 0.0220% 1656 1.0 74 4836 93148 93148 1-0 17: 144 174 156 116 160 86 172 170 142 201 145 157 59 175 100 130 128 0.962 23.51 -0.0 91 93 93 98 490 5.9 0.624 0.000 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1227 2293.8 2.7 scans 83% 204 m/z 2.8% 0.0220% 1714 1.5 69 9027 92934 84421 1-2 7: 204 205 217 103 129 206 219 0.983 24.01 10.3 92 92 89 92 490 0.0 0.000 0.113 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6541 2344.0 3.8 scans 87% TIC 2.3% 0.0625% 1765 0.6 99 10708 0.0927% 263951 246083 391271 2-2 0.992 24.65 0.4 93 93 90 93 466 5.3 0.288 0.004 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7467 2352.8 2.7 scans 86% 73 m/z 3.7% 0.0273% 1773 1.3 83 6873 0.0837% 115457 115457 353283 0-0 19: 73 217 204 147 375 292 305 103 219 218 451 293 205 129 233 191 376 74 363 0.992 24.81 -5.6 89 89 86 88 451 10.8 1.691 -0.058 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5323 2528.9 2.9 scans 85% TIC 2.5% 0.0527% 1943 1.6 105 10138 0.0748% 222467 199581 315718 3-1 0.962 26.57 -4.2 96 96 88 96 512 39.7 14.367 -0.041 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9100 2567.9 3.2 scans 62% TIC 8.1% 0.00809% 1979 1.8 42 3152 0.0220% 34151 27402 92858 0-5 0.948 26.39 53.3 82 91 70 91 459 7.3 2.950 0.516 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1020 Sucrose 27.4066 2619.8 7.6 scans 10% 437 m/z (361) 0.046% 2.56% 2026 1.0 482 549672 10846616 10590418 1-1 20: 437 451 438 439 453 440 332 307 450 260 366 423 105 167 274 424 348 287 309 310 0.742 27.46 -5.8 95 97 95 99 437 297.6 38.195 -0.054 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1010 Sucrose 27.4066 2619.8 7.6 scans 98% 437 m/z 0.0081% 23.6% 2026 1.0 1477 3137608 99877385 97518279 1-1 20: 437 451 438 439 453 440 332 307 450 260 366 423 105 167 274 424 348 287 309 310 0.998 27.58 -18.4 100 99 98 99 437 295.9 4.045 -0.172 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN TAB_REP6-N1070 Sucrose 27.4151 2620.7 7.4 scans 88% 361 m/z (437) 0.0092% 21.9% 2027 0.8 1422 2784608 92502956 90091485 1-1 20: 361 362 363 364 320 272 305 321 273 435 306 130 293 291 345 259 258 127 346 206 0.999 27.41 0.6 88 85 73 98 451 0.0 0.000 0.005 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1014 Sucrose 27.4193 2621.2 >5 scans 88% TIC 0.0079% 16.4% 2027 0.3 1428 3209605 21.6% 69579558 67158768 91169915 1-0 1.000 27.49 -7.5 100 99 99 99 437 297.2 4.369 -0.071 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1018 Sucrose 27.4224 2621.5 7.3 scans 50% 319 m/z (73) 0.0079% 12.4% 2028 0.4 1078 3213681 52659634 50886058 1-1 17: 319 332 333 347 450 317 464 349 248 249 433 200 343 239 166 417 355 0.897 27.47 -5.0 90 93 56 92 437 297.1 7.652 -0.048 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1016 Sucrose 27.4266 2621.9 7.3 scans 54% 333 m/z (361) 0.016% 13.1% 2028 0.4 1123 1597923 55543173 53315892 1-1 20: 333 241 450 303 255 265 289 234 114 377 249 174 378 178 164 162 152 120 239 315 0.984 27.48 -5.4 86 86 93 94 437 17.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1008 Sucrose 27.4319 2622.5 6.8 scans 99% 73 m/z 0.0081% 22.3% 2029 0.3 1534 3159525 94383649 93775354 1-0 20: 73 217 147 103 271 169 129 218 243 74 191 133 75 219 230 189 117 204 148 272 0.999 27.59 -17.0 100 99 97 99 437 288.8 3.566 -0.159 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN LQC1-N1006 Trehalose 28.3694 2723.8 3.1 scans 82% 361 m/z 3.4% 0.0198% 2118 0.9 66 7520 0.0585% 83922 79346 246919 0-4 13: 361 362 73 363 191 217 271 103 147 169 129 218 331 0.981 28.47 -11.1 93 93 83 94 565 0.0 0.000 -0.099 G:\GCMS data\Nicotiana Panel polar\N44_REP3.FIN GUA35_L1-N1020 Galactinol 30.6137 2980.5 2.8 scans 95% 204 m/z 0.52% 0.117% 2331 1.2 166 48921 495881 480089 1-3 20: 204 73 205 217 191 147 206 361 305 129 103 230 433 218 318 306 192 319 149 74 0.996 30.55 8.1 83 81 93 84 641 0.0 0.000 0.069 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN EXBLK5S-N1006 Contamination 6.6057 1062.2 2.8 scans 66% 207 m/z (181) 0.89% 0.0514% 49 2.0 103 27196 0.155% 308258 240699 928832 9-3 16: 207 73 295 208 209 296 191 297 189 177 74 193 279 210 247 192 0.984 6.63 -1.1 97 98 95 98 295 32.7 9.987 -0.019 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8204 1074.9 6.7 scans 53% 147 m/z 3.7% 0.0222% 70 0.4 59 6480 0.0777% 133320 131744 465614 0-2 6: 147 117 73 191 190 285 0.932 6.82 -0.0 89 86 87 99 295 2.4 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1194 Alanine 7.4138 1110.1 7.3 scans 69% 116 m/z (154) 1.2% 0.0570% 126 0.6 78 18889 0.0630% 341726 326991 377525 0-7 3: 116 190 118 0.978 7.40 0.6 93 94 92 95 283 0.0 0.000 0.010 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9168 1139.9 2.3 scans 75% 156 m/z 1.9% 0.0192% 174 1.2 77 12390 115177 99134 1-8 5: 156 55 157 54 61 0.972 7.96 -2.3 97 95 94 98 156 41.4 28.650 -0.040 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1192 Contamination 7.9999 1144.8 2.5 scans 59% 73 m/z 3.9% 0.0100% 182 1.2 61 6183 0.0222% 59926 58766 133033 2-0 11: 73 147 133 235 220 72 59 146 74 148 86 0.845 7.99 0.6 94 94 85 94 235 12.7 4.324 0.011 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN WTF2-N1026 Cadaverine NC 8.1924 1156.2 3.4 scans 26% 174 m/z 15% 0.00228% 200 1.2 22 1615 0.00236% 13699 13699 14142 0-0 1: 174 0.734 7.74 27.0 85 92 69 91 216 6.5 8.600 0.456 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1188 Contamination 8.3776 1167.2 3.1 scans 80% 281 m/z 2.4% 0.0248% 218 1.5 75 9796 0.0383% 148634 125803 229511 8-2 12: 281 147 73 369 282 283 370 265 249 371 207 191 0.992 8.41 -2.2 98 97 82 99 369 20.9 7.887 -0.037 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1186 Phosphate 8.5502 1177.4 2.5 scans 88% TIC 0.36% 0.0862% 234 1.2 164 66574 516715 483166 1-5 0.981 8.56 -0.6 99 98 96 99 299 0.0 0.000 -0.011 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1184 Valine 9.1805 1214.6 2.6 scans 69% 144 m/z 1.9% 0.0147% 294 0.8 65 12669 0.0195% 88170 77211 116853 8-3 5: 144 73 218 145 219 0.970 9.19 -0.4 97 97 91 97 218 20.7 10.169 -0.008 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1180 Benzoic acid 9.7434 1247.5 3.4 scans 62% TIC 3.3% 0.0138% 348 0.5 59 7315 0.0215% 83126 80071 128838 1-1 0.851 9.76 -1.0 95 95 91 98 194 8.7 2.173 -0.016 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1178 Ethanolamine 9.9991 1262.5 3.7 scans 59% 174 m/z 3.4% 0.0112% 372 1.0 48 7123 0.0223% 67699 59873 133632 4-0 5: 174 175 100 86 176 0.909 10.03 -2.0 91 94 81 93 262 6.1 1.600 -0.035 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN VEN77_S6-N1002 Glycerol 10.1095 1269.0 3.8 scans 97% 299 m/z 0.0081% 4.93% 382 0.4 1021 2980199 29569826 28774004 1-1 20: 299 300 314 73 301 283 133 211 315 207 193 191 316 135 225 298 284 74 115 75 0.990 10.09 1.0 100 99 96 99 299 642.2 39.795 0.016 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LACTIC~1-N1034 Glycerol 10.1159 1269.3 2.5 scans 4.1% 147 m/z (299) 0.26% 0.168% 383 0.5 210 92971 1009357 975985 1-1 19: 147 205 117 103 218 206 148 149 204 129 101 175 217 203 219 118 293 220 113 0.549 10.11 0.3 85 96 58 93 293 15.5 0.542 0.006 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2474 1277.0 2.6 scans 85% 73 m/z 0.74% 0.0443% 395 1.1 115 32771 0.750% 265554 259158 4494348 5-0 17: 73 198 211 77 199 70 74 239 381 212 289 200 63 72 142 92 170 0.988 10.24 0.4 98 98 96 98 381 12.8 1.240 0.007 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1176 Isoleucine 10.4347 1288.0 2.5 scans 57% 158 m/z 2.0% 0.0108% 413 1.2 59 11674 0.0126% 64779 64692 75505 1-0 4: 158 159 232 219 0.916 10.46 -1.4 96 95 87 97 260 3.7 0.397 -0.024 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1012 Proline 10.5262 1293.3 2.5 scans 94% 142 m/z 0.050% 0.470% 422 0.9 374 480263 2.71% 2820156 2452269 16239579 6-1 20: 142 73 143 216 147 144 74 75 72 59 66 217 100 133 101 244 148 170 218 131 1.000 10.53 -0.5 100 98 98 100 216 68.2 3.339 -0.007 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1014 Maleic acid 10.6104 1298.3 2.6 scans 97% 147 m/z 0.036% 0.835% 430 0.8 505 671064 2.85% 5007617 4923088 17078524 1-5 20: 147 73 245 148 75 149 83 133 74 246 115 143 126 170 59 58 84 72 66 242 0.998 10.60 0.5 99 98 98 99 245 120.9 5.752 0.008 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1170 Glycine 10.6619 1301.3 >4 scans 57% TIC 1.3% 0.00880% 435 0.9 82 18334 2.23% 52754 52754 13363196 0-0 0.983 10.69 -1.5 92 92 87 92 276 12.7 2.403 -0.025 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7566 1307.0 3.3 scans 95% TIC 0.018% 2.23% 444 0.9 704 1336787 13369231 13119863 1-1 0.976 10.76 -0.1 99 98 98 99 251 166.1 5.583 -0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1168 Glyceric acid 11.0197 1322.9 2.5 scans 94% 73 m/z 0.27% 0.185% 469 1.1 241 87309 0.193% 1114035 1030139 1156546 1-5 20: 73 147 292 189 133 103 205 293 307 117 190 102 148 75 294 74 59 149 101 191 0.998 11.05 -2.0 100 99 98 100 292 71.8 8.848 -0.034 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0839 1326.7 2.9 scans 66% TIC 5.9% 0.00914% 475 0.7 54 4101 0.178% 54771 54771 1066659 0-0 0.938 11.06 1.2 96 97 88 97 285 16.6 9.361 0.021 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1018 Uracil 11.1396 1330.1 2.7 scans 66% 241 m/z 5.3% 0.00971% 480 1.2 52 4549 0.00981% 58210 52662 58786 1-4 6: 241 255 99 256 242 113 0.920 11.15 -0.5 94 94 81 98 256 16.9 10.552 -0.008 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1164 Itaconic acid 11.2207 1335.0 2.5 scans 76% 147 m/z 1.4% 0.0232% 488 0.9 85 16408 0.0252% 139047 127641 151010 3-3 11: 147 259 148 215 97 230 74 141 67 133 83 0.951 11.25 -1.9 92 90 90 96 259 17.8 4.377 -0.031 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1162 Fumaric acid 11.3722 1344.1 2.6 scans 96% 245 m/z 0.049% 0.705% 502 0.8 460 491993 4229690 4047982 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 74 115 155 53 84 59 157 58 61 0.996 11.39 -1.2 100 99 98 100 245 260.9 32.313 -0.021 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4637 1349.6 3.0 scans 11% 57 m/z 0.99% 0.0367% 511 1.5 96 24544 0.0415% 220135 210966 248687 1-0 10: 57 97 115 145 127 129 69 111 109 128 0.895 11.45 1.1 85 86 76 89 145 32.8 11.743 0.018 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4869 1351.0 >4 scans 92% TIC 0.054% 0.926% 513 1.1 439 449648 1.40% 5551415 5153763 8389450 3-0 0.997 10.96 32.0 95 96 97 99 161 108.5 6.121 0.531 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1020 Serine 11.5142 1352.6 5.5 scans 92% TIC 0.063% 0.670% 516 2.0 476 385519 1.40% 4020442 3908537 8389450 0-1 1.000 11.51 0.0 100 99 99 100 306 51.0 1.148 0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1160 Serine 11.5163 1352.8 2.4 scans 91% 204 m/z (84) 0.063% 0.701% 516 0.9 472 384158 4204748 4031785 2-1 20: 204 73 218 205 147 100 219 188 278 206 75 74 306 220 116 59 189 148 279 216 0.997 11.56 -2.4 98 99 99 99 306 50.6 1.149 -0.041 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1022 Thymine 11.5984 1357.7 2.4 scans 62% 255 m/z 2.2% 0.0103% 524 1.0 57 10960 62166 60048 1-1 6: 255 270 256 257 269 120 0.889 11.60 -0.1 98 97 90 99 270 19.3 11.365 -0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN BRA4_R~2-N1008 Thymine 11.5994 1357.8 2.9 scans 68% TIC 2.2% 0.00970% 524 1.6 60 11030 1.66% 58163 58163 9947491 0-0 0.956 11.58 1.0 97 95 89 100 270 19.2 10.187 0.015 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1024 Threonine 11.9183 1377.0 2.5 scans 95% 73 m/z 0.30% 0.184% 554 1.1 241 79886 1107187 1085329 1-1 20: 73 218 219 117 291 292 101 147 220 100 57 203 293 74 75 128 320 221 133 132 0.998 11.92 -0.1 100 99 99 100 320 22.9 0.901 -0.003 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1148 Glutamine?? 13.3345 1465.1 2.7 scans 95% 155 m/z 0.079% 0.458% 689 0.5 350 307168 0.472% 2746009 2613989 2828443 2-0 20: 155 73 147 156 229 139 59 75 74 100 157 148 257 131 84 133 103 72 230 56 0.994 13.35 -0.8 99 98 98 99 257 28.9 0.682 -0.012 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1146 Malic acid 13.5986 1481.7 5.7 scans 99% 73 m/z 0.010% 10.9% 714 0.2 1254 2365080 65376640 65112667 1-0 20: 73 147 148 75 74 149 55 101 59 117 235 72 143 192 134 337 176 266 135 129 0.999 13.62 -1.1 100 100 100 100 350 35.1 0.079 -0.018 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1142 Erythritol/Threitol 13.7186 1489.3 2.6 scans 90% TIC 0.87% 0.0636% 725 1.6 137 27837 10.3% 381488 381488 61722384 0-0 0.995 13.89 -10.8 95 92 94 98 320 12.2 0.792 -0.171 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7870 1493.6 3.8 scans 86% 115 m/z 0.43% 0.194% 732 0.7 219 55673 0.285% 1162649 1162649 1707852 0-0 18: 115 243 100 128 73 116 244 59 201 158 245 72 101 70 142 131 102 74 0.985 13.81 -1.2 100 99 98 99 243 86.2 15.438 -0.019 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0321 1509.5 2.4 scans 47% 232 m/z 0.12% 0.198% 755 1.3 251 189387 1189476 1173893 0-2 18: 232 218 233 100 202 234 188 216 219 306 130 292 220 334 204 235 349 189 0.950 14.02 1.0 91 90 83 95 258 5.5 0.000 0.015 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1140 Aspartic acid 14.0458 1510.4 >3 scans 78% 73 m/z (156) 0.12% 0.483% 756 1.3 335 189387 1.22% 2897302 2775478 7310807 1-0 1: 73 0.993 14.09 -2.7 97 98 98 99 349 17.9 0.286 -0.041 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0742 1512.3 3.2 scans 89% 156 m/z 0.032% 1.10% 759 0.5 508 741040 6635289 6316718 1-1 16: 156 147 258 157 230 158 259 231 148 59 58 140 72 121 86 55 0.987 14.11 -2.4 100 99 99 99 273 22.0 0.188 -0.036 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1134 GABA 14.1963 1520.4 2.6 scans 91% 174 m/z (226) 0.13% 0.335% 771 1.2 306 179965 2009245 1805019 5-3 20: 174 73 304 147 175 305 86 75 176 216 306 59 246 143 133 172 100 130 148 74 0.999 14.24 -3.0 98 99 98 99 304 94.7 9.611 -0.046 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1032 GABA 14.1973 1520.4 2.7 scans 92% TIC 0.13% 0.343% 771 1.4 306 181745 1.84% 2057869 1786611 11026135 0-7 0.992 14.19 0.6 100 99 98 99 304 95.2 9.680 0.009 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3636 1531.5 3.8 scans 71% TIC 1.1% 0.0694% 787 0.4 112 22094 0.175% 416240 380694 1048681 0-3 0.919 14.62 -17.1 95 95 88 97 409 8.8 0.623 -0.257 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6098 1547.8 2.8 scans 86% TIC 0.69% 0.0791% 810 1.4 148 35288 0.103% 474037 456363 617224 0-1 0.989 14.69 -5.4 96 94 93 97 409 10.9 0.540 -0.082 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1126 Pyrazine 15.0770 1578.8 2.7 scans 90% 73 m/z 0.50% 0.147% 854 1.0 206 48346 884669 884669 0-0 20: 73 227 344 301 147 345 154 228 302 139 211 346 303 126 329 59 74 229 133 128 0.995 15.13 -3.6 99 98 97 99 344 63.1 9.389 -0.055 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3800 1598.9 2.9 scans 66% TIC 1.4% 0.0260% 883 2.1 82 16415 0.203% 156066 122721 1216470 0-1 0.921 15.44 -4.1 93 94 89 94 393 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1120 Glutamic acid 15.5042 1607.4 2.6 scans 85% 246 m/z 0.75% 0.0519% 895 1.0 128 32476 311088 284710 1-2 18: 246 73 247 128 147 248 348 230 156 100 84 56 363 129 218 349 149 158 0.991 15.56 -3.9 99 99 97 98 363 12.8 1.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1118 Phenylalanine 15.6083 1614.7 2.7 scans 62% 218 m/z (267) 2.3% 0.0225% 905 1.1 80 10549 135419 125411 1-1 5: 218 192 219 266 220 0.861 15.66 -3.5 91 94 84 97 294 5.9 0.541 -0.051 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1038 Xylose 15.8914 1634.3 3.2 scans 55% 217 m/z 4.1% 0.0139% 932 1.7 54 5817 0.0509% 83686 72799 305016 2-1 4: 217 307 103 189 0.780 15.89 0.1 88 90 82 97 307 14.4 7.247 0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1040 Xylose 16.0061 1642.3 2.6 scans 79% 103 m/z 1.2% 0.0402% 943 1.0 112 20230 0.109% 241239 235224 653179 1-2 13: 103 217 307 308 160 189 277 218 104 205 89 133 191 0.942 16.00 0.2 96 97 95 97 307 30.7 7.540 0.002 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1042 Ribose 16.1039 1649.1 2.7 scans 77% 73 m/z 1.4% 0.0327% 952 0.9 103 16514 0.158% 196034 195580 946809 1-0 20: 73 103 307 217 308 147 160 277 189 218 104 309 89 233 205 133 74 105 204 117 0.983 16.10 0.1 97 96 95 98 307 30.5 8.759 0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1112 Asparagine?? 16.2028 1656.0 2.8 scans 45% 116 m/z 6.1% 0.0170% 961 1.1 68 3959 0.0352% 101893 99909 210935 0-1 12: 116 231 188 132 232 141 100 202 258 233 203 99 0.600 16.26 -4.0 82 86 66 89 348 4.8 0.498 -0.059 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1108 Ribose 16.3186 1664.0 2.7 scans 49% 103 m/z (330) 2.8% 0.0201% 972 0.9 72 8470 120957 113254 3-2 9: 103 307 308 189 160 277 309 104 89 0.924 16.38 -3.9 86 88 81 90 467 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6142 1684.5 2.6 scans 90% TIC 0.64% 0.100% 1001 1.5 172 37963 0.168% 602734 567793 1006734 1-0 0.995 16.68 -4.3 100 99 99 99 497 4.6 0.073 -0.062 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1104 Rhamnose 16.8752 1702.8 2.5 scans 72% 117 m/z 1.3% 0.0298% 1025 1.2 100 18164 0.0911% 178722 176191 545914 1-0 12: 117 160 277 147 118 321 161 278 219 119 133 129 0.977 16.93 -4.1 87 87 89 91 392 5.9 0.349 -0.057 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9267 1706.6 3.6 scans 66% TIC 1.7% 0.0308% 1030 1.6 106 14178 0.397% 184788 184788 2379008 0-0 0.928 16.99 -4.5 94 95 91 96 422 3.4 0.100 -0.062 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9962 1711.6 2.9 scans 85% TIC 1.0% 0.0603% 1037 1.0 134 23696 0.509% 361569 350320 3050164 0-2 0.990 17.06 -4.9 97 96 94 96 510 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1044 Putrescine 17.1887 1725.7 2.7 scans 78% 174 m/z (73) 0.42% 0.0646% 1055 1.2 138 57231 387442 383936 0-1 17: 174 175 214 176 86 172 200 361 100 130 376 142 187 362 114 126 128 0.982 17.19 0.1 97 97 98 99 376 11.0 0.636 0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1096 Putrescine 17.1887 1725.7 2.7 scans 65% 174 m/z 0.42% 0.0530% 1055 1.2 126 57724 317658 314783 0-1 17: 174 175 214 176 86 172 200 361 100 130 376 142 187 362 114 126 128 0.986 17.25 -4.3 97 96 95 98 458 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1094 cis-Aconitic acid 17.3055 1734.2 3.0 scans 56% TIC 6.3% 0.00584% 1066 1.4 47 3836 35020 35020 0-0 0.914 17.36 -4.1 86 87 79 88 436 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3792 1739.6 2.8 scans 49% 292 m/z 4.1% 0.0138% 1073 1.1 63 5805 82983 74022 5-1 9: 292 333 307 103 217 294 334 293 335 0.874 17.44 -4.7 92 93 79 92 511 5.0 0.622 -0.064 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5686 1753.4 2.6 scans 94% 217 m/z 0.11% 0.334% 1091 1.0 319 214428 0.387% 2005902 1987722 2319084 1-0 20: 217 73 218 147 219 74 232 133 305 75 191 451 148 257 129 203 149 169 72 103 0.999 17.63 -4.6 98 96 97 98 450 45.9 2.073 -0.063 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1088 Glutamine?? 17.6580 1759.9 3.6 scans 84% 73 m/z (217) 0.30% 0.252% 1100 1.2 242 79503 0.615% 1511985 1481933 3685366 1-0 18: 73 147 292 333 294 293 305 204 231 248 101 331 102 113 190 134 186 174 0.966 17.73 -5.0 91 92 95 95 511 4.4 0.000 -0.068 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6980 1762.8 >2 scans 68% TIC 1.0% 0.0413% 1104 2.7 143 22384 0.749% 247939 247939 4488356 0-0 0.991 17.70 -0.1 92 92 89 92 375 18.1 1.613 -0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1046 Shikimic acid 18.1273 1794.2 2.7 scans 64% 204 m/z 0.42% 0.105% 1144 1.0 169 57164 0.142% 629487 577182 850930 3-3 14: 204 206 357 255 372 254 358 447 373 331 462 282 463 267 0.972 18.13 0.2 95 95 92 97 372 20.1 1.413 0.002 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1082 Citric acid 18.2515 1803.4 2.6 scans 92% 273 m/z 0.14% 0.446% 1156 1.0 375 165679 0.573% 2676248 2629361 3433682 2-1 20: 273 73 147 347 363 375 274 465 211 275 75 148 376 149 348 305 133 364 74 257 0.990 18.32 -5.3 98 97 96 99 465 56.4 2.262 -0.070 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1076 Pregnane?? 18.7818 1843.8 2.7 scans 97% 345 m/z 0.059% 0.964% 1207 0.8 515 409600 5776886 5653529 1-1 20: 345 73 346 255 147 347 334 204 256 191 435 419 257 372 74 148 133 239 537 348 0.999 18.86 -5.9 100 99 99 100 537 39.6 0.592 -0.076 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1074 Adenine 18.8786 1851.2 3.0 scans 24% 264 m/z 2.9% 0.00828% 1216 1.4 45 8186 0.0313% 49660 49660 187564 0-0 5: 264 279 265 266 280 0.972 18.94 -4.7 89 89 80 93 415 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1072 Fructose 18.9712 1858.3 3.9 scans 96% 73 m/z 0.025% 3.89% 1225 0.8 892 958807 23332979 21866278 3-1 20: 73 307 217 103 147 308 218 277 133 309 364 205 189 74 117 219 104 89 148 75 0.999 19.03 -4.7 100 98 99 100 364 102.7 1.330 -0.062 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1052 Fructose 19.0974 1867.9 4.8 scans 95% TIC 0.031% 3.89% 1237 0.6 787 767866 19.6% 23312547 23115980 117452304 0-5 0.992 19.10 -0.5 99 99 99 99 364 88.6 1.272 -0.007 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1064 Mannose 19.3320 1885.8 5.3 scans 98% 73 m/z 0.011% 12.0% 1259 0.3 1382 2198941 72046326 71930356 1-0 20: 73 205 147 320 160 217 321 103 206 229 117 157 133 129 189 204 74 148 207 218 0.996 19.45 -9.4 100 99 99 100 319 551.7 15.983 -0.123 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1059 Glucose 19.5520 1902.7 3.2 scans 94% TIC 0.026% 3.21% 1280 0.5 871 919716 19242313 18999552 1-1 0.980 19.55 0.0 100 99 98 100 376 36.3 0.174 -0.000 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1060 Lysine 19.6140 1907.7 2.8 scans 23% 317 m/z 5.2% 0.0105% 1286 1.0 52 4608 0.0511% 62918 58320 306215 0-2 8: 317 174 156 128 176 200 86 434 0.940 19.69 -6.4 85 85 75 89 479 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1061 Lysine 19.6151 1907.8 >4 scans 53% TIC 2.6% 0.0192% 1286 1.7 79 9181 2.06% 115191 115191 12344477 0-0 0.928 19.61 0.2 83 79 79 93 434 7.8 0.974 0.002 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7161 1915.9 2.8 scans 83% 73 m/z 0.62% 0.0823% 1295 1.1 163 39150 0.239% 493388 493388 1432199 0-0 20: 73 244 205 147 319 117 217 103 89 320 245 74 206 148 307 321 133 75 229 149 0.985 19.79 -6.0 93 92 93 93 434 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1056 Ascorbic acid 19.9045 1931.1 3.0 scans 82% TIC 0.58% 0.101% 1313 0.7 167 41425 0.215% 605917 605917 1288380 0-0 0.952 19.99 -6.6 97 96 95 97 449 17.2 1.060 -0.082 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2853 1961.7 2.7 scans 60% 204 m/z 0.66% 0.0723% 1349 1.1 143 36710 0.0723% 433324 430618 433255 2-1 7: 204 191 206 192 193 203 243 0.596 20.41 -10.3 86 88 72 93 217 48.4 0.000 -0.129 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2917 1962.2 2.9 scans 77% 73 m/z 0.44% 0.133% 1350 1.1 191 55095 798412 732349 5-1 20: 73 217 147 103 218 333 74 148 393 433 129 305 117 435 133 149 306 131 143 331 0.833 20.30 -0.3 91 94 90 92 433 18.0 0.888 -0.004 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1050 Gluconic acid 20.5652 1984.2 2.7 scans 84% 73 m/z 0.70% 0.0906% 1376 1.1 168 34389 0.260% 543280 507349 1558041 0-2 20: 73 333 292 147 305 319 334 205 217 293 103 423 359 335 320 277 435 433 307 74 0.970 20.65 -6.7 98 97 94 97 613 7.8 0.217 -0.083 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1048 Galactaric acid 21.0797 2026.7 2.7 scans 49% 333 m/z 7.3% 0.00539% 1425 1.0 40 3316 0.00555% 32303 29344 33258 1-0 3: 333 292 334 0.869 21.15 -6.0 82 83 70 83 627 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN WTF2-N1038 C16:0 21.1387 2031.7 2.9 scans 78% TIC 1.9% 0.0406% 1431 1.1 108 12499 0.0524% 243592 240595 314005 0-3 0.930 20.62 43.4 86 90 91 96 328 11.3 1.083 0.522 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1042 myo-Inositol 21.7090 2079.6 5.7 scans 84% 305 m/z (507) 0.013% 12.7% 1485 0.3 1383 1783220 76423382 76421678 1-0 20: 305 73 217 318 147 191 306 319 265 204 218 307 432 320 129 433 367 133 291 192 0.978 21.77 -5.5 95 95 97 98 318 344.9 6.231 -0.065 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.7090 2079.6 5.7 scans 97% 305 m/z 0.011% 14.7% 1485 0.3 1489 2086515 88243909 88241942 1-0 20: 305 73 217 318 147 191 306 319 265 204 218 307 432 320 129 433 367 133 291 192 0.997 21.75 -3.3 100 100 99 100 507 112.4 0.572 -0.040 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8721 2093.3 3.2 scans 96% 319 m/z 0.045% 1.82% 1500 0.9 652 537133 10925983 10193688 3-1 20: 319 73 205 147 320 217 321 103 206 117 204 229 74 157 133 148 129 89 207 218 0.998 21.93 -4.8 95 92 95 99 656 15.2 0.054 -0.058 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1919 2121.0 2.6 scans 92% 396 m/z 0.19% 0.311% 1531 1.0 306 124937 0.323% 1867400 1867400 1935566 0-0 20: 396 219 73 397 381 398 220 307 191 249 382 293 75 147 383 74 399 308 221 233 0.986 22.19 0.5 98 97 94 99 396 131.5 18.444 0.006 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6633 2162.1 3.6 scans 93% 204 m/z 0.23% 0.229% 1575 1.4 225 102248 0.323% 1372484 1312630 1935566 1-0 20: 204 73 205 147 217 249 206 361 117 145 191 131 74 75 218 219 103 129 133 189 0.998 22.71 -4.4 93 89 93 99 518 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN BRA4_R~4-N1012 Spermidine 22.8958 2182.4 3.6 scans 48% 174 m/z (202) 11% 0.00890% 1598 1.9 43 2062 0.0109% 53340 53340 65318 0-0 7: 174 200 201 172 418 146 86 0.963 22.90 -0.4 93 96 92 99 418 7.3 2.953 -0.004 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN WTF2-N1036 C18:0 23.3935 2227.1 3.1 scans 82% 341 m/z 2.7% 0.0341% 1645 1.5 87 8831 0.0350% 204566 178864 209736 1-6 16: 341 117 342 145 132 75 129 55 356 57 69 118 201 297 83 131 0.989 22.89 45.3 88 94 89 95 356 12.1 1.937 0.505 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1206 2293.6 3.1 scans 48% TIC 8.2% 0.00222% 1714 1.2 32 2962 0.0249% 13347 13347 149212 0-0 0.886 24.01 10.1 81 84 71 82 490 0.0 0.000 0.111 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6499 2343.6 3.3 scans 93% 73 m/z 0.21% 0.430% 1764 1.0 330 115078 0.577% 2582529 2492519 3457652 0-3 20: 73 331 147 191 217 307 421 262 319 205 103 332 305 259 422 333 308 74 204 376 0.999 24.65 0.0 97 94 97 99 466 20.3 0.378 -0.000 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7425 2352.4 3.0 scans 84% 73 m/z 2.1% 0.0373% 1773 1.0 99 11498 0.366% 224042 203411 2193242 0-2 20: 73 217 204 147 292 375 305 218 219 451 293 376 233 205 206 131 337 129 74 133 0.986 24.81 -6.0 90 90 87 89 451 12.1 1.497 -0.063 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4418 2519.5 2.9 scans 95% TIC 0.38% 0.232% 1935 0.9 245 63740 0.311% 1394232 1339457 1863656 3-1 0.998 26.52 -8.1 93 92 92 92 740 28.8 1.385 -0.079 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5301 2528.6 2.8 scans 71% 512 m/z 2.0% 0.0414% 1943 1.0 110 12141 248221 237458 1-1 19: 512 455 513 247 456 514 57 483 349 263 249 248 497 234 484 207 383 353 515 0.910 26.57 -4.5 97 97 88 97 512 41.0 13.778 -0.043 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN WTF2-N1032 Sucrose 26.6469 2540.7 2.5 scans 65% 361 m/z 7.9% 0.00843% 1954 0.9 52 3071 50526 47511 1-1 4: 361 437 273 362 0.930 26.87 -23.0 88 89 79 90 451 6.8 1.747 -0.223 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN WTF2-N1028 C16:0-glycerol 26.8995 2566.8 >4 scans 50% TIC 4.1% 0.00381% 1978 0.9 49 5876 0.0397% 22862 22862 237901 0-0 0.938 26.39 52.2 81 89 63 90 459 8.0 2.670 0.505 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1020 Sucrose 27.4034 2619.5 7.4 scans 10% 437 m/z (361) 0.044% 1.75% 2026 1.1 451 548126 10490810 10266159 1-1 20: 437 451 438 439 452 204 307 423 71 440 306 424 308 454 425 309 222 346 278 465 0.678 27.46 -6.1 93 95 91 99 437 275.4 37.445 -0.058 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1010 Sucrose 27.4034 2619.5 7.4 scans 100% 437 m/z 0.0075% 16.4% 2026 1.1 1405 3222388 98794012 96678433 1-1 20: 437 451 438 439 452 204 307 423 71 440 306 424 308 454 425 309 222 346 278 465 0.997 27.58 -18.7 100 99 98 99 437 275.4 3.868 -0.176 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1018 Sucrose 27.4108 2620.3 7.2 scans 49% 362 m/z (73) 0.0075% 8.50% 2027 0.8 993 3222388 50990534 50152225 1-1 10: 362 363 364 101 345 232 277 175 335 334 0.911 27.47 -6.2 89 92 55 91 437 275.4 7.758 -0.059 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1014 Sucrose 27.4192 2621.2 >5 scans 95% 271 m/z 0.0075% 12.4% 2027 0.3 1378 3222388 15.8% 74521138 71825916 94680939 1-0 20: 271 218 219 189 148 143 233 258 192 215 163 435 190 207 441 235 343 455 378 182 1.000 27.49 -7.5 100 99 99 99 437 275.4 4.024 -0.071 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1016 Sucrose 27.4308 2622.4 6.7 scans 47% 73 m/z (361) 0.015% 7.74% 2029 0.2 985 1596588 46434399 44649712 1-1 20: 73 217 147 103 271 129 169 243 218 319 74 191 75 219 272 133 230 117 148 149 0.970 27.48 -4.9 88 91 94 92 437 16.3 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1008 Sucrose 27.4308 2622.4 6.7 scans 99% 73 m/z 0.0077% 15.6% 2029 0.2 1418 3152436 93601839 90004293 1-1 20: 73 217 147 103 271 129 169 243 218 319 74 191 75 219 272 133 230 117 148 149 0.999 27.59 -17.1 100 99 97 99 437 267.4 3.579 -0.160 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN LQC1-N1006 Trehalose 28.3673 2723.5 2.9 scans 51% 361 m/z 5.4% 0.00630% 2118 1.1 42 4436 0.0199% 37777 34201 119250 0-1 4: 361 362 363 191 0.936 28.47 -11.4 89 89 72 90 565 0.0 0.000 -0.101 G:\GCMS data\Nicotiana Panel polar\N44_REP4.FIN GUA35_L1-N1020 Galactinol 30.6221 2981.5 3.1 scans 90% 204 m/z 1.1% 0.0387% 2332 1.3 100 20878 232476 214754 1-8 20: 204 73 205 217 191 147 206 129 218 433 305 361 230 103 318 319 192 293 74 148 0.985 30.55 9.1 82 81 91 82 641 0.0 0.000 0.077 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN EXBLK5S-N1006 Contamination 6.4056 1050.3 3.6 scans 71% TIC 0.95% 0.0337% 30 1.4 120 29093 0.0670% 225950 220414 448610 2-0 0.983 6.63 -13.0 99 98 95 98 295 37.0 9.531 -0.219 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1194 Alanine 7.4515 1112.3 13.6 scans 74% TIC 1.1% 0.0978% 130 1.5 109 24706 0.173% 655030 655030 1158352 0-0 0.976 7.40 2.8 95 94 94 96 283 4.2 0.151 0.048 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN A-KETO~2-N1006 Contamination?? 7.9934 1144.4 2.5 scans 76% 156 m/z (125) 1.9% 0.0235% 181 1.1 92 14269 0.0305% 157935 131388 204218 14-4 10: 156 75 55 157 54 74 61 158 76 82 0.993 7.96 2.2 97 98 97 98 156 49.1 28.579 0.036 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1192 Contamination 8.0755 1149.3 3.3 scans 43% TIC 9.4% 0.00335% 189 1.8 45 2943 0.0148% 22453 22453 99096 0-0 0.837 7.99 5.1 87 90 80 89 235 9.2 4.103 0.086 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1188 Contamination 8.3974 1168.4 5.9 scans 72% 281 m/z 2.9% 0.0326% 220 2.5 76 9350 0.0335% 218303 184740 224305 2-13 12: 281 369 147 282 283 265 370 371 207 191 251 284 0.980 8.41 -1.0 98 98 85 99 369 22.6 8.806 -0.018 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1186 Phosphate 8.6089 1180.9 2.5 scans 35% 241 m/z (215) 3.7% 0.00714% 240 1.1 55 7465 47835 47411 0-1 10: 241 242 211 133 163 169 243 256 135 195 0.792 8.56 2.9 90 92 75 96 299 0.0 0.000 0.048 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1184 Valine 9.2213 1217.0 5.2 scans 80% 144 m/z (156) 1.3% 0.0437% 298 0.4 95 20268 0.0543% 292745 261903 363575 2-15 10: 144 73 218 145 147 219 146 59 74 220 0.979 9.19 2.0 96 98 95 98 218 28.0 8.632 0.033 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1180 Benzoic acid 9.7832 1249.9 3.2 scans 62% 179 m/z 6.0% 0.00936% 351 0.6 54 4606 0.0105% 62683 62552 70305 1-0 5: 179 105 135 77 180 0.917 9.76 1.4 92 91 88 96 194 7.6 1.998 0.024 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1178 Ethanolamine 10.0157 1263.5 5.2 scans 80% 174 m/z 1.1% 0.0556% 373 1.1 105 24076 0.234% 372286 330444 1566788 4-0 9: 174 73 175 100 176 262 133 59 130 0.987 10.03 -1.0 97 96 95 98 262 11.6 1.222 -0.018 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN VEN77_S6-N1002 Glycerol 10.1157 1269.3 2.7 scans 94% 299 m/z 0.042% 0.845% 383 0.8 579 663700 5659705 5541980 1-1 20: 299 300 73 314 301 211 133 283 207 315 193 191 135 316 302 74 225 75 181 137 0.979 10.09 1.3 100 98 95 100 299 335.1 33.558 0.022 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LACTIC~1-N1034 Glycerol 10.1241 1269.8 3.9 scans 10% 205 m/z (299) 0.83% 0.0855% 384 0.7 151 33460 0.0950% 572739 531704 636089 0-1 13: 205 117 218 206 149 204 129 175 118 101 217 293 220 0.564 10.11 0.8 88 97 58 94 293 12.4 0.680 0.014 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2630 1277.9 2.7 scans 61% 73 m/z 5.0% 0.00563% 397 1.0 50 5549 37735 35513 1-3 4: 73 198 211 77 0.930 10.24 1.3 89 89 82 89 381 4.0 0.651 0.023 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1176 Isoleucine 10.4566 1289.3 3.3 scans 69% 158 m/z 1.4% 0.0276% 415 0.7 91 19057 0.0517% 184804 161581 346166 4-0 10: 158 159 218 232 160 219 100 59 128 57 0.972 10.46 -0.1 98 98 94 98 260 7.4 0.659 -0.002 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1012 Proline 10.5460 1294.5 3.2 scans 93% TIC 0.11% 0.252% 424 0.6 295 236434 1.50% 1691019 1691019 10043511 0-0 0.998 10.53 0.7 100 98 99 100 216 53.5 3.281 0.013 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6197 1298.8 2.6 scans 93% 147 m/z 0.15% 0.209% 431 1.0 300 181245 1.13% 1401002 1367166 7566112 0-6 20: 147 73 245 148 75 83 149 133 74 246 115 143 59 84 170 247 58 126 72 61 0.984 10.60 1.0 99 98 98 100 245 67.9 5.125 0.018 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1170 Glycine 10.6786 1302.3 >5 scans 45% TIC 3.7% 0.00514% 436 0.7 58 7464 0.751% 34458 34458 5028451 0-0 0.963 10.69 -0.5 90 90 82 91 276 10.3 3.200 -0.008 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7617 1307.3 3.0 scans 92% 147 m/z 0.045% 0.884% 444 1.0 542 607173 5919747 5454188 2-1 20: 147 73 76 251 148 149 58 132 74 252 133 177 150 118 59 62 253 72 222 134 0.968 10.76 0.2 100 98 98 100 251 124.8 5.322 0.004 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1168 Glyceric acid 11.0322 1323.6 2.5 scans 94% 73 m/z 0.43% 0.111% 470 1.0 225 63996 0.113% 746977 713709 756611 1-1 20: 73 147 292 189 133 205 103 293 117 102 190 307 148 74 75 294 59 149 101 191 0.997 11.05 -1.3 99 98 98 99 292 66.5 8.718 -0.022 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0984 1327.6 2.6 scans 63% 184 m/z 8.8% 0.00789% 476 1.0 57 3140 52885 49820 1-1 8: 184 285 134 174 86 77 286 100 0.954 11.06 2.1 91 91 86 95 285 18.5 10.695 0.035 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1018 Uracil 11.1574 1331.1 2.4 scans 51% 241 m/z 11% 0.00349% 482 0.9 40 2450 0.00367% 23409 22566 24573 1-0 5: 241 256 99 255 242 0.921 11.15 0.5 95 96 97 99 256 14.2 12.957 0.009 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1162 Fumaric acid 11.3773 1344.4 2.4 scans 97% 245 m/z 0.16% 0.218% 503 1.0 314 171271 1463017 1444879 2-0 20: 245 147 73 246 75 143 247 83 148 133 149 115 155 74 84 240 61 53 59 58 0.999 11.39 -0.9 99 98 98 99 245 170.2 29.303 -0.016 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4720 1350.1 3.4 scans 69% 57 m/z 1.6% 0.0268% 512 0.9 92 16688 0.0343% 179654 175443 229662 1-0 15: 57 97 145 115 129 127 55 56 69 111 109 128 71 83 87 0.978 11.45 1.6 84 81 87 94 145 26.3 8.173 0.026 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1160 Serine 11.5246 1353.3 2.4 scans 96% TIC 0.11% 0.469% 517 0.8 447 248496 0.491% 3141631 2997988 3287576 0-1 0.996 11.56 -1.9 100 99 98 99 306 45.3 1.024 -0.032 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1022 Thymine 11.6066 1358.2 3.0 scans 57% 255 m/z 6.1% 0.00430% 525 0.7 40 4541 28848 28848 1-0 3: 255 270 256 0.955 11.60 0.4 97 97 87 97 270 14.8 14.068 0.008 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN BRA4_R~2-N1008 Thymine 11.6077 1358.3 3.0 scans 59% TIC 6.1% 0.00271% 525 1.3 40 4541 0.461% 18184 17289 3086706 0-1 0.950 11.58 1.5 98 98 93 99 270 14.9 13.972 0.024 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1024 Threonine 11.9265 1377.5 2.5 scans 94% TIC 0.45% 0.123% 555 0.9 228 61823 824838 751193 4-1 0.999 11.92 0.4 100 99 99 100 320 20.0 0.766 0.006 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1148 Glutamine?? 13.2944 1462.6 2.8 scans 91% 155 m/z 0.43% 0.0863% 685 1.0 187 64883 0.102% 578264 532085 682959 2-1 20: 155 73 147 156 139 229 59 75 100 74 157 148 84 56 131 257 103 133 230 72 0.988 13.35 -3.3 97 95 97 99 257 14.5 0.599 -0.053 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1146 Malic acid 13.5469 1478.5 2.5 scans 98% 73 m/z 0.031% 1.54% 709 0.7 803 880641 10369127 10269329 1-0 20: 73 147 233 245 133 75 189 148 190 175 191 74 55 335 149 101 234 265 59 217 1.000 13.62 -4.3 100 99 99 99 350 19.7 0.060 -0.070 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1142 Erythritol/Threitol 13.7131 1488.9 3.1 scans 70% 73 m/z 3.9% 0.0113% 725 1.0 69 6978 0.867% 75815 75815 5805149 0-0 10: 73 217 205 204 103 147 307 189 117 218 0.908 13.89 -11.2 81 78 78 90 320 6.6 0.893 -0.177 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.7500 1491.2 3.0 scans 80% TIC 3.0% 0.0210% 728 1.3 94 9255 1.34% 140886 140886 8972203 0-0 0.974 13.81 -3.6 96 95 91 96 243 37.6 15.839 -0.056 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0204 1508.7 2.6 scans 24% 232 m/z (156) 0.83% 0.0402% 754 1.2 127 33526 269516 257953 1-1 16: 232 233 218 100 234 202 188 216 130 334 220 221 292 189 204 203 0.728 14.02 0.2 92 93 91 98 258 6.2 0.000 0.003 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0393 1510.0 3.4 scans 90% TIC 0.12% 0.346% 756 0.7 337 224756 2319271 2299051 0-1 0.956 14.03 0.7 99 99 99 100 258 65.6 3.787 0.009 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0404 1510.0 3.0 scans 92% 156 m/z 0.11% 0.321% 756 0.8 340 238898 2149997 2028242 1-1 20: 156 73 147 157 258 230 158 75 74 59 140 72 259 231 58 133 121 112 86 55 0.990 14.11 -4.7 99 97 96 99 273 14.6 0.183 -0.070 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1032 GABA 14.1898 1519.9 2.6 scans 95% 174 m/z 0.22% 0.208% 770 1.3 294 121997 1397146 1373575 0-6 20: 174 73 304 147 175 75 305 86 176 59 216 143 172 246 100 130 306 133 148 74 0.999 14.19 0.1 100 99 99 99 304 84.2 8.220 0.002 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6107 1547.9 2.6 scans 86% TIC 1.4% 0.0358% 810 1.4 120 19350 239750 229743 0-2 0.968 14.69 -5.3 89 87 79 93 409 8.6 0.506 -0.081 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6107 1547.9 2.5 scans 82% 73 m/z 1.4% 0.0318% 810 1.4 118 19483 213193 210139 0-1 19: 73 292 147 293 220 205 117 103 294 221 291 74 148 133 149 319 206 102 409 0.920 14.62 -0.7 92 92 86 93 409 8.7 0.547 -0.010 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3788 1598.8 2.7 scans 81% TIC 1.1% 0.0283% 883 0.9 122 24324 0.0570% 189982 189982 381653 0-0 0.989 15.44 -4.2 86 83 86 92 393 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1036 Glutamic acic 15.5029 1607.4 2.5 scans 63% 246 m/z 4.2% 0.00717% 895 1.1 57 6498 48024 48024 0-0 6: 246 247 128 248 230 348 0.941 15.50 -0.0 97 96 92 99 363 6.3 1.215 -0.000 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1118 Phenylalanine 15.6081 1614.7 >3 scans 84% TIC 1.1% 0.0545% 905 1.1 138 24408 0.160% 365360 363533 1071308 2-0 0.997 15.66 -3.5 95 94 92 97 294 9.7 0.492 -0.051 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1038 Xylose 15.8901 1634.2 5.7 scans 65% 73 m/z 2.6% 0.0230% 932 1.3 88 10401 0.0324% 154645 154645 216940 0-0 14: 73 103 217 307 218 308 189 160 104 277 219 89 233 309 0.976 15.89 0.0 89 87 83 94 307 25.3 8.230 0.000 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1040 Xylose 16.0059 1642.3 2.6 scans 93% 73 m/z 0.46% 0.111% 943 1.1 218 60538 744244 721635 1-1 20: 73 103 307 217 147 308 160 189 277 218 204 205 133 74 104 75 117 309 129 89 0.996 16.00 0.2 96 94 96 99 307 58.8 7.294 0.002 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1042 Ribose 16.1037 1649.1 2.7 scans 87% 73 m/z 1.1% 0.0446% 952 1.0 136 25033 0.191% 298859 281952 1278874 2-4 20: 73 103 217 307 147 308 189 160 218 277 74 89 309 205 133 104 233 129 117 219 0.993 16.10 0.1 97 95 96 99 307 38.5 7.969 0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.2268 1657.6 2.8 scans 44% 290 m/z 4.6% 0.00493% 964 1.7 40 6031 0.00571% 33065 30797 38232 1-2 4: 290 291 292 158 0.949 16.28 -3.5 91 91 59 93 392 7.9 3.913 -0.049 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1108 Ribose 16.3184 1664.0 2.7 scans 93% TIC 0.40% 0.159% 972 0.9 235 69547 1068242 993341 9-0 0.997 16.38 -3.9 95 93 95 98 467 5.9 0.063 -0.057 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6141 1684.5 2.7 scans 86% 73 m/z 1.3% 0.0453% 1001 1.3 133 20133 0.0608% 303778 276547 407097 1-0 20: 73 319 307 147 103 217 308 320 205 306 129 309 74 321 117 189 277 317 218 219 0.994 16.68 -4.3 99 98 97 98 497 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9287 1706.7 4.8 scans 68% TIC 3.3% 0.0188% 1030 2.0 84 8274 0.174% 126052 126052 1165047 0-0 0.980 16.99 -4.4 91 91 88 91 422 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9970 1711.7 3.3 scans 87% TIC 1.0% 0.0693% 1037 1.4 153 26955 0.224% 464129 456886 1499831 0-1 0.991 17.06 -4.8 95 94 94 95 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1096 Putrescine 17.1886 1725.7 2.8 scans 56% 174 m/z 1.9% 0.0123% 1055 1.2 69 14203 82359 82252 1-0 10: 174 175 214 176 86 200 172 361 130 100 1.000 17.25 -4.3 96 95 94 97 458 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1044 Putrescine 17.1886 1725.7 2.8 scans 66% 174 m/z (73) 1.9% 0.0143% 1055 1.2 75 14177 96310 96184 1-0 10: 174 175 214 176 86 200 172 361 130 100 0.982 17.19 0.1 89 90 89 96 376 5.1 0.469 0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3769 1739.4 2.8 scans 37% 292 m/z 9.8% 0.00711% 1073 1.0 53 2834 47661 47661 0-1 5: 292 333 307 334 293 0.629 17.44 -4.9 89 92 55 90 511 2.9 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5652 1753.2 2.7 scans 92% 217 m/z 0.21% 0.182% 1091 1.0 276 131409 0.278% 1220243 1162415 1861397 3-1 20: 217 73 218 147 219 74 75 133 129 191 230 189 148 103 215 149 244 451 169 220 0.998 17.63 -4.8 97 95 96 97 450 32.9 1.426 -0.067 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6989 1762.9 4.7 scans 79% TIC 0.44% 0.197% 1104 0.7 223 62019 0.268% 1320939 1243809 1794441 1-0 0.912 17.70 0.0 97 98 94 98 375 23.7 1.129 -0.000 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1324 1794.6 3.3 scans 84% TIC 0.43% 0.126% 1145 1.0 205 63643 0.338% 847251 776107 2263138 3-1 0.953 18.13 0.6 97 96 95 99 372 22.7 1.227 0.007 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1082 Citric acid 18.2492 1803.2 3.4 scans 83% TIC 0.44% 0.161% 1156 1.3 233 62856 0.334% 1083459 1071941 2236355 0-1 0.970 18.32 -5.5 98 97 95 98 465 33.9 2.111 -0.072 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1076 Pregnane?? 18.8237 1847.0 4.7 scans 96% 345 m/z 0.0094% 9.25% 1211 0.3 1496 2956523 61989722 58523114 1-1 20: 345 73 255 346 147 347 191 334 204 256 133 435 372 74 419 257 239 148 75 348 1.000 18.86 -2.7 100 100 99 100 537 107.9 0.523 -0.034 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1074 Adenine 18.8815 1851.5 3.2 scans 43% 264 m/z 1.7% 0.0129% 1216 1.5 70 15743 0.251% 86796 86796 1680614 0-0 8: 264 279 265 266 84 280 165 124 0.983 18.94 -4.4 92 92 81 92 415 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1072 Fructose 19.0183 1861.9 8.3 scans 98% 73 m/z 0.012% 16.4% 1229 0.6 1524 2177417 110334346 108554532 1-0 20: 73 307 217 103 147 308 218 277 309 133 364 205 189 74 117 219 104 89 191 75 0.997 19.03 -1.1 100 98 99 100 364 175.4 1.331 -0.015 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1050 Fructose 19.0362 1863.3 >3 scans 95% 131 m/z 0.014% 5.64% 1231 1.0 1460 1862819 15.5% 37765671 37765671 103782947 0-0 20: 131 163 100 118 554 132 58 293 128 265 555 233 304 208 274 70 492 223 570 160 0.999 18.98 4.3 100 99 99 99 364 173.1 1.410 0.056 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1052 Fructose 19.1562 1872.4 6.2 scans 99% 554 m/z 0.013% 11.6% 1242 0.3 1483 2016745 78336472 76279172 1-1 20: 554 366 264 245 192 318 302 300 556 523 268 332 358 280 200 232 275 215 351 367 0.998 19.10 4.0 100 99 99 99 364 175.7 1.409 0.052 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1066 Glucose 19.3677 1888.5 >5 scans 47% 321 m/z (322) 0.013% 6.38% 1262 0.3 1099 2085275 7.70% 42741390 40200272 51556690 1-0 16: 321 307 364 277 216 308 323 464 374 279 87 377 555 468 351 379 0.896 19.40 -2.4 84 87 70 87 319 594.0 29.252 -0.031 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1064 Mannose 19.3719 1888.9 7.0 scans 95% 322 m/z 0.011% 15.1% 1263 0.2 1575 2346064 101112591 101112591 0-0 19: 322 307 466 390 279 359 367 420 554 236 280 468 556 525 287 479 482 410 417 0.998 19.45 -6.3 100 99 99 100 319 630.0 16.076 -0.083 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN BRA4_R~2-N1004 Galactose 19.3813 1889.6 6.7 scans 77% 319 m/z (322) 0.011% 12.2% 1264 0.2 1473 2439715 82065327 82002796 1-0 20: 319 73 205 147 160 320 217 103 206 117 133 129 157 229 204 189 74 148 207 161 0.964 19.36 1.5 90 95 91 93 364 27.6 0.000 0.020 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1059 Glucose 19.5834 1905.3 2.8 scans 96% TIC 0.020% 4.04% 1283 0.4 1216 1388653 27094642 25056617 2-1 0.999 19.55 2.6 100 99 99 99 376 50.2 0.171 0.031 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7254 1916.7 3.0 scans 69% 319 m/z 2.4% 0.0192% 1296 1.1 101 11567 0.104% 128806 117174 696350 1-0 15: 319 73 205 147 320 217 321 103 117 307 206 204 218 74 291 0.987 19.79 -5.2 90 89 85 91 434 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7854 1921.5 3.4 scans 73% TIC 1.5% 0.0279% 1302 1.4 119 18144 0.155% 187261 187261 1037829 0-0 0.978 19.79 -0.7 94 94 89 94 333 53.0 19.888 -0.009 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2894 1962.0 2.6 scans 45% 204 m/z 1.4% 0.0264% 1350 1.3 104 18855 176888 168935 1-3 7: 204 191 205 192 206 193 291 0.551 20.41 -10.0 81 80 64 88 217 34.7 0.000 -0.125 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2946 1962.4 3.3 scans 73% TIC 1.1% 0.0520% 1350 1.5 131 23975 348553 340043 0-3 0.860 20.30 -0.1 85 86 87 85 433 12.2 0.858 -0.001 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN WTF2-N1038 C16:0 21.1459 2032.3 3.0 scans 81% 313 m/z 5.0% 0.0172% 1431 1.8 77 5524 0.0176% 115577 113445 117844 0-2 9: 313 117 132 145 314 129 55 328 57 0.964 20.62 44.0 80 84 84 94 328 9.0 1.378 0.529 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6898 2078.0 4.0 scans 97% 305 m/z 0.014% 8.97% 1483 0.4 1575 1886105 60114298 60105698 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 367 133 129 291 148 0.997 21.75 -4.9 100 100 99 100 507 123.6 0.618 -0.059 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8582 2092.1 3.1 scans 95% 73 m/z 0.21% 0.361% 1499 1.1 352 129867 2420595 2352333 1-2 20: 73 319 205 147 320 217 103 321 262 204 206 117 74 133 229 148 89 157 291 129 0.998 21.93 -6.0 97 94 97 99 656 8.2 0.055 -0.072 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1907 2120.8 2.6 scans 96% 396 m/z 0.32% 0.239% 1531 1.2 310 86142 0.279% 1605758 1605758 1868093 0-0 20: 396 73 219 397 381 319 398 191 220 307 205 147 382 249 293 74 75 103 320 221 0.999 22.19 0.3 95 91 89 100 396 119.7 14.922 0.005 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6621 2162.0 3.2 scans 93% 204 m/z 0.78% 0.0644% 1575 1.6 146 35425 0.0775% 431682 421746 518915 1-0 20: 204 73 205 147 217 249 131 191 117 361 74 129 218 103 231 75 219 149 148 305 0.991 22.71 -4.5 97 95 96 99 518 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1183 2293.4 2.7 scans 86% 204 m/z 2.9% 0.0166% 1714 1.5 77 9566 0.0317% 111675 97679 212253 3-4 8: 204 73 337 205 103 147 217 129 0.996 24.01 9.9 91 90 91 93 490 0.0 0.000 0.108 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6465 2343.3 3.2 scans 94% 73 m/z 0.65% 0.143% 1764 0.6 202 42356 960598 919048 2-2 20: 73 147 331 191 217 421 262 307 205 103 319 422 332 333 305 204 148 74 117 376 0.998 24.65 -0.3 99 98 97 98 466 12.1 0.357 -0.003 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7433 2352.5 2.7 scans 83% 73 m/z 4.7% 0.0116% 1773 1.3 72 5926 0.106% 77823 77214 709741 1-0 11: 73 375 204 217 147 292 305 103 205 218 219 0.990 24.81 -5.9 85 85 83 85 451 8.2 1.270 -0.062 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5289 2528.5 3.3 scans 83% TIC 2.7% 0.0321% 1943 1.3 101 10290 0.0553% 215012 204003 370271 1-2 0.944 26.57 -4.6 95 95 86 95 512 35.7 12.491 -0.044 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1020 Sucrose 27.4043 2619.6 7.8 scans 9.9% 437 m/z (361) 0.050% 1.62% 2026 1.1 491 547362 10899001 10881118 1-0 18: 437 451 438 452 453 303 258 111 54 322 172 288 140 349 406 405 266 179 0.834 27.46 -6.0 92 95 92 98 437 304.3 38.453 -0.057 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1010 Sucrose 27.4043 2619.6 7.8 scans 100% 437 m/z 0.0086% 16.2% 2026 1.1 1572 3234194 108540295 108362206 1-0 18: 437 451 438 452 453 303 258 111 54 322 172 288 140 349 406 405 266 179 0.997 27.58 -18.6 100 99 98 99 437 305.4 3.802 -0.175 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1018 Sucrose 27.4149 2620.7 7.7 scans 49% 362 m/z (73) 0.0086% 8.27% 2027 0.2 1106 3234194 55438323 55022351 1-0 20: 362 320 331 321 345 244 221 332 291 259 306 293 183 134 232 190 241 233 193 199 0.873 27.47 -5.8 91 94 56 92 437 306.2 7.739 -0.055 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1016 Sucrose 27.4149 2620.7 7.7 scans 56% 362 m/z (361) 0.018% 9.48% 2027 0.2 1183 1544066 63480067 63003756 1-0 20: 362 320 331 321 345 244 221 332 291 259 306 293 183 134 232 190 241 233 193 199 0.928 27.48 -6.6 80 76 90 95 437 17.4 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1014 Sucrose 27.4170 2620.9 7.9 scans 89% TIC 0.0086% 12.9% 2027 0.5 1490 3219895 15.3% 86726959 83432915 102443813 1-0 1.000 27.49 -7.8 100 100 99 100 437 303.4 4.177 -0.073 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1008 Sucrose 27.4412 2623.5 7.6 scans 99% 73 m/z 0.0091% 15.8% 2030 0.2 1568 3066244 105880751 102941340 1-1 20: 73 217 147 271 103 169 129 218 243 319 191 74 133 189 219 331 230 149 272 75 1.000 27.59 -16.0 100 99 97 99 437 285.1 3.324 -0.150 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN LQC1-N1006 Trehalose 28.3892 2726.0 10.7 scans 43% 361 m/z (204) 9.8% 0.00498% 2120 0.6 30 2840 0.00767% 33359 33359 51356 0-0 3: 361 362 191 0.900 28.47 -8.9 81 85 48 84 565 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel polar\N44_REP6.FIN GUA35_L1-N1020 Galactinol 30.6588 2985.8 3.6 scans 92% 204 m/z 2.4% 0.0226% 2335 1.2 81 11538 151617 134214 6-8 15: 204 73 191 205 217 147 361 206 129 218 433 306 148 192 219 0.996 30.55 13.4 82 81 88 82 641 0.0 0.000 0.114 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1194 Alanine 7.2779 1102.0 3.8 scans 73% 116 m/z 2.1% 0.0265% 113 0.6 68 11071 0.0446% 145908 119110 245225 3-4 7: 116 73 147 117 190 118 148 0.983 7.40 -7.5 94 94 93 94 283 0.0 0.000 -0.126 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN A-KETO~2-N1006 Contamination?? 7.7935 1132.6 2.8 scans 63% 156 m/z 5.0% 0.00812% 162 1.7 47 4700 0.0135% 44676 43244 74227 2-0 3: 156 55 157 0.954 7.96 -9.6 93 93 87 97 156 27.1 32.638 -0.164 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1192 Contamination 7.8777 1137.6 2.7 scans 78% 73 m/z 2.7% 0.0179% 170 1.0 81 8584 0.0311% 98891 98891 170998 0-0 17: 73 147 133 220 235 72 59 148 146 86 149 100 103 74 89 131 134 0.986 7.99 -6.6 98 98 95 97 235 15.7 3.740 -0.111 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1188 Contamination 8.3185 1163.7 4.3 scans 87% 281 m/z 2.0% 0.0436% 212 1.0 85 11793 0.0600% 240034 240034 329899 0-0 17: 281 369 147 282 265 73 283 371 370 249 191 207 284 266 251 193 74 0.992 8.41 -5.7 99 98 87 99 369 26.3 9.472 -0.096 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1190 Contamination 8.3838 1167.6 3.2 scans 52% 73 m/z 4.7% 0.00961% 218 1.3 52 4994 0.0254% 52867 52867 139657 0-0 9: 73 140 198 211 77 70 126 69 186 0.966 8.48 -5.9 91 92 87 92 309 6.1 1.407 -0.100 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1186 Phosphate 8.4753 1173.0 2.6 scans 91% 241 m/z 0.52% 0.0625% 227 1.6 136 45125 0.0738% 343920 321039 405776 2-8 20: 241 242 133 211 243 163 256 73 195 135 98 59 119 121 89 181 257 137 165 212 0.998 8.56 -5.0 100 99 98 99 299 0.0 0.000 -0.086 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1184 Valine 9.1035 1210.1 2.9 scans 77% 144 m/z 2.4% 0.0150% 287 1.2 62 9540 82853 72087 1-4 7: 144 73 218 145 147 219 100 0.975 9.19 -4.9 95 94 90 96 218 18.9 9.407 -0.085 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1180 Benzoic acid 9.6780 1243.7 3.1 scans 80% 179 m/z 3.4% 0.0219% 341 2.4 62 6884 120445 98306 1-9 8: 179 105 135 77 180 136 194 106 0.967 9.76 -4.8 98 98 93 98 194 9.8 2.503 -0.081 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1178 Ethanolamine 9.9589 1260.1 3.2 scans 93% 174 m/z 0.58% 0.0712% 368 0.9 132 40377 0.394% 391519 378425 2166338 1-0 19: 174 73 175 100 147 176 86 59 133 130 262 131 74 148 114 188 172 134 101 0.998 10.03 -4.4 100 99 98 99 262 14.1 1.150 -0.075 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN VEN77_S6-N1002 Glycerol 10.0452 1265.2 2.9 scans 93% TIC 0.022% 1.65% 376 1.2 656 1074402 9083150 8720531 1-4 0.962 10.09 -2.8 100 100 98 100 299 410.1 39.315 -0.049 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LACTIC~1-N1034 Glycerol 10.0568 1265.9 3.2 scans 4.3% 205 m/z (299) 0.84% 0.0815% 377 1.3 129 28074 0.0920% 448552 390665 505845 2-4 9: 205 117 206 204 175 129 203 217 219 0.576 10.11 -3.1 88 98 58 94 293 11.7 0.814 -0.053 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2051 1274.6 2.9 scans 85% 73 m/z 1.4% 0.0286% 391 1.7 86 16458 0.289% 157610 151111 1589014 2-4 13: 73 198 77 211 74 70 199 239 289 212 381 72 170 0.989 10.24 -2.0 96 96 92 96 381 10.0 1.364 -0.035 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1176 Isoleucine 10.3892 1285.3 2.8 scans 75% 158 m/z 2.2% 0.0163% 409 1.6 66 10501 0.0167% 89681 78218 91822 1-1 6: 158 218 159 219 232 160 0.958 10.46 -4.1 96 95 92 98 260 5.0 0.578 -0.070 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1174 Proline 10.4724 1290.2 3.1 scans 75% TIC 1.0% 0.0205% 417 0.6 79 21779 1.27% 112998 112998 6982866 0-0 0.961 10.55 -4.2 96 96 91 95 142 58.4 54.680 -0.073 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5597 1295.3 2.7 scans 96% 147 m/z 0.094% 0.390% 425 1.4 331 252352 1.32% 2146572 1950272 7257781 1-5 20: 147 73 148 245 75 149 83 74 133 115 246 143 84 59 170 58 126 66 155 72 1.000 10.60 -2.5 99 98 98 99 245 75.3 5.182 -0.042 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1170 Glycine 10.6186 1298.7 3.1 scans 22% 174 m/z 5.0% 0.00511% 431 1.4 37 4724 0.0147% 28136 28136 80825 0-0 5: 174 248 175 86 276 0.975 10.69 -4.1 81 81 60 85 276 7.8 4.521 -0.068 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7049 1303.9 2.7 scans 97% 147 m/z 0.030% 1.16% 439 1.0 578 773515 6420121 6070349 1-3 20: 147 73 251 76 148 149 58 132 74 133 252 177 75 176 150 59 118 253 72 62 0.997 10.76 -3.2 99 97 96 99 251 140.2 5.896 -0.053 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1168 Glyceric acid 10.9911 1321.1 2.7 scans 97% 73 m/z 0.12% 0.526% 466 1.4 394 194169 2892539 2771608 1-2 20: 73 147 292 189 133 103 205 293 102 117 190 148 307 74 75 294 149 59 101 191 1.000 11.05 -3.8 100 100 99 100 292 120.6 9.376 -0.063 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN TAB_REP6-N1018 Uracil 11.1068 1328.1 2.6 scans 56% TIC 15% 0.00196% 477 2.3 29 1552 0.314% 10787 10787 1726472 0-0 0.942 11.15 -2.5 92 94 92 97 256 10.2 12.659 -0.041 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1164 Itaconic acid 11.1910 1333.2 3.1 scans 73% 147 m/z 4.5% 0.00798% 485 1.3 45 5188 43892 38601 1-1 4: 147 73 148 259 0.973 11.25 -3.7 86 85 82 87 259 10.2 5.144 -0.061 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1162 Fumaric acid 11.3373 1342.0 2.8 scans 96% 245 m/z 0.13% 0.300% 499 1.5 291 174700 1653797 1570075 1-2 20: 245 147 73 246 75 143 247 83 133 148 149 115 84 74 155 53 157 248 61 127 1.000 11.39 -3.3 100 99 99 99 245 165.4 32.295 -0.056 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4320 1347.7 3.0 scans 82% 57 m/z 2.6% 0.0163% 508 1.3 70 8873 0.0455% 90027 89793 250174 1-0 15: 57 97 145 115 127 56 55 69 111 129 59 109 128 83 71 0.995 11.45 -0.8 95 94 96 98 145 20.5 8.727 -0.014 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1160 Serine 11.4856 1350.9 2.7 scans 94% 204 m/z 0.41% 0.135% 513 1.5 200 56570 746223 719301 3-1 19: 204 73 218 205 147 219 100 278 188 206 133 306 74 220 59 116 189 280 103 0.996 11.56 -4.3 100 99 98 99 306 21.0 1.103 -0.071 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN BRA4_R~2-N1008 Thymine 11.5709 1356.0 3.3 scans 43% 255 m/z 17% 0.00180% 521 2.4 21 1357 9934 9934 0-0 2: 255 270 0.839 11.58 -0.8 90 93 75 95 270 8.3 15.582 -0.013 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7077 1364.3 2.9 scans 88% TIC 1.5% 0.0399% 534 1.2 101 15330 219890 194312 3-2 0.981 11.79 -4.6 97 96 94 97 262 12.6 1.545 -0.077 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN TAB_REP6-N1024 Threonine 11.8991 1375.8 2.9 scans 93% 73 m/z 0.86% 0.0841% 552 1.5 150 27582 462894 460195 0-4 20: 73 218 219 117 291 292 101 220 147 57 100 203 221 74 132 128 202 75 133 320 0.993 11.92 -1.3 100 99 98 99 320 13.9 0.863 -0.022 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2702 1461.0 3.0 scans 56% 247 m/z (155) 6.0% 0.0117% 683 1.3 56 3903 64602 60149 1-1 9: 247 248 115 321 259 69 233 349 203 0.962 13.31 -2.3 87 90 83 90 349 8.2 2.150 -0.036 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1148 Glutamine?? 13.3049 1463.2 2.7 scans 82% 155 m/z (247) 1.0% 0.0334% 686 0.9 101 23197 0.0373% 184171 181136 205087 0-1 8: 155 229 156 139 157 59 100 84 0.996 13.35 -2.7 95 95 95 97 257 8.0 0.626 -0.042 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1146 Malic acid 13.6163 1482.8 6.4 scans 98% 73 m/z 0.0080% 15.5% 716 0.2 1469 2937494 85364806 85339427 1-0 20: 73 147 233 245 189 133 190 148 191 175 75 335 234 101 74 149 217 265 55 307 1.000 13.62 0.0 100 99 100 100 350 39.8 0.074 -0.001 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1144 Contamination Parabanica acid 13.7857 1493.5 >4 scans 52% TIC 19% 0.00348% 732 1.1 39 1230 8.40% 19153 19153 46185882 0-0 0.935 13.81 -1.3 83 86 74 86 243 13.0 11.075 -0.020 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1142 Erythritol/Threitol 13.8383 1496.8 2.8 scans 84% TIC 1.7% 0.0301% 737 1.4 104 13798 0.0578% 165699 165699 317803 0-0 0.991 13.89 -3.3 93 90 93 98 320 9.6 0.852 -0.052 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN TAB_REP6-N1028 Aspartic acid 14.0277 1509.2 2.4 scans 49% 232 m/z 0.31% 0.0899% 755 1.1 170 76176 494753 462786 1-2 17: 232 233 218 100 234 202 188 216 219 306 334 292 130 204 174 220 203 0.907 14.02 0.7 94 93 83 97 258 4.4 0.000 0.011 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1140 Aspartic acid 14.0351 1509.7 >2 scans 81% TIC 0.31% 0.160% 755 0.7 219 75738 0.401% 884630 840052 2204826 1-0 1.000 14.09 -3.4 100 99 98 99 349 12.0 0.301 -0.052 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0604 1511.4 2.8 scans 90% 156 m/z 0.10% 0.320% 758 0.7 304 231189 1763807 1700166 1-1 15: 156 147 157 258 230 158 231 259 148 305 58 140 121 112 155 0.991 14.11 -3.3 98 96 98 99 273 13.0 0.184 -0.050 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1134 GABA 14.1929 1520.2 3.0 scans 89% TIC 0.88% 0.0603% 770 1.2 128 26794 0.559% 331781 330661 3073560 2-0 0.994 14.24 -3.2 98 96 95 98 304 40.2 9.877 -0.049 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6107 1547.9 2.5 scans 97% 73 m/z 0.14% 0.384% 810 1.1 358 164169 2116502 2054772 1-1 20: 73 292 147 205 220 293 217 117 103 221 148 294 74 133 319 291 149 75 102 206 1.000 14.69 -5.3 100 99 99 99 409 26.7 0.554 -0.081 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3840 1599.1 2.7 scans 73% 217 m/z 1.4% 0.0156% 884 1.2 78 15848 0.0354% 85999 85999 194641 0-0 7: 217 73 218 219 147 215 103 0.970 15.44 -3.9 94 94 90 94 393 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1120 Glutamic acid 15.5050 1607.5 2.5 scans 86% 246 m/z 1.3% 0.0273% 895 1.0 99 18038 0.0459% 150292 149390 252373 1-0 19: 246 73 128 247 348 248 147 156 230 75 56 84 363 100 149 218 74 133 129 0.987 15.56 -3.8 97 97 92 96 363 10.9 1.224 -0.055 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1118 Phenylalanine 15.6081 1614.7 2.6 scans 90% 218 m/z (267) 2.0% 0.0320% 905 1.1 100 11611 176224 165587 1-2 8: 218 192 219 266 100 91 220 65 0.991 15.66 -3.5 93 93 92 98 294 6.6 0.440 -0.051 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN TAB_REP6-N1040 Xylose 16.0101 1642.6 2.5 scans 95% 73 m/z 0.20% 0.278% 943 1.0 304 115618 1531170 1456928 1-1 20: 73 103 307 217 147 189 308 160 218 277 133 74 309 205 104 75 105 117 89 204 0.994 16.00 0.5 94 91 94 98 307 89.2 8.586 0.006 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN TAB_REP6-N1042 Ribose 16.1069 1649.3 2.7 scans 83% 73 m/z 1.9% 0.0286% 952 0.8 92 12209 0.320% 157417 155750 1759462 1-0 18: 73 103 307 217 147 189 160 308 277 218 309 74 89 104 133 117 205 204 0.983 16.10 0.3 96 96 94 97 307 27.2 8.724 0.004 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.2300 1657.8 2.8 scans 43% 290 m/z 5.4% 0.00415% 964 2.0 33 4374 22840 22840 0-1 2: 290 291 0.982 16.28 -3.3 83 85 55 92 392 5.8 3.037 -0.046 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1108 Ribose 16.3226 1664.3 3.2 scans 84% TIC 1.5% 0.0475% 973 0.7 107 15189 0.0633% 261325 254715 348044 1-2 0.987 16.38 -3.6 93 92 91 95 467 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6172 1684.7 2.6 scans 89% TIC 1.0% 0.0602% 1001 1.4 143 21678 0.108% 331307 330057 593818 1-0 0.995 16.68 -4.1 99 99 98 99 497 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9265 1706.5 2.9 scans 71% 217 m/z (117) 3.8% 0.0170% 1030 1.1 70 6107 0.0991% 93995 93995 544883 0-0 8: 217 319 307 318 205 103 320 218 0.969 16.99 -4.6 86 88 84 89 422 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0002 1711.9 5.3 scans 77% TIC 2.1% 0.0322% 1037 1.7 112 10789 0.275% 177318 177318 1512038 0-0 0.996 17.06 -4.6 94 93 89 94 510 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1096 Putrescine 17.1906 1725.8 2.8 scans 67% 174 m/z 0.88% 0.0310% 1055 1.2 94 26803 170549 169495 0-1 14: 174 175 176 214 172 200 361 130 173 99 126 215 362 376 0.995 17.25 -4.2 98 97 96 98 458 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5705 1753.5 2.9 scans 88% TIC 0.41% 0.103% 1091 1.3 171 57612 0.339% 571687 571687 1863930 0-0 0.984 17.63 -4.5 96 96 93 96 450 26.0 2.301 -0.062 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7031 1763.2 2.7 scans 64% 334 m/z (217) 0.98% 0.0804% 1104 1.0 152 24000 442115 398140 1-12 15: 334 204 256 335 375 255 336 285 167 211 166 267 151 254 376 0.966 17.70 0.3 88 90 87 90 375 18.8 1.529 0.004 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1086 Fructofuranose 18.0692 1789.9 3.3 scans 86% TIC 0.38% 0.174% 1139 1.4 207 61323 0.768% 959964 889687 4222709 2-0 0.977 18.13 -4.7 95 94 91 97 437 60.3 8.454 -0.065 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN TAB_REP6-N1046 Shikimic acid 18.1324 1794.6 3.3 scans 68% TIC 0.32% 0.0789% 1145 0.9 195 73152 0.606% 434359 434359 3331981 0-0 0.951 18.13 0.6 94 93 91 97 372 25.0 1.653 0.007 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1084 Shikimic acid 18.1334 1794.6 2.6 scans 54% 204 m/z 0.31% 0.102% 1145 1.1 174 75577 563234 492872 5-3 15: 204 205 206 255 357 372 254 462 358 447 331 256 282 283 463 0.801 18.20 -4.6 94 92 81 99 462 18.1 1.093 -0.064 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1082 Citric acid 18.2555 1803.7 2.8 scans 93% TIC 0.22% 0.357% 1157 1.1 318 104201 0.791% 1964330 1909706 4349171 1-1 0.992 18.32 -5.0 99 97 96 99 465 49.4 2.412 -0.066 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1076 Pregnane?? 18.7984 1845.1 3.0 scans 97% 345 m/z 0.016% 3.66% 1208 0.7 1005 1454216 20125441 19120733 1-1 20: 345 73 346 255 147 347 334 204 256 191 435 419 372 133 148 257 74 239 348 75 1.000 18.86 -4.6 100 99 99 100 537 79.6 0.631 -0.060 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1074 Adenine 18.8878 1851.9 3.2 scans 35% 264 m/z 3.5% 0.00815% 1217 1.3 45 6690 0.0671% 44826 44826 368937 0-0 4: 264 279 265 266 0.981 18.94 -4.0 88 87 80 92 415 3.6 0.661 -0.051 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1072 Fructose 19.0025 1860.7 4.8 scans 96% 73 m/z 0.013% 9.73% 1228 0.4 1315 1717677 53552228 50286232 1-1 20: 73 307 217 103 147 308 218 277 133 309 364 205 189 74 117 104 219 148 191 89 1.000 19.03 -2.3 100 98 99 100 364 154.1 1.377 -0.030 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN TAB_REP6-N1052 Fructose 19.1246 1870.0 4.3 scans 97% 73 m/z 0.016% 7.59% 1239 0.4 1217 1457024 41755102 39598405 2-4 20: 73 217 103 147 308 277 218 309 364 205 133 74 262 219 117 189 89 148 104 191 1.000 19.10 1.6 100 99 100 100 364 145.9 1.443 0.021 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN TAB_REP6-N1054 Galactose 19.2403 1878.8 3.5 scans 59% 73 m/z (204) 0.36% 0.149% 1250 0.9 206 65474 22.1% 821819 821819 121512857 0-0 20: 73 191 205 147 217 206 192 74 133 218 231 189 117 193 103 148 305 203 75 317 0.985 19.22 1.8 82 82 85 91 376 0.0 0.000 0.024 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1068 Galactopyranose 19.2435 1879.1 3.3 scans 55% 204 m/z 0.31% 0.145% 1250 1.1 198 76504 3.11% 801261 794785 17099773 1-0 13: 204 191 192 129 218 231 193 203 317 219 435 436 169 0.915 19.32 -5.4 96 97 89 97 435 14.8 0.559 -0.072 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1064 Mannose 19.3445 1886.8 5.1 scans 99% 73 m/z 0.010% 12.2% 1260 0.3 1445 2175504 12.3% 67139912 67008844 67629327 1-0 20: 73 205 147 160 321 103 206 117 133 157 204 189 129 74 148 207 161 218 75 231 0.996 19.45 -8.4 100 99 99 100 319 583.5 16.379 -0.111 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1066 Glucose 19.3498 1887.2 5.1 scans 42% 319 m/z (73) 0.010% 4.94% 1261 0.2 916 2175504 27170028 27155680 1-0 20: 319 320 217 229 291 307 364 305 277 274 365 292 300 374 143 376 269 246 464 203 0.912 19.40 -3.7 85 88 59 90 319 583.5 40.873 -0.049 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5139 1899.7 2.9 scans 28% 174 m/z 0.53% 0.0397% 1276 1.4 106 44378 0.0511% 218558 213513 280964 1-0 9: 174 175 338 86 176 339 179 264 250 0.981 19.49 1.9 81 80 58 82 338 28.2 7.146 0.024 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1062 Glucose 19.5623 1903.6 2.7 scans 98% TIC 0.029% 2.70% 1281 0.6 874 817996 14874598 14770265 2-0 0.995 19.66 -7.5 100 99 98 99 319 332.8 14.564 -0.094 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1060 Lysine 19.6212 1908.3 2.7 scans 53% 317 m/z 4.9% 0.0160% 1286 1.0 69 4814 0.110% 88006 80185 604815 0-1 12: 317 174 156 318 230 128 100 175 86 200 434 115 0.949 19.69 -5.8 91 90 74 93 479 0.0 0.000 -0.072 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7243 1916.6 2.8 scans 72% 73 m/z 1.9% 0.0262% 1296 1.4 94 12282 0.0832% 144527 131413 457460 1-0 16: 73 244 205 147 117 89 245 59 206 148 320 133 129 74 58 149 0.986 19.79 -5.3 80 80 83 80 434 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN N406_R~2-N1016 Galacturonic acid 19.7812 1921.2 2.7 scans 22% 333 m/z 7.1% 0.00367% 1302 0.9 33 3302 20179 20179 1-0 3: 333 334 335 0.908 19.79 -0.9 86 86 83 90 423 5.2 2.421 -0.012 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN BRA4_R~2-N1010 Tyrosine 19.8169 1924.0 2.6 scans 51% 218 m/z 2.4% 0.0160% 1305 1.1 71 9835 0.0193% 88315 86106 106118 4-0 7: 218 280 220 157 100 354 289 0.879 19.82 -0.1 85 84 67 96 382 7.7 1.149 -0.001 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1056 Ascorbic acid 19.9106 1931.6 2.9 scans 82% TIC 1.4% 0.0449% 1314 0.6 111 15962 0.138% 247403 247403 758768 0-0 0.991 19.99 -6.1 96 96 92 96 449 13.5 1.467 -0.075 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2925 1962.3 2.5 scans 95% 204 m/z 0.14% 0.335% 1350 1.1 334 167310 1844222 1798778 1-1 20: 204 73 191 147 217 205 206 192 218 189 74 129 103 193 133 148 75 117 291 203 0.990 20.41 -9.7 99 98 98 99 217 74.7 5.015 -0.121 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6867 2077.7 3.1 scans 98% 305 m/z 0.014% 7.50% 1483 0.4 1382 1597392 41274642 39940658 1-1 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 320 367 433 133 129 291 192 1.000 21.75 -5.2 100 100 100 100 507 110.4 0.640 -0.062 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8624 2092.5 3.1 scans 95% 319 m/z 0.28% 0.300% 1499 1.0 277 82057 1649682 1601249 1-2 20: 319 73 205 147 320 103 217 321 206 117 74 204 229 148 263 157 89 129 291 75 0.998 21.93 -5.6 97 96 97 99 656 5.9 0.046 -0.068 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1938 2121.1 2.6 scans 94% 396 m/z 0.26% 0.254% 1531 1.0 291 87891 0.310% 1399824 1332817 1704479 1-0 20: 396 73 219 397 381 319 398 191 220 307 205 147 382 320 249 75 293 74 103 399 0.999 22.19 0.6 94 90 88 100 396 117.3 16.273 0.008 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6736 2163.0 3.5 scans 76% 204 m/z 3.5% 0.0134% 1576 1.7 57 6651 0.0220% 73895 73895 120963 0-0 6: 204 217 205 249 145 361 0.986 22.71 -3.5 92 93 91 92 518 0.0 0.000 -0.040 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN BRA4_R~4-N1012 Spermidine 22.8978 2182.6 3.0 scans 69% 174 m/z 13% 0.00668% 1598 1.3 42 1762 36737 36737 0-1 5: 174 201 200 172 86 0.963 22.90 -0.2 96 98 95 99 418 7.9 3.592 -0.002 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN BRA4_R~2-N1006 Spermidine 23.5101 2237.8 2.8 scans 81% TIC 2.7% 0.0304% 1656 1.0 98 8538 0.0561% 167662 155984 308456 3-0 0.949 23.51 0.1 83 75 92 99 490 8.6 0.771 0.001 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1028 Glycerolgalactose 24.1236 2293.8 2.6 scans 89% 204 m/z 1.1% 0.0362% 1714 1.4 107 20011 0.0724% 199073 199012 398078 1-0 20: 204 73 205 337 217 147 103 206 129 338 218 191 361 133 74 219 203 131 101 148 0.992 24.01 10.3 92 90 93 95 490 0.0 0.000 0.114 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6539 2344.0 3.2 scans 93% 73 m/z 0.80% 0.126% 1765 0.7 169 29320 0.137% 696896 665480 753270 0-2 20: 73 147 331 217 191 262 421 307 205 103 259 305 422 148 376 117 192 333 74 89 0.999 24.65 0.4 98 97 96 98 466 11.0 0.423 0.004 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7454 2352.7 2.7 scans 90% 73 m/z 2.1% 0.0373% 1773 1.1 105 10965 0.148% 205632 194082 813751 1-1 20: 73 217 204 375 147 305 103 218 219 205 306 293 376 333 189 133 363 129 452 191 0.990 24.81 -5.7 92 91 89 91 451 13.4 1.633 -0.060 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3532 2510.3 2.7 scans 88% 204 m/z 1.2% 0.0361% 1926 1.0 108 18830 0.218% 198850 185203 1198634 4-2 20: 204 73 495 205 147 206 217 496 273 117 191 130 363 231 131 143 189 115 129 74 0.996 26.35 0.3 91 90 88 90 495 21.7 4.056 0.003 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4489 2520.2 2.7 scans 96% TIC 0.34% 0.218% 1935 1.1 255 68792 1198729 1155377 1-1 0.999 26.52 -7.4 98 98 97 98 740 39.0 2.331 -0.072 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5373 2529.4 2.7 scans 76% 512 m/z 3.8% 0.0207% 1944 0.9 78 6118 113918 113918 0-0 13: 512 455 513 247 456 514 57 457 219 263 484 497 409 0.980 26.57 -3.7 95 95 82 95 512 30.9 15.728 -0.036 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1020 Sucrose 27.4085 2620.0 8.2 scans 9.1% 437 m/z (361 73) 0.045% 1.59% 2026 1.1 438 523253 1.81% 8791946 8645914 9951958 1-0 9: 437 438 453 359 71 395 336 86 405 0.572 27.46 -5.6 87 95 83 96 437 286.2 42.673 -0.052 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1014 Sucrose 27.4085 2620.0 8.2 scans 75% 437 m/z 0.0090% 13.0% 2026 1.1 1262 2618743 14.8% 71975821 70780320 81375126 1-0 9: 437 438 453 359 71 395 336 86 405 1.000 27.49 -8.7 100 99 99 99 437 288.1 5.262 -0.081 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1010 Sucrose 27.4233 2621.6 8.1 scans 96% 361 m/z 0.0074% 19.9% 2028 0.7 1474 3182554 109432639 107743420 1-1 18: 361 362 364 331 365 332 306 347 222 185 455 235 275 90 374 209 162 443 0.999 27.58 -16.6 100 99 98 99 437 292.1 3.954 -0.156 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN TAB_REP6-N1070 Sucrose 27.4233 2621.6 8.1 scans 89% 361 m/z (437) 0.0079% 18.8% 2028 0.7 1426 2980518 103434568 101837937 1-1 18: 361 362 364 331 365 332 306 347 222 185 455 235 275 90 374 209 162 443 0.998 27.41 1.5 89 86 73 99 451 0.0 0.000 0.013 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1018 Sucrose 27.4275 2622.0 7.8 scans 56% 331 m/z (73) 0.0073% 11.1% 2028 0.6 1129 3214621 61381567 61295498 2-0 18: 331 272 230 157 306 255 185 322 263 373 194 90 377 209 267 178 431 264 0.896 27.47 -4.5 93 96 63 95 437 292.1 6.756 -0.043 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1016 Sucrose 27.4369 2623.0 7.8 scans 55% 271 m/z (361) 0.014% 10.8% 2029 0.3 1118 1672378 59744351 59744351 0-0 20: 271 273 291 317 293 193 201 227 150 304 303 260 335 261 57 349 294 176 249 266 0.945 27.48 -4.3 89 91 95 95 437 16.8 0.000 -0.040 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN LQC1-N1008 Sucrose 27.4422 2623.6 7.4 scans 100% 73 m/z 0.0075% 18.3% 2030 0.2 1517 3154559 101135981 100843968 1-0 20: 73 217 147 103 129 169 218 243 74 191 75 219 117 148 205 133 204 189 149 230 0.999 27.59 -15.9 100 99 97 99 437 285.5 3.562 -0.149 G:\GCMS data\Nicotiana Panel polar\N444_REP1.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6668 3105.6 3.6 scans 73% 204 m/z 3.0% 0.0215% 2431 1.3 70 7864 0.0770% 118627 112299 423371 4-2 12: 204 217 597 205 129 103 337 361 598 599 218 243 0.921 31.68 -1.0 83 83 82 90 597 13.0 3.410 -0.008 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN EXBLK5S-N1006 Contamination 6.5909 1061.3 2.9 scans 65% 207 m/z 0.70% 0.0762% 48 1.5 127 39628 0.105% 621133 321427 855386 8-21 15: 207 295 208 209 191 296 297 279 193 177 192 298 189 263 280 0.983 6.63 -2.0 99 98 95 98 295 39.2 9.494 -0.034 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.7982 1073.6 >7 scans 23% 117 m/z 9.3% 0.00638% 68 0.5 35 2968 0.0140% 51975 41104 114051 0-4 2: 117 147 0.829 6.82 -1.3 90 92 88 93 295 2.9 0.000 -0.023 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1194 Alanine 7.4074 1109.7 8.8 scans 75% 116 m/z 0.72% 0.0878% 126 0.3 113 38546 0.137% 715551 715551 1116075 0-0 5: 116 147 73 218 117 0.964 7.40 0.2 97 97 94 97 283 3.2 0.081 0.003 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN A-KETO~2-N1006 Contamination?? 7.9061 1139.2 2.7 scans 80% 156 m/z 1.7% 0.0184% 173 1.1 88 16218 0.0272% 149903 147390 221586 0-2 8: 156 75 55 157 54 76 61 158 0.986 7.96 -3.0 99 99 97 99 156 48.0 29.849 -0.051 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1192 Contamination 7.9882 1144.1 2.8 scans 78% 147 m/z 2.5% 0.0186% 181 1.1 89 10952 0.0361% 151744 149653 294090 2-0 20: 147 73 133 152 220 235 89 148 146 72 59 160 100 86 103 131 70 149 167 74 0.990 7.99 -0.1 97 97 95 97 235 16.7 3.486 -0.001 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN WTF2-N1026 Cadaverine NC 8.1829 1155.7 3.3 scans 46% 174 m/z 8.1% 0.00381% 199 1.7 35 3394 0.00525% 31040 31040 42769 0-0 3: 174 175 216 0.925 7.74 26.5 89 93 76 93 216 9.0 6.811 0.447 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1188 Contamination 8.3733 1166.9 4.9 scans 83% 281 m/z 1.7% 0.0411% 217 1.5 95 15675 0.0513% 334851 276812 417917 6-0 14: 281 147 369 73 282 283 370 249 371 207 251 266 250 205 0.993 8.41 -2.5 99 98 85 99 369 27.2 8.273 -0.042 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1190 Contamination 8.4544 1171.7 2.9 scans 67% 73 m/z 2.5% 0.0133% 225 1.2 75 11028 0.0299% 108801 106195 243581 0-2 15: 73 211 140 198 77 69 70 186 126 215 309 74 212 156 113 0.938 8.48 -1.8 92 92 90 95 309 7.9 1.104 -0.030 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1186 Phosphate 8.5438 1177.0 2.5 scans 81% 241 m/z 0.84% 0.0298% 234 1.1 112 32788 243491 235434 1-1 19: 241 242 211 163 133 243 256 195 135 89 181 137 59 121 164 165 107 257 119 0.966 8.56 -1.0 97 96 95 99 299 0.0 0.000 -0.017 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1184 Valine 9.1667 1213.8 3.6 scans 89% 144 m/z 0.42% 0.0829% 293 0.7 156 64841 0.0876% 676052 597248 713636 6-3 18: 144 73 218 145 147 219 146 59 100 74 220 133 128 132 114 101 112 149 0.995 9.19 -1.2 99 98 98 99 218 46.0 8.686 -0.021 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1178 Ethanolamine 9.9958 1262.3 4.1 scans 93% TIC 0.24% 0.168% 372 0.9 208 112610 2.30% 1373882 1303994 18737023 1-0 0.996 10.03 -2.2 100 99 99 99 262 22.3 1.147 -0.038 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN VEN77_S6-N1002 Glycerol 10.0852 1267.5 3.4 scans 76% TIC 0.021% 1.67% 380 1.1 733 1311447 1.76% 13669673 12762864 14337896 2-2 0.813 10.09 -0.5 100 99 96 100 299 431.4 34.857 -0.009 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LACTIC~1-N1034 Glycerol 10.1010 1268.5 3.4 scans 39% 147 m/z (299) 0.10% 0.702% 381 0.7 453 272322 0.737% 5722751 5309321 6003994 2-3 15: 147 205 117 103 218 206 204 175 129 101 217 118 293 263 295 0.952 10.11 -0.5 94 96 93 98 293 31.8 0.491 -0.009 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2378 1276.5 2.7 scans 87% 73 m/z 1.0% 0.0281% 395 1.2 103 25720 0.427% 229519 200973 3478569 4-2 15: 73 198 211 77 199 70 74 239 381 289 212 72 143 200 92 0.991 10.24 -0.1 98 98 96 97 381 12.2 1.402 -0.002 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1003 Isoleucine 10.4262 1287.5 3.1 scans 91% TIC 0.47% 0.0735% 412 1.3 154 58755 0.109% 599340 518445 887972 7-0 0.997 10.45 -1.1 98 96 96 99 232 23.6 2.343 -0.019 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1176 Isoleucine 10.4262 1287.5 3.1 scans 89% 158 m/z 0.48% 0.0711% 412 1.1 152 57456 579701 493080 7-1 18: 158 73 218 159 147 232 160 100 219 74 59 220 233 133 132 260 57 148 0.997 10.46 -1.9 98 96 95 99 260 11.8 0.606 -0.033 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1174 Proline 10.5135 1292.6 3.0 scans 75% 142 m/z 0.91% 0.0206% 421 1.0 89 30262 0.0602% 168428 166996 490421 1-0 6: 142 143 216 144 72 66 0.987 10.55 -1.8 98 97 95 97 142 65.5 54.315 -0.032 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5977 1297.5 2.7 scans 95% 147 m/z 0.065% 0.407% 429 0.8 407 424421 1.48% 3322330 3158126 12056867 1-0 20: 147 73 245 148 75 149 83 133 74 246 143 115 59 84 170 126 58 247 215 66 0.997 10.60 -0.3 98 97 98 99 245 94.9 5.454 -0.004 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1170 Glycine 10.6524 1300.7 >4 scans 69% TIC 0.74% 0.0242% 434 1.1 120 37231 1.42% 197742 197742 11568075 0-0 0.985 10.69 -2.1 94 93 88 93 276 20.1 2.820 -0.035 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7450 1306.3 3.0 scans 95% TIC 0.025% 1.28% 443 0.8 648 1081931 10484424 9882329 1-3 0.994 10.76 -0.8 98 97 96 99 251 156.0 5.814 -0.013 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1168 Glyceric acid 11.0185 1322.8 2.5 scans 97% 73 m/z 0.085% 0.562% 469 0.9 493 326929 4578403 4403716 1-4 20: 73 147 292 189 133 103 205 293 102 117 307 190 148 75 74 294 149 59 101 191 0.999 11.05 -2.1 100 100 99 100 292 152.0 9.535 -0.035 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0754 1326.2 2.9 scans 87% TIC 1.5% 0.0364% 474 1.0 124 17498 0.566% 296592 295420 4610937 0-1 0.987 11.06 0.7 97 95 93 99 285 37.4 9.030 0.012 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1018 Uracil 11.1353 1329.8 2.6 scans 57% 241 m/z 7.9% 0.00519% 480 1.4 45 3520 0.00526% 42292 39759 42851 1-3 7: 241 256 99 255 242 183 113 0.908 11.15 -0.8 96 96 94 99 256 15.8 12.193 -0.013 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1164 Itaconic acid 11.2122 1334.4 2.5 scans 77% 147 m/z 2.3% 0.0134% 487 1.1 73 11667 0.0147% 109222 96993 119754 3-2 5: 147 259 148 149 97 0.953 11.25 -2.5 92 91 89 94 259 14.8 4.140 -0.040 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1162 Fumaric acid 11.3626 1343.5 2.6 scans 96% 245 m/z 0.083% 0.375% 501 0.8 384 334722 3058025 2965735 2-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 155 84 74 53 61 58 127 59 0.999 11.39 -1.8 100 99 99 100 245 218.0 32.294 -0.030 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4552 1349.1 >3 scans 86% TIC 1.4% 0.0252% 510 1.2 99 18830 0.614% 205796 205796 5001970 0-0 0.995 11.45 0.6 86 80 94 99 145 27.5 7.714 0.009 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1160 Serine 11.5057 1352.1 2.6 scans 95% 204 m/z 0.15% 0.269% 515 1.0 338 183968 2192741 2049249 3-2 20: 204 73 218 205 147 100 219 278 206 188 133 75 74 220 306 116 59 148 189 216 0.999 11.56 -3.1 100 99 99 99 306 36.1 1.136 -0.051 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1022 Thymine 11.5920 1357.3 2.8 scans 64% 255 m/z 5.9% 0.00598% 523 1.3 49 4655 48774 47824 0-1 4: 255 144 270 256 0.932 11.60 -0.5 87 83 64 98 270 13.1 7.248 -0.007 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1024 Threonine 11.9150 1376.8 2.6 scans 95% 73 m/z 0.28% 0.166% 554 1.0 270 96296 1356391 1279143 1-2 20: 73 218 219 117 291 292 147 101 220 57 75 203 293 100 74 128 133 129 132 221 0.997 11.92 -0.3 100 99 99 100 320 24.4 0.814 -0.006 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1150 Citrulline 13.0293 1445.9 2.8 scans 44% 128 m/z 5.0% 0.0112% 660 1.1 66 5543 91895 79927 2-3 10: 128 115 243 141 100 169 258 70 244 142 0.867 13.08 -2.9 83 84 69 86 258 10.5 2.556 -0.047 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2766 1461.4 2.8 scans 44% 247 m/z (155) 4.3% 0.0104% 683 1.2 63 6395 0.0111% 85447 82063 90427 0-1 9: 247 248 259 115 349 233 321 231 249 0.939 13.31 -1.9 87 90 75 90 349 10.2 2.613 -0.029 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1148 Glutamine?? 13.2987 1462.8 3.9 scans 79% TIC 0.81% 0.0485% 685 0.7 123 34302 0.217% 395711 395234 1767797 0-1 0.971 13.35 -3.1 95 95 94 97 257 10.1 0.684 -0.048 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1146 Malic acid 13.5975 1481.6 5.5 scans 98% 73 m/z 0.011% 7.62% 714 0.3 1270 2361350 62109198 62099374 1-0 20: 73 147 233 245 189 190 133 148 75 175 191 74 55 149 101 234 307 265 217 72 1.000 13.62 -1.2 100 100 100 100 350 33.7 0.070 -0.020 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1144 Contamination Parabanica acid 13.7679 1492.4 3.5 scans 61% TIC 4.0% 0.00939% 730 1.1 73 6884 4.83% 76542 76542 39347748 0-0 0.900 13.81 -2.4 93 94 81 93 243 31.0 17.924 -0.038 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1142 Erythritol/Threitol 13.8405 1496.9 2.7 scans 85% 73 m/z (127) 0.82% 0.0550% 737 1.4 148 33733 0.0610% 448296 419080 496938 1-2 20: 73 217 147 205 280 103 204 117 191 307 189 218 133 281 192 206 74 293 116 148 0.994 13.89 -3.2 82 76 86 98 320 11.1 0.561 -0.049 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1140 Aspartic acid 14.0310 1509.4 2.6 scans 68% 232 m/z (156) 0.30% 0.120% 755 1.0 227 90896 978235 925828 1-1 17: 232 233 218 100 234 202 188 216 334 292 235 220 142 204 174 101 203 0.989 14.09 -3.7 96 97 96 98 349 12.0 0.282 -0.056 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0510 1510.7 3.0 scans 81% 156 m/z (305) 0.24% 0.138% 757 0.8 221 114755 1126250 1030948 2-1 20: 156 157 258 230 158 231 259 140 112 85 66 86 55 67 154 141 273 228 113 83 0.853 14.03 1.4 96 97 98 99 258 43.2 3.798 0.021 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0510 1510.7 3.0 scans 70% 156 m/z (232) 0.24% 0.120% 757 0.8 207 115339 980214 897269 2-1 20: 156 157 258 230 158 231 259 140 112 85 66 86 55 67 154 141 273 228 113 83 0.976 14.11 -4.0 95 96 97 99 273 9.0 0.189 -0.059 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1032 GABA 14.2088 1521.2 2.5 scans 98% 174 m/z 0.027% 1.28% 772 0.7 739 1012324 10503617 10311599 1-0 20: 174 304 73 147 175 305 176 75 86 306 246 143 59 216 100 133 148 142 172 130 1.000 14.19 1.4 100 99 99 99 304 235.1 10.163 0.021 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3645 1531.5 6.3 scans 65% TIC 2.2% 0.0325% 787 0.7 83 12635 1.14% 264908 264908 9287046 0-0 0.875 14.62 -17.1 83 85 80 89 409 5.9 0.505 -0.256 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6118 1547.9 2.6 scans 96% 73 m/z 0.15% 0.289% 810 1.1 349 175221 2361588 2288041 1-1 20: 73 292 147 205 220 293 217 117 103 148 294 74 221 133 319 75 149 291 102 206 0.998 14.69 -5.3 100 98 98 99 409 27.2 0.608 -0.080 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1126 Pyrazine 15.0748 1578.6 2.6 scans 57% 227 m/z 4.3% 0.00980% 854 1.2 64 6367 79888 79888 0-0 9: 227 301 344 345 228 154 302 211 139 0.807 15.13 -3.8 91 92 82 94 344 17.6 7.504 -0.057 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3810 1598.9 2.8 scans 65% 217 m/z 1.3% 0.0247% 883 1.5 91 21012 0.0258% 201750 173961 210181 0-3 4: 217 218 219 103 0.944 15.44 -4.1 94 94 90 94 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1036 Glutamic acic 15.5041 1607.4 2.5 scans 29% 246 m/z 11% 0.00139% 895 0.9 25 2379 11366 11366 0-0 2: 246 128 0.883 15.50 0.0 80 82 53 86 363 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1118 Phenylalanine 15.6103 1614.8 2.7 scans 84% 218 m/z 0.30% 0.138% 905 1.3 234 90496 0.152% 1126068 1045933 1238273 2-4 16: 218 192 73 219 147 100 91 220 266 74 65 132 294 130 92 160 0.941 15.66 -3.4 93 93 83 94 294 18.4 0.615 -0.049 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1042 Ribose 15.8923 1634.4 3.3 scans 86% TIC 0.87% 0.0533% 932 1.2 144 31854 0.397% 434607 421860 3234173 1-0 0.990 16.10 -14.6 90 88 91 94 307 41.4 8.260 -0.211 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1040 Xylose 16.0102 1642.6 2.7 scans 94% 73 m/z 0.18% 0.258% 943 1.1 326 147611 0.332% 2107235 2033701 2704648 2-1 20: 73 103 217 307 147 308 160 189 218 277 133 74 309 117 104 205 75 148 105 89 0.992 16.00 0.5 94 91 94 99 307 93.1 8.150 0.006 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.2301 1657.9 3.1 scans 30% 290 m/z 3.2% 0.00564% 964 1.7 44 8494 0.00696% 45943 45943 56700 0-0 5: 290 291 292 359 392 0.969 16.28 -3.2 81 83 54 93 392 8.4 3.671 -0.046 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1108 Ribose 16.3237 1664.4 2.9 scans 92% TIC 0.16% 0.332% 973 0.8 355 171806 2706437 2449559 2-1 0.989 16.38 -3.5 94 91 94 98 467 9.9 0.077 -0.051 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6183 1684.8 2.8 scans 89% TIC 0.78% 0.0723% 1001 1.4 173 35576 0.115% 589752 570244 936851 1-0 0.994 16.68 -4.0 100 99 98 99 497 4.0 0.054 -0.058 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0003 1711.9 3.8 scans 75% TIC 1.3% 0.0489% 1037 2.2 129 21141 0.397% 399106 399106 3234173 0-0 0.925 17.06 -4.6 96 96 90 96 510 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1044 Putrescine 17.1960 1726.2 5.0 scans 73% TIC 0.32% 0.144% 1056 1.6 186 86336 0.180% 1177233 1037556 1466376 2-1 0.954 17.19 0.6 98 96 95 99 376 13.7 0.539 0.008 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5695 1753.5 2.9 scans 90% TIC 0.16% 0.199% 1091 1.1 274 167102 0.391% 1622590 1524631 3185294 0-1 0.987 17.63 -4.5 95 94 94 95 450 27.3 0.992 -0.062 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7074 1763.5 3.0 scans 46% 334 m/z (319) 1.8% 0.0593% 1104 1.1 135 15352 0.0774% 483592 403352 630542 3-10 14: 334 204 256 335 375 255 336 285 167 211 166 151 267 67 0.987 17.70 0.6 88 90 86 90 375 20.2 2.228 0.008 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1086 Fructofuranose 18.0893 1791.4 3.0 scans 96% 217 m/z 0.022% 2.63% 1141 0.7 972 1262553 5.21% 21435203 20843080 42443430 1-0 20: 217 73 437 147 438 218 257 219 439 191 129 74 133 103 230 215 303 189 148 75 1.000 18.13 -3.2 94 92 93 97 437 299.7 9.556 -0.045 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1084 Shikimic acid 18.1482 1795.7 3.0 scans 29% 204 m/z (191) 0.27% 0.102% 1146 0.7 164 100785 0.152% 835807 607395 1238273 6-0 17: 204 357 255 254 282 462 373 283 358 447 256 359 267 195 463 268 181 0.965 18.20 -3.5 93 97 92 96 462 18.7 1.307 -0.049 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1082 Citric acid 18.2629 1804.3 2.7 scans 65% 273 m/z 0.082% 0.533% 1157 1.0 471 337042 1.10% 4345736 4115129 8961185 0-1 20: 273 347 375 363 274 465 149 275 376 211 348 221 364 305 257 466 183 349 377 467 0.772 18.32 -4.4 95 94 93 97 465 61.3 1.694 -0.058 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.6038 1830.3 5.8 scans 84% 217 m/z 0.21% 0.375% 1190 0.9 282 127655 0.424% 3060948 3007021 3454129 1-1 20: 217 191 147 218 319 219 129 320 189 192 205 305 103 332 347 190 175 201 143 203 0.982 18.67 -5.0 94 93 92 96 319 53.2 3.557 -0.065 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN ME-ADG~1-N1046 Methyl-a-glycopuranose 18.6964 1837.3 4.2 scans 56% TIC 0.65% 0.0441% 1198 1.1 155 42732 0.316% 359777 359777 2574304 0-0 0.939 19.12 -32.4 87 90 91 92 467 0.0 0.000 -0.425 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1076 Pregnane?? 18.7996 1845.2 3.7 scans 96% 345 m/z 0.024% 2.59% 1208 1.2 854 1136317 21150515 20301914 1-1 20: 345 73 346 255 147 347 204 334 191 256 435 419 372 133 257 348 148 239 537 74 0.999 18.86 -4.5 100 99 99 100 537 67.3 0.623 -0.058 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1074 Adenine 18.8869 1851.9 3.2 scans 55% 264 m/z 0.31% 0.0765% 1217 1.1 167 87942 0.411% 623253 614926 3348224 0-1 18: 264 279 265 266 192 280 84 278 124 99 165 85 237 111 206 164 238 248 0.988 18.94 -4.0 95 94 90 96 415 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1072 Fructose 19.0205 1862.1 9.2 scans 95% TIC 0.014% 13.9% 1229 0.2 1342 1919823 113975540 109587203 1-0 0.996 19.03 -0.9 100 98 99 99 364 158.8 1.406 -0.012 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1050 Fructose 19.0479 1864.1 >3 scans 96% 307 m/z 0.015% 4.61% 1232 0.8 1321 1822569 13.4% 37625119 37625119 109163524 0-0 20: 307 73 103 309 219 74 148 173 365 201 149 105 279 163 134 292 118 119 145 188 1.000 18.98 5.1 100 99 99 99 364 155.8 1.395 0.068 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1052 Fructose 19.1720 1873.6 6.9 scans 94% TIC 0.014% 9.58% 1244 0.3 1337 1859000 41.7% 78081446 78081446 339710369 0-0 0.995 19.10 5.2 100 99 98 99 364 159.4 1.427 0.068 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1070 Fructose 19.1731 1873.7 6.8 scans 87% 73 m/z (319) 0.013% 9.10% 1244 0.3 1287 2054829 34.3% 74185226 74185226 279426035 0-0 20: 73 307 217 103 147 218 277 364 205 74 133 262 219 117 89 104 189 148 191 278 0.990 19.19 -1.6 92 95 96 94 554 43.7 0.000 -0.021 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1068 Galactopyranose 19.2741 1881.4 >5 scans 81% 204 m/z 0.022% 2.28% 1253 0.9 813 1234653 22.8% 18596462 18596462 185740921 0-0 19: 204 191 73 147 205 217 206 192 129 218 193 189 133 148 117 203 74 435 231 0.999 19.32 -3.1 97 96 95 98 435 62.1 0.587 -0.041 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1056 Glucose 19.3856 1889.9 >7 scans 56% 319 m/z (321) 0.012% 7.24% 1264 0.3 1111 2153664 10.1% 59048300 59048300 82279969 0-0 14: 319 320 206 291 208 464 330 433 448 176 367 434 255 450 0.965 19.33 4.1 87 89 82 88 364 86.5 0.607 0.054 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1066 Glucose 19.3856 1889.9 >7 scans 67% 319 m/z 0.012% 7.98% 1264 0.3 1211 2242305 11.1% 65087972 65087972 90426501 0-0 14: 319 320 206 291 208 464 330 433 448 176 367 434 255 450 0.999 19.40 -1.0 98 96 84 99 319 564.1 21.812 -0.013 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1064 Mannose 19.4025 1891.2 8.0 scans 92% 319 m/z 0.011% 14.5% 1266 0.1 1468 2370309 22.8% 118211707 115392684 185740921 0-2 19: 319 73 205 147 160 320 217 103 206 117 133 229 189 157 129 148 74 161 207 1.000 19.45 -4.0 99 98 97 98 319 580.0 15.672 -0.053 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1062 Glucose 19.5971 1906.4 3.9 scans 91% TIC 0.018% 5.04% 1284 0.4 1167 1534936 5.30% 41115963 38352759 43176618 2-0 0.986 19.66 -4.7 99 99 98 99 319 466.8 16.034 -0.059 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1060 Lysine 19.6445 1910.2 >3 scans 82% 174 m/z 0.43% 0.195% 1289 1.4 260 63907 1.50% 1592660 1481654 12219797 0-2 20: 174 317 73 156 318 128 230 175 434 86 200 100 176 228 115 59 329 88 154 130 0.996 19.69 -3.9 88 83 70 96 479 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN N406_R~2-N1016 Galacturonic acid 19.7897 1921.8 2.8 scans 18% 333 m/z 5.0% 0.00447% 1302 1.0 42 5559 0.0104% 36461 36461 84724 0-0 5: 333 334 335 364 393 0.960 19.79 -0.3 87 88 82 90 423 5.4 1.692 -0.003 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN BRA4_R~2-N1010 Tyrosine 19.8318 1925.2 3.3 scans 82% TIC 0.29% 0.125% 1306 1.2 214 93734 0.243% 1022285 985908 1979607 1-0 0.976 19.82 1.1 82 77 74 96 382 19.3 0.818 0.014 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1056 Ascorbic acid 19.9244 1932.7 3.1 scans 67% 73 m/z 1.6% 0.0336% 1315 0.8 119 17306 0.152% 274272 274272 1238273 0-0 20: 73 332 147 205 333 117 374 289 359 259 189 334 272 375 89 133 345 258 149 103 0.977 19.99 -5.0 84 82 81 88 449 10.9 0.825 -0.062 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.3252 1964.9 3.3 scans 98% 204 m/z 0.010% 4.46% 1353 0.5 1237 2734650 36360913 36360913 0-0 20: 204 73 191 217 147 205 206 192 218 129 189 74 193 133 103 435 203 75 305 148 1.000 20.41 -7.1 100 98 99 99 217 275.9 5.003 -0.089 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1052 Gluconic acid 2 20.5283 1981.2 >4 scans 57% TIC 4.0% 0.0110% 1373 0.9 71 6940 2.74% 90364 90364 22321497 0-0 0.926 20.60 -5.5 82 83 78 82 613 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN WTF2-N1038 C16:0 21.1502 2032.6 2.8 scans 78% 313 m/z 2.1% 0.0272% 1432 1.1 103 13072 222182 217471 0-5 16: 313 117 75 132 129 314 145 55 57 328 118 69 201 83 269 285 0.955 20.62 44.3 89 96 91 95 328 11.7 1.271 0.533 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6878 2077.8 3.4 scans 98% 305 m/z 0.016% 5.66% 1483 0.5 1366 1732086 46186982 45366484 0-1 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 133 367 129 192 219 0.998 21.75 -5.1 100 100 100 100 507 109.3 0.643 -0.061 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8604 2092.3 3.0 scans 94% 319 m/z 0.25% 0.258% 1499 1.2 301 110710 2102124 2003690 2-1 20: 319 73 205 147 320 217 103 321 262 206 117 133 204 229 74 148 157 89 129 263 0.998 21.93 -5.8 97 95 97 99 656 6.5 0.047 -0.070 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1032 trans-Caffeic acid 22.1950 2121.2 2.6 scans 95% 396 m/z 0.21% 0.291% 1531 1.0 360 128370 0.360% 2371217 2296469 2932751 1-0 20: 396 73 219 319 397 381 398 205 147 191 220 307 320 103 217 382 249 74 75 293 0.999 22.25 -4.8 92 89 87 94 396 135.0 14.076 -0.055 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6685 2162.6 3.1 scans 74% 204 m/z 2.6% 0.0137% 1576 1.2 69 10362 0.0243% 111655 102732 197961 7-2 6: 204 205 145 361 206 117 0.984 22.71 -3.9 94 93 91 95 518 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN BRA4_R~4-N1012 Spermidine 22.8926 2182.1 3.7 scans 30% 174 m/z (228) 25% 0.00230% 1597 2.8 23 1092 0.00338% 18751 16345 27535 1-0 3: 174 200 201 0.768 22.90 -0.7 84 94 68 93 418 4.3 3.468 -0.007 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN WTF2-N1036 C18:0 23.3924 2227.0 3.0 scans 81% 341 m/z 3.5% 0.0193% 1645 1.4 80 7944 0.0255% 157741 151691 207737 0-3 12: 341 342 117 132 145 356 129 55 57 69 118 131 0.981 22.89 45.2 88 94 88 94 356 11.7 2.118 0.503 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN BRA4_R~2-N1006 Spermidine 23.5060 2237.4 2.8 scans 36% 144 m/z (73) 3.3% 0.0225% 1656 1.0 93 8378 0.0248% 183887 183887 202034 0-0 20: 144 174 116 156 160 86 172 170 142 175 100 157 145 201 490 214 146 130 59 128 0.886 23.51 -0.3 89 92 77 97 490 10.2 1.226 -0.003 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1024 Glycerolgalactose 24.1289 2294.3 2.6 scans 99% 204 m/z 0.022% 1.61% 1715 0.8 826 1241036 13165841 13032127 1-0 20: 204 73 205 217 147 337 103 129 206 218 219 191 361 338 133 203 74 131 148 305 1.000 24.18 -4.8 98 96 99 99 581 18.2 0.049 -0.053 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6487 2343.5 3.4 scans 92% 73 m/z 0.73% 0.122% 1764 0.6 185 37925 995404 956972 3-2 20: 73 331 147 191 217 262 307 421 205 332 103 319 259 305 192 308 422 320 218 148 0.994 24.65 -0.1 99 98 97 99 466 11.0 0.355 -0.001 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7445 2352.6 2.7 scans 83% TIC 3.3% 0.0178% 1773 1.1 86 8361 0.133% 145630 132320 1083489 1-3 0.986 24.81 -5.8 85 83 85 89 451 11.9 1.917 -0.061 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3512 2510.1 2.7 scans 82% TIC 2.6% 0.0118% 1926 0.8 73 10519 0.179% 96521 93650 1458229 0-2 0.984 26.35 0.1 86 86 83 85 495 15.3 4.335 0.001 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4459 2519.9 2.6 scans 96% 73 m/z 0.36% 0.154% 1935 1.0 261 76541 1259826 1228203 1-1 20: 73 217 204 147 129 218 740 305 175 205 741 219 74 361 273 191 232 117 131 742 0.999 26.52 -7.7 99 98 98 98 740 38.6 2.193 -0.075 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5311 2528.7 2.8 scans 87% 512 m/z 2.1% 0.0299% 1943 1.1 111 12950 244155 232058 1-6 20: 512 455 73 513 247 456 57 514 483 248 457 349 219 263 484 497 189 515 207 423 0.991 26.57 -4.4 97 97 88 96 512 42.9 14.890 -0.042 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9015 2567.0 3.4 scans 70% TIC 5.7% 0.00632% 1978 1.5 48 4802 0.0160% 51519 47933 130345 0-2 0.975 26.39 52.4 82 91 72 91 459 7.9 2.721 0.507 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN LQC1-N1014 Sucrose 27.3718 2616.1 2.6 scans 98% 361 m/z 0.026% 1.57% 2023 0.8 819 1057025 12863883 12642531 0-1 20: 361 73 362 217 437 363 147 271 103 451 438 129 169 243 218 319 439 191 331 364 0.999 27.49 -12.6 100 100 99 100 437 164.7 4.067 -0.118 G:\GCMS data\Nicotiana Panel polar\N444_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6469 3103.2 5.1 scans 97% 204 m/z 0.47% 0.200% 2429 2.9 189 58145 1633504 1541194 1-10 20: 204 73 217 129 205 597 103 361 147 206 191 598 337 218 219 243 362 169 271 74 0.999 31.68 -3.4 98 97 97 97 597 33.5 3.160 -0.028 G:\GCMS data\Nicotiana Panel polar\N444_REP3.FIN EXBLK5S-N1006 Contamination 6.2207 1039.3 >15 scans 60% TIC 4.8% 3.04% 13 2.4 33 3064 4.42% 102099 92794 148188 0-3 0.974 6.63 -24.0 90 91 79 92 295 10.7 10.780 -0.404 G:\GCMS data\Nicotiana Panel polar\N444_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.6946 1303.3 5.3 scans 58% 148 m/z 15% 0.277% 438 0.7 22 996 0.572% 9312 9312 19177 0-0 2: 148 76 1.000 10.76 -3.8 80 82 75 82 251 6.2 8.076 -0.063 G:\GCMS data\Nicotiana Panel polar\N444_REP3.FIN LQC1-N1168 Glyceric acid 11.0671 1325.7 6.1 scans 92% 73 m/z 7.0% 1.23% 474 2.3 31 2113 1.54% 41403 41403 51631 0-0 3: 73 189 147 0.979 11.05 0.8 87 88 79 87 292 10.2 10.606 0.013 G:\GCMS data\Nicotiana Panel polar\N444_REP3.FIN LQC1-N1162 Fumaric acid 11.3564 1343.1 5.4 scans 76% TIC 12% 0.384% 501 0.9 19 1217 0.643% 12890 11123 21558 2-0 1.000 11.39 -2.2 82 87 65 87 245 12.9 48.296 -0.037 G:\GCMS data\Nicotiana Panel polar\N444_REP3.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.9838 1859.3 3.4 scans 97% 73 m/z 1.3% 5.85% 1226 2.1 81 11098 12.0% 196234 191604 402321 2-0 17: 73 103 217 307 147 308 218 74 117 277 89 104 189 364 131 191 149 1.000 18.40 44.3 92 97 95 97 364 8.9 1.212 0.580 G:\GCMS data\Nicotiana Panel polar\N444_REP3.FIN WTF2-N1018 Fructose 19.1038 1868.4 3.8 scans 86% TIC 2.0% 5.17% 1237 1.6 68 7480 10.0% 173589 131686 335268 0-5 0.987 18.52 44.1 90 95 93 96 364 8.8 1.661 0.579 G:\GCMS data\Nicotiana Panel polar\N444_REP3.FIN BRA4_R~2-N1004 Galactose 19.3205 1884.9 5.8 scans 94% 319 m/z 1.7% 8.74% 1258 3.3 76 8779 293352 284442 1-1 19: 319 73 205 160 147 320 217 321 117 207 103 189 59 133 157 229 149 206 161 0.995 19.36 -3.2 94 93 88 94 364 4.6 0.364 -0.040 G:\GCMS data\Nicotiana Panel polar\N444_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.7343 2081.7 5.5 scans 96% 217 m/z 2.4% 8.47% 1487 3.4 74 6198 9.01% 284008 284008 302076 0-0 18: 217 73 305 318 191 147 306 319 265 307 218 320 204 103 291 74 192 434 0.998 21.75 -1.2 93 93 89 93 507 6.1 0.676 -0.015 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN EXBLK5S-N1006 Contamination 6.3627 1047.8 4.3 scans 70% TIC 0.79% 0.0956% 26 1.6 120 29276 0.139% 309857 241612 450263 7-0 0.965 6.63 -15.5 99 98 94 98 295 38.0 10.056 -0.262 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8383 1076.0 >9 scans 44% 117 m/z 5.0% 0.0344% 72 0.3 53 4665 0.118% 111478 109999 382238 0-3 5: 117 147 73 190 191 0.922 6.82 1.1 97 98 95 98 295 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1194 Alanine 7.4065 1109.6 10.0 scans 79% 116 m/z 0.97% 0.176% 125 1.0 101 23985 0.211% 571507 560781 683493 0-5 1: 116 0.972 7.40 0.1 96 96 94 96 283 0.0 0.000 0.003 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9316 1140.8 2.6 scans 81% 156 m/z 1.3% 0.0495% 175 1.1 101 17709 0.0691% 160643 156339 223836 1-2 11: 156 75 55 73 157 54 61 158 76 74 59 0.997 7.96 -1.4 99 99 97 99 156 54.7 29.276 -0.025 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1192 Contamination 8.0126 1145.6 2.7 scans 62% 147 m/z 4.3% 0.0197% 183 1.3 67 5397 0.0451% 63838 63274 146093 1-0 10: 147 73 133 86 235 220 72 146 59 148 0.890 7.99 1.4 93 94 89 94 235 12.4 3.497 0.024 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1188 Contamination 8.3840 1167.6 4.7 scans 71% 281 m/z 4.6% 0.0305% 218 1.7 59 5076 0.0556% 98825 88074 180105 10-0 10: 281 147 369 282 283 73 265 370 371 207 0.980 8.41 -1.8 96 96 82 97 369 17.1 8.364 -0.031 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1190 Contamination 8.4577 1171.9 2.7 scans 60% 73 m/z 3.8% 0.0173% 225 1.4 59 6079 0.0566% 56070 53160 183345 2-0 12: 73 140 198 211 77 84 70 126 186 74 69 215 0.942 8.48 -1.6 88 87 80 92 309 5.8 0.960 -0.026 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1186 Phosphate 8.5618 1178.1 2.3 scans 45% 241 m/z 2.0% 0.0227% 235 1.2 71 11669 73547 69593 1-1 8: 241 242 133 211 163 256 243 195 0.572 8.56 0.1 90 90 77 96 299 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1184 Valine 9.1805 1214.6 3.8 scans 70% 144 m/z (156) 2.1% 0.0337% 294 0.6 67 10917 0.0434% 109341 103951 140586 2-2 5: 144 73 218 145 219 0.968 9.19 -0.4 95 97 91 96 218 19.9 8.894 -0.007 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1180 Benzoic acid 9.7487 1247.8 3.1 scans 69% 179 m/z 4.0% 0.0241% 348 0.9 62 5749 78342 72635 1-2 8: 179 105 135 77 180 194 136 106 0.954 9.76 -0.7 88 85 83 97 194 9.7 2.402 -0.010 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1178 Ethanolamine 9.9960 1262.3 4.5 scans 60% TIC 3.2% 0.0154% 372 1.3 55 7190 1.19% 49891 49891 3854771 0-0 0.942 10.03 -2.2 94 95 88 95 262 6.6 1.414 -0.038 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN VEN77_S6-N1002 Glycerol 10.0833 1267.4 2.6 scans 94% TIC 0.031% 1.74% 380 1.0 584 733720 5644557 5584255 0-2 0.981 10.09 -0.6 100 99 98 100 299 352.3 36.542 -0.011 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LACTIC~1-N1034 Glycerol 10.1001 1268.4 3.8 scans 7.3% 205 m/z (299) 1.1% 0.101% 381 0.8 115 20445 0.106% 328200 301289 343366 3-2 9: 205 218 204 175 129 219 293 217 220 0.561 10.11 -0.6 89 98 59 94 293 10.2 0.790 -0.010 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2411 1276.7 2.6 scans 82% 73 m/z 1.3% 0.0395% 395 1.0 91 16858 0.361% 128159 121259 1169388 6-1 13: 73 198 211 77 70 199 74 289 239 381 212 72 143 0.985 10.24 0.1 93 92 91 94 381 9.6 1.126 0.001 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1176 Isoleucine 10.4326 1287.9 3.0 scans 67% 158 m/z 2.3% 0.0285% 413 1.0 71 9914 0.0293% 92631 89984 94912 2-1 6: 158 218 159 160 232 144 0.973 10.46 -1.5 94 93 90 96 260 4.9 0.488 -0.026 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1174 Proline 10.5189 1292.9 2.9 scans 67% 142 m/z 0.81% 0.0467% 421 0.9 93 28757 0.0727% 151507 151047 235497 0-1 6: 142 143 216 144 72 66 0.982 10.55 -1.5 94 94 91 94 142 69.8 56.304 -0.026 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1014 Maleic acid 10.5989 1297.6 2.5 scans 96% TIC 0.098% 0.525% 429 1.0 337 237871 2.63% 1703533 1680618 8519368 1-0 0.996 10.60 -0.2 99 97 98 99 245 78.3 5.412 -0.003 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1170 Glycine 10.6589 1301.1 3.6 scans 68% 174 m/z 0.96% 0.0599% 435 0.9 108 24306 0.601% 194118 194118 1946821 0-0 16: 174 248 73 175 86 276 249 133 100 59 130 250 277 131 158 246 0.986 10.69 -1.7 93 92 88 93 276 17.1 2.498 -0.028 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7409 1306.1 3.0 scans 93% TIC 0.040% 1.79% 442 1.2 523 582404 2.39% 5819177 5703717 7741935 1-1 0.963 10.76 -1.0 100 99 98 100 251 118.7 5.161 -0.017 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1168 Glyceric acid 11.0240 1323.1 2.5 scans 97% 73 m/z 0.066% 1.43% 469 0.9 548 352101 4662757 4481114 1-1 20: 73 147 292 189 133 103 205 293 102 117 148 190 75 307 74 294 59 149 101 191 1.000 11.05 -1.8 100 100 99 100 292 165.0 9.083 -0.030 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0787 1326.4 2.6 scans 45% 184 m/z 7.3% 0.0117% 474 1.0 48 3199 0.0310% 37909 37909 100418 0-0 5: 184 134 285 174 86 0.966 11.06 0.9 87 88 71 89 285 16.5 11.928 0.016 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1018 Uracil 11.1387 1330.0 2.4 scans 68% 241 m/z 4.9% 0.0165% 480 1.1 59 4737 53717 52768 0-3 8: 241 256 99 255 242 113 257 243 0.970 11.15 -0.6 96 95 87 99 256 19.5 11.000 -0.009 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1164 Itaconic acid 11.2186 1334.8 2.6 scans 80% TIC 2.1% 0.0310% 488 0.8 78 10969 1.29% 100692 85625 4178701 0-3 0.987 11.25 -2.1 89 87 89 91 259 14.5 3.484 -0.033 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1162 Fumaric acid 11.3659 1343.7 2.4 scans 97% 245 m/z 0.087% 0.687% 502 0.7 381 268337 2226837 2223834 1-0 20: 245 147 73 246 75 143 247 83 133 148 149 115 155 84 74 53 59 157 58 61 0.999 11.39 -1.6 100 99 99 100 245 213.1 31.286 -0.027 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4617 1349.5 >3 scans 83% TIC 1.2% 0.0599% 511 0.8 106 18455 1.32% 194208 194208 4275880 0-0 0.985 11.45 1.0 92 88 96 99 145 29.8 7.835 0.016 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1160 Serine 11.5111 1352.4 2.6 scans 96% TIC 0.12% 0.769% 516 0.8 381 188824 0.814% 2492159 2492159 2636793 0-0 0.997 11.56 -2.8 100 99 98 99 306 37.5 0.966 -0.046 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1022 Thymine 11.5943 1357.5 2.8 scans 77% 255 m/z 1.7% 0.0297% 523 1.2 73 13665 96224 95245 0-1 8: 255 256 270 257 269 271 120 196 0.973 11.60 -0.3 99 99 93 100 270 23.3 10.321 -0.005 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1024 Threonine 11.9173 1376.9 2.4 scans 94% 73 m/z 0.38% 0.250% 554 1.1 232 61103 810103 776548 1-1 20: 73 218 219 117 291 147 292 101 220 100 293 74 57 75 203 133 128 132 320 129 0.998 11.92 -0.2 100 99 99 100 320 22.1 0.907 -0.004 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1148 Glutamine?? 13.2904 1462.3 2.6 scans 87% 155 m/z 0.60% 0.107% 685 0.9 146 38656 0.138% 349801 341844 447024 1-1 10: 155 156 229 139 59 100 257 84 56 103 0.938 13.35 -3.6 97 97 96 98 257 11.7 0.649 -0.057 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1146 Malic acid 13.5545 1478.9 2.7 scans 97% 73 m/z 0.019% 5.23% 710 0.5 975 1209972 16959080 15836666 1-1 20: 73 147 233 245 133 189 148 190 335 75 175 191 149 74 101 234 55 265 217 307 0.999 13.62 -3.9 100 100 99 100 350 24.3 0.062 -0.063 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1142 Erythritol/Threitol 13.7092 1488.7 2.6 scans 91% TIC 0.95% 0.103% 724 1.5 141 24594 5.41% 335358 313365 17524631 3-0 0.992 13.89 -11.4 98 97 96 98 320 11.8 0.697 -0.181 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7481 1491.1 >3 scans 66% TIC 4.4% 0.0187% 728 2.6 71 5245 4.43% 60810 60810 14350113 0-0 0.929 13.81 -3.7 94 94 86 94 243 28.8 16.599 -0.058 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN METHIO~1-N1066 Methionine 3TMS STD 14.0069 1507.8 2.6 scans 15% 176 m/z (156) 1.4% 0.0428% 753 1.1 90 16372 138709 128204 1-2 5: 176 128 177 293 178 0.441 14.06 -3.6 84 94 60 90 293 16.7 3.443 -0.053 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1140 Aspartic acid 14.0196 1508.7 2.6 scans 25% 232 m/z 0.46% 0.112% 754 1.1 151 50440 364158 347851 1-2 17: 232 233 218 100 234 188 202 216 306 130 334 174 221 235 349 189 341 0.503 14.09 -4.4 93 95 53 96 349 10.4 0.477 -0.067 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0322 1509.5 3.8 scans 83% TIC 0.13% 0.631% 755 0.8 300 168048 2046960 1990078 1-1 0.886 14.03 0.2 98 97 98 100 258 55.8 3.460 0.002 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0364 1509.8 3.1 scans 91% 156 m/z 0.12% 0.529% 756 0.8 296 184749 1715699 1671357 1-1 19: 156 157 147 258 230 158 259 231 148 72 140 58 121 112 260 55 86 85 155 0.984 14.11 -4.9 99 98 97 99 273 12.1 0.168 -0.074 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1032 GABA 14.1858 1519.7 2.8 scans 90% TIC 0.45% 0.202% 770 1.7 188 51924 0.381% 654915 597219 1234175 1-2 0.989 14.19 -0.1 100 99 98 99 304 56.8 9.141 -0.002 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6077 1547.7 2.5 scans 87% 73 m/z 0.63% 0.134% 810 1.2 165 37029 436311 410127 1-1 20: 73 292 147 220 205 293 117 294 103 221 148 133 291 74 319 102 206 75 149 409 0.961 14.62 -0.9 98 98 92 98 409 13.1 0.630 -0.013 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6077 1547.7 2.6 scans 88% TIC 0.62% 0.141% 810 1.4 166 37233 459427 417553 1-1 0.966 14.69 -5.5 98 97 91 97 409 13.1 0.620 -0.084 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7382 1556.3 2.9 scans 15% 174 m/z (267) 2.5% 0.0172% 822 1.0 56 9344 55798 54751 0-1 6: 174 175 86 176 250 100 0.707 14.16 38.0 86 98 63 95 250 13.7 5.932 0.573 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.0612 1577.7 2.6 scans 72% 217 m/z 2.3% 0.0185% 853 1.2 62 9945 60210 59348 0-1 4: 217 218 219 129 0.971 15.44 -25.3 81 81 78 85 393 0.0 0.000 -0.379 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1036 Glutamic acic 15.5021 1607.3 2.5 scans 73% TIC 3.0% 0.0215% 895 0.6 66 7703 0.0617% 69652 65974 199865 1-0 0.979 15.50 -0.1 95 92 91 99 363 6.3 0.913 -0.001 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1118 Phenylalanine 15.6010 1614.2 2.6 scans 39% 218 m/z 2.3% 0.0269% 904 1.1 73 9941 87398 87398 0-0 7: 218 192 219 100 266 220 65 0.609 15.66 -4.0 89 94 60 92 294 7.0 0.913 -0.058 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1038 Xylose 15.8904 1634.3 4.8 scans 59% TIC 4.4% 0.0219% 932 2.8 59 5225 0.221% 71013 71013 715886 0-0 0.908 15.89 0.1 87 86 85 93 307 16.3 7.684 0.000 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1040 Xylose 16.0019 1642.0 2.6 scans 88% 73 m/z 0.69% 0.136% 942 1.0 165 33452 0.194% 443713 443713 628425 0-0 20: 73 103 217 307 147 204 205 189 201 117 218 133 277 160 104 74 75 129 309 89 0.992 16.00 -0.1 96 94 96 98 307 39.1 5.637 -0.002 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1042 Ribose 16.1019 1648.9 2.9 scans 80% TIC 1.6% 0.0532% 952 0.6 98 13946 172426 167966 1-0 0.993 16.10 -0.1 96 94 94 98 307 26.9 7.542 -0.001 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.2239 1657.4 2.9 scans 43% 290 m/z 3.2% 0.0128% 964 1.9 44 7103 0.0131% 41660 39602 42435 1-2 4: 290 291 292 392 0.888 16.28 -3.7 94 95 61 95 392 9.2 4.479 -0.052 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1108 Ribose 16.3165 1663.9 2.9 scans 81% 73 m/z 1.0% 0.0952% 972 0.7 127 21730 0.130% 308673 297967 421109 4-3 19: 73 103 307 217 147 308 160 189 104 277 218 133 309 233 74 278 105 204 148 0.973 16.38 -4.0 94 93 90 96 467 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6132 1684.5 2.6 scans 95% 73 m/z 0.40% 0.274% 1000 1.2 230 57258 0.324% 890388 890388 1049534 0-0 20: 73 319 307 147 217 103 308 205 320 129 306 309 218 74 277 321 117 133 157 148 0.999 16.68 -4.3 100 99 98 99 497 6.1 0.070 -0.063 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1104 Rhamnose 16.8742 1702.7 2.6 scans 76% 117 m/z (217) 2.5% 0.0375% 1025 1.0 85 8991 0.101% 121518 117932 327170 1-0 8: 117 277 160 118 131 305 219 392 0.982 16.93 -4.2 84 84 87 90 392 9.0 1.129 -0.058 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9236 1706.3 2.7 scans 77% 73 m/z 2.4% 0.0391% 1030 1.0 96 9506 0.542% 126909 126909 1755702 0-0 18: 73 217 319 205 147 103 307 218 204 308 320 129 243 189 277 219 206 148 0.991 16.99 -4.8 93 93 91 93 422 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9962 1711.6 2.7 scans 88% TIC 0.87% 0.115% 1037 1.0 154 26840 0.896% 373511 368585 2902416 0-2 0.991 17.06 -4.9 95 94 94 94 510 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1096 Putrescine 17.1877 1725.6 2.7 scans 68% 174 m/z 0.31% 0.132% 1055 1.1 161 74879 428498 408653 1-1 17: 174 175 214 176 172 86 200 100 361 130 142 146 173 187 114 362 126 0.987 17.25 -4.4 98 97 96 99 458 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1044 Putrescine 17.1877 1725.6 2.7 scans 81% 174 m/z (73) 0.31% 0.159% 1055 1.1 175 74357 516504 492584 1-1 17: 174 175 214 176 172 86 200 100 361 130 142 146 173 187 114 362 126 0.995 17.19 0.0 97 97 97 99 376 12.2 0.483 -0.000 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5665 1753.3 2.6 scans 90% 217 m/z 0.21% 0.304% 1091 1.0 251 106655 0.436% 985630 873026 1412336 0-2 20: 217 73 218 147 219 450 451 74 305 232 191 257 133 75 148 452 129 149 169 203 0.997 17.63 -4.7 95 94 95 95 450 41.5 2.737 -0.065 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6928 1762.5 >3 scans 80% TIC 0.54% 0.218% 1103 2.0 200 42879 0.683% 709214 709214 2212444 0-0 0.962 17.70 -0.4 97 98 95 97 375 23.4 1.372 -0.006 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1046 Shikimic acid 18.1242 1794.0 2.5 scans 66% 204 m/z 0.91% 0.0690% 1144 0.9 118 25459 223543 197192 7-1 12: 204 205 357 206 372 254 358 447 282 462 283 373 0.905 18.13 -0.0 93 94 88 94 372 14.1 1.425 -0.001 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1082 Citric acid 18.2483 1803.2 2.6 scans 88% 273 m/z 0.26% 0.464% 1156 1.1 294 89431 0.523% 1505167 1290603 1694156 7-6 20: 273 73 147 347 363 375 274 465 275 75 148 149 211 305 364 376 348 74 221 257 0.992 18.32 -5.5 99 98 96 99 465 43.8 2.220 -0.073 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1076 Pregnane?? 18.7766 1843.4 2.5 scans 96% TIC 0.084% 1.07% 1206 0.8 472 276370 3497491 3367898 1-1 1.000 18.86 -6.3 100 99 98 99 537 35.1 0.554 -0.081 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1074 Adenine 18.8744 1850.9 3.1 scans 34% 264 m/z 3.7% 0.0125% 1215 1.9 44 6303 0.0365% 40753 40753 118235 0-0 3: 264 265 266 0.946 18.94 -5.0 88 87 79 94 415 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1072 Fructose 18.9628 1857.7 2.6 scans 98% 73 m/z 0.027% 4.42% 1224 0.6 899 840298 14333378 13919719 4-0 20: 73 307 217 103 147 308 218 277 133 309 364 205 117 189 74 219 104 148 89 204 1.000 19.03 -5.3 100 98 99 99 364 99.5 1.230 -0.070 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1052 Fructose 19.0806 1866.6 3.1 scans 95% 73 m/z 0.039% 3.85% 1235 0.5 750 594512 12501142 11978814 1-1 20: 73 217 307 103 147 308 277 218 309 364 74 205 133 117 89 262 219 104 148 204 0.994 19.10 -1.8 100 99 99 99 364 82.4 1.212 -0.023 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1064 Mannose 19.2921 1882.8 2.8 scans 98% 319 m/z 0.023% 5.83% 1255 0.7 1045 979042 18897157 18703675 1-0 20: 319 73 205 147 320 160 217 321 103 206 117 133 229 74 129 157 148 189 207 204 0.998 19.45 -12.4 100 98 99 100 319 406.1 15.150 -0.163 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1059 Glucose 19.5247 1900.5 2.9 scans 91% 73 m/z 0.090% 1.32% 1277 0.8 485 258771 4286801 3887370 1-1 20: 73 319 147 205 320 160 103 217 321 133 74 229 117 206 204 148 89 157 75 291 0.990 19.55 -2.2 100 99 99 99 376 18.8 0.150 -0.027 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1061 Lysine 19.6036 1906.9 2.8 scans 46% 174 m/z 5.8% 0.0171% 1285 1.1 56 4007 0.165% 55659 54763 534485 2-0 7: 174 317 156 318 230 128 175 0.898 19.61 -0.7 92 94 81 95 434 5.5 0.960 -0.009 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7056 1915.1 2.8 scans 77% 73 m/z 1.5% 0.0573% 1294 1.6 109 15400 0.209% 185633 185633 677014 0-0 16: 73 244 147 205 117 103 89 307 59 206 245 74 148 149 133 75 0.982 19.79 -6.8 90 89 89 92 434 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1056 Ascorbic acid 19.8940 1930.2 2.6 scans 75% 332 m/z 1.3% 0.0671% 1312 0.9 118 17699 0.0863% 217490 214930 279552 0-1 12: 332 333 374 449 359 361 375 303 206 331 360 260 0.935 19.99 -7.5 95 95 91 96 449 12.7 1.154 -0.092 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2886 1961.9 2.7 scans 93% TIC 0.23% 0.475% 1350 1.0 302 99543 1540733 1472469 1-1 0.975 20.30 -0.6 100 99 99 100 433 34.4 1.298 -0.007 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6785 2077.0 3.3 scans 98% 305 m/z 0.014% 12.8% 1482 0.5 1441 1590953 41613552 41586912 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 133 129 367 291 192 0.999 21.75 -5.9 100 100 100 100 507 116.5 0.655 -0.070 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8606 2092.3 3.0 scans 96% 319 m/z 0.10% 1.45% 1499 1.1 486 232510 4724934 4461087 2-1 20: 319 73 205 147 320 217 103 321 262 206 117 74 133 204 229 148 157 89 129 218 0.999 21.93 -5.8 96 93 96 99 656 11.1 0.053 -0.069 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1825 2120.1 2.6 scans 88% 396 m/z 0.36% 0.286% 1530 1.0 238 63584 0.297% 929670 898387 962073 5-1 20: 396 219 73 397 381 398 220 191 307 382 249 293 75 308 383 74 221 175 192 399 0.961 22.19 -0.4 98 98 95 98 396 103.7 18.912 -0.003 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6676 2162.5 3.0 scans 94% 204 m/z 0.33% 0.256% 1576 1.3 209 70281 0.470% 831179 808741 1522473 1-0 20: 204 73 205 147 145 217 361 206 117 191 249 74 218 75 263 362 133 103 131 129 0.994 22.71 -4.0 92 88 92 97 518 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN BRA4_R~4-N1012 Spermidine 22.8917 2182.1 2.9 scans 69% 174 m/z 10% 0.0150% 1597 1.6 51 2137 48728 47522 0-1 10: 174 200 201 86 172 84 146 160 96 175 0.979 22.90 -0.7 92 92 91 97 418 8.2 2.558 -0.008 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN BRA4_R~2-N1006 Spermidine 23.5062 2237.4 3.2 scans 64% TIC 8.1% 0.0106% 1656 0.9 53 2856 0.138% 34569 34569 447024 0-0 0.988 23.51 -0.3 90 90 90 90 490 3.7 0.484 -0.003 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6489 2343.5 3.2 scans 95% 73 m/z 0.19% 0.769% 1764 1.1 362 118781 0.969% 2494237 2448959 3138885 0-1 20: 73 331 147 217 191 307 421 205 262 103 319 332 305 422 259 204 333 148 74 192 1.000 24.65 -0.1 97 95 98 100 466 22.1 0.371 -0.001 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4460 2519.9 2.7 scans 92% 73 m/z 0.80% 0.141% 1935 1.1 169 29121 0.213% 458032 425321 689972 2-1 20: 73 217 204 147 129 218 305 175 740 205 191 741 131 319 74 273 117 232 133 742 1.000 26.52 -7.7 96 95 94 96 740 21.7 1.661 -0.075 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5323 2528.9 2.8 scans 76% 512 m/z (361) 2.1% 0.0614% 1943 1.0 109 11118 198935 198935 0-1 18: 512 455 513 247 456 57 483 514 349 248 457 484 263 497 423 409 235 203 0.986 26.57 -4.2 94 96 87 96 512 41.1 14.141 -0.041 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN WTF2-N1032 Sucrose 26.6480 2540.8 2.4 scans 73% TIC 8.9% 0.0116% 1954 0.8 53 2612 37592 37592 0-0 0.968 26.87 -22.9 82 84 76 85 451 6.1 1.331 -0.222 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1010 Sucrose 27.4067 2619.8 8.3 scans 100% 437 m/z 0.0073% 33.7% 2026 1.2 1545 3180634 109378654 108032933 1-1 20: 437 451 438 439 365 440 173 322 441 255 289 144 223 275 161 308 315 248 309 565 0.997 27.58 -18.4 100 99 98 99 437 303.5 3.886 -0.172 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1020 Sucrose 27.4067 2619.8 8.3 scans 10% 437 m/z (361) 0.042% 3.49% 2026 1.2 490 548853 11324958 11185623 1-1 20: 437 451 438 439 365 440 173 322 441 255 289 144 223 275 161 308 315 248 309 565 0.849 27.46 -5.8 96 98 96 99 437 304.7 38.763 -0.054 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1018 Sucrose 27.4140 2620.6 8.0 scans 48% 361 m/z (73) 0.0073% 16.9% 2027 0.9 1082 3180634 54942797 54227141 1-1 20: 361 362 363 364 104 321 305 220 291 435 134 260 366 265 222 378 209 373 261 329 0.896 27.47 -5.9 90 93 55 91 437 304.7 7.993 -0.056 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1014 Sucrose 27.4172 2620.9 7.9 scans 90% 363 m/z 0.0073% 25.3% 2027 0.6 1473 3180634 30.9% 82255730 79906986 100094471 1-0 20: 363 319 331 148 204 149 245 104 332 345 259 232 291 435 134 292 258 246 222 159 1.000 27.49 -7.8 100 100 99 100 437 304.7 4.312 -0.073 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1016 Sucrose 27.4414 2623.5 7.5 scans 46% 73 m/z (363) 0.014% 14.9% 2030 0.2 1060 1648859 48427001 46977765 1-1 20: 73 217 147 103 129 271 169 218 243 74 319 191 75 117 133 219 189 148 272 205 0.978 27.48 -3.8 85 88 91 89 437 16.8 0.000 -0.036 G:\GCMS data\Nicotiana Panel polar\N444_REP4.FIN LQC1-N1008 Sucrose 27.4414 2623.5 7.5 scans 99% 73 m/z 0.0076% 31.5% 2030 0.2 1556 3048386 102180814 99122932 1-1 20: 73 217 147 103 129 271 169 218 243 74 319 191 75 117 133 219 189 148 272 205 0.999 27.59 -16.0 100 99 98 99 437 286.5 3.414 -0.150 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN EXBLK5S-N1006 Contamination 6.3773 1048.6 4.7 scans 55% 207 m/z 1.3% 0.136% 28 1.2 89 17404 389759 252052 7-11 11: 207 295 208 191 209 296 133 297 279 193 177 0.984 6.63 -14.7 97 96 89 97 295 29.3 10.880 -0.248 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN A-KETO~2-N1006 Contamination?? 7.9882 1144.1 2.5 scans 80% 156 m/z 1.3% 0.0556% 181 1.0 98 16676 0.0637% 158485 148183 181377 4-4 10: 156 75 55 157 54 61 158 76 82 72 0.980 7.96 1.9 99 99 96 99 156 52.4 28.736 0.031 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1192 Contamination 8.0671 1148.8 2.6 scans 56% 147 m/z 5.7% 0.0148% 188 1.5 53 4026 0.0315% 42181 39426 89692 2-3 6: 147 73 133 235 220 86 0.906 7.99 4.6 91 93 85 92 235 9.6 3.333 0.078 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1188 Contamination 8.3870 1167.8 5.5 scans 80% 281 m/z 2.0% 0.0975% 218 2.2 86 11395 277813 225575 8-14 15: 281 369 147 282 370 283 265 249 371 207 148 284 251 191 266 0.993 8.41 -1.6 99 98 85 99 369 24.1 7.881 -0.028 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1186 Phosphate 8.6016 1180.5 2.5 scans 42% 241 m/z 3.7% 0.0138% 239 1.1 51 6171 39336 39336 0-1 10: 241 242 243 211 163 133 169 135 195 256 0.832 8.56 2.5 92 91 75 94 299 0.0 0.000 0.041 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1184 Valine 9.2182 1216.8 5.4 scans 60% 144 m/z 3.0% 0.0304% 297 0.3 52 7507 0.0473% 86807 86159 134681 0-2 4: 144 73 218 145 0.969 9.19 1.8 94 94 85 94 218 16.9 10.506 0.030 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1180 Benzoic acid 9.7790 1249.6 2.9 scans 66% 179 m/z 5.3% 0.0195% 351 0.6 52 4385 55525 55315 1-0 6: 179 105 135 77 180 194 0.874 9.76 1.1 89 86 81 97 194 8.1 2.382 0.020 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1178 Ethanolamine 10.0063 1262.9 5.3 scans 63% TIC 3.8% 0.0270% 373 0.8 52 6063 0.727% 77062 77062 2070038 0-0 0.911 10.03 -1.6 90 90 79 93 262 6.3 1.482 -0.028 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN VEN77_S6-N1002 Glycerol 10.0957 1268.2 2.6 scans 90% TIC 0.070% 0.936% 381 1.4 396 331171 2666043 2559600 1-1 0.950 10.09 0.2 100 99 97 100 299 233.6 34.854 0.002 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LACTIC~1-N1034 Glycerol 10.1220 1269.7 4.8 scans 94% 205 m/z (299) 0.84% 0.225% 384 0.5 146 27628 0.233% 642168 632833 663437 3-0 9: 205 117 218 206 204 175 129 217 293 0.990 10.11 0.7 93 91 93 99 293 8.7 0.358 0.012 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2589 1277.7 2.7 scans 55% 198 m/z 5.9% 0.00990% 397 0.8 41 3936 28199 28199 0-0 2: 198 211 0.899 10.24 1.1 86 86 80 87 381 3.5 0.724 0.019 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1176 Isoleucine 10.4524 1289.0 3.1 scans 59% 158 m/z 3.1% 0.0259% 415 0.6 59 7405 73957 65571 5-1 6: 158 218 159 144 232 160 0.948 10.46 -0.4 93 92 87 94 260 3.4 0.000 -0.007 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1174 Proline 10.5398 1294.1 3.1 scans 56% 142 m/z (180) 1.6% 0.0298% 423 0.7 63 14098 0.0388% 85025 84241 110478 1-0 4: 142 143 216 144 0.960 10.55 -0.3 92 94 90 94 142 48.2 58.630 -0.005 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6124 1298.4 2.5 scans 92% 147 m/z 0.24% 0.247% 430 1.4 211 94481 1.28% 705453 689715 3644633 1-0 20: 147 73 245 148 75 149 83 133 74 246 115 59 143 84 170 126 58 215 61 72 0.986 10.60 0.6 100 98 99 99 245 48.4 5.262 0.010 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1170 Glycine 10.6776 1302.3 4.9 scans 61% TIC 1.6% 0.0337% 436 0.6 84 14148 1.12% 96063 96063 3189054 0-0 0.973 10.69 -0.5 92 91 87 93 276 13.5 2.588 -0.009 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7523 1306.8 2.9 scans 92% TIC 0.067% 1.20% 443 1.3 401 345036 1.51% 3432019 3335151 4299528 1-1 0.958 10.76 -0.3 99 98 97 99 251 90.9 5.154 -0.006 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1168 Glyceric acid 11.0375 1323.9 2.5 scans 98% 73 m/z 0.081% 1.35% 471 0.9 477 283940 3856409 3768272 1-1 20: 73 147 292 189 133 103 205 293 117 102 307 148 75 190 74 294 149 59 101 191 0.998 11.05 -1.0 100 99 99 100 292 141.3 8.774 -0.017 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0943 1327.4 3.0 scans 69% TIC 7.2% 0.0175% 476 1.0 59 3191 0.998% 50030 50030 2841675 0-0 0.964 11.06 1.9 91 90 87 94 285 17.6 9.081 0.031 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1018 Uracil 11.1543 1331.0 2.4 scans 58% 241 m/z 7.6% 0.0119% 482 0.9 47 3049 33970 33970 0-1 5: 241 255 256 242 113 0.963 11.15 0.4 95 95 86 99 256 14.8 10.037 0.006 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1162 Fumaric acid 11.3710 1344.0 2.5 scans 94% 245 m/z 0.26% 0.267% 502 1.0 219 87662 761102 720252 2-1 20: 245 73 147 246 75 143 247 83 148 133 155 115 149 74 53 84 240 58 59 157 0.999 11.39 -1.3 100 99 99 99 245 120.2 30.160 -0.022 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4699 1350.0 3.7 scans 74% 57 m/z (204) 1.5% 0.0716% 512 0.9 90 14666 0.0823% 203929 187754 234339 2-0 13: 57 97 145 115 127 56 55 129 69 111 109 71 98 0.996 11.45 1.5 89 87 96 98 145 24.8 7.533 0.024 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1160 Serine 11.5204 1353.0 2.7 scans 95% TIC 0.19% 0.633% 516 0.9 311 119264 0.687% 1802411 1739267 1956143 0-1 0.993 11.56 -2.2 99 98 97 99 306 31.0 0.995 -0.037 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1022 Thymine 11.6025 1357.9 3.0 scans 66% 255 m/z 3.3% 0.0156% 524 0.9 48 6901 44479 41355 1-1 7: 255 270 256 257 269 271 120 0.975 11.60 0.1 98 98 89 98 270 15.9 10.790 0.004 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1024 Threonine 11.9255 1377.4 2.5 scans 94% 73 m/z 0.47% 0.218% 555 1.0 200 49091 622852 594800 2-1 20: 73 218 219 117 291 292 101 147 220 57 100 203 74 75 128 293 133 132 320 221 0.999 11.92 0.3 100 99 99 100 320 17.9 0.802 0.005 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1146 Malic acid 13.5480 1478.5 2.8 scans 98% 73 m/z 0.025% 4.13% 709 0.6 809 923041 11783071 11647311 1-0 20: 73 147 233 245 133 75 189 148 190 175 74 191 149 55 101 234 59 217 265 307 1.000 13.62 -4.3 100 99 99 99 350 18.9 0.055 -0.069 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1142 Erythritol/Threitol 13.7122 1488.9 2.6 scans 90% TIC 1.1% 0.0980% 725 1.1 130 20894 4.27% 279091 261821 12158268 3-0 0.995 13.89 -11.2 98 97 96 98 320 10.4 0.643 -0.178 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.7479 1491.1 2.7 scans 61% 100 m/z (73) 5.6% 0.0214% 728 1.1 59 4147 0.0269% 61202 57882 76594 2-1 6: 100 243 115 128 244 158 0.928 13.81 -3.7 90 92 78 93 243 24.0 16.807 -0.058 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN METHIO~1-N1066 Methionine 3TMS STD 14.0089 1507.9 2.4 scans 17% 176 m/z (73) 2.0% 0.0264% 753 1.0 70 11511 75289 72736 1-1 6: 176 128 293 177 178 250 0.714 14.06 -3.5 83 89 59 87 293 13.1 3.554 -0.051 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1140 Aspartic acid 14.0194 1508.6 2.6 scans 25% 232 m/z 0.97% 0.0681% 754 1.1 109 23793 194152 185838 1-1 14: 232 233 100 218 234 202 306 216 132 221 174 220 334 235 0.421 14.09 -4.5 89 95 52 95 349 5.9 0.294 -0.068 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0194 1508.6 2.6 scans 29% 232 m/z (156) 0.97% 0.0813% 754 1.1 118 23741 231668 221748 1-1 14: 232 233 100 218 234 202 306 216 132 221 174 220 334 235 0.695 14.02 0.1 90 90 85 96 258 5.7 0.000 0.002 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0299 1509.3 3.3 scans 83% 73 m/z (232) 0.24% 0.356% 755 0.9 219 96324 1014101 991346 1-1 20: 73 147 157 158 75 74 231 72 59 148 133 66 58 70 149 84 260 86 214 131 0.992 14.11 -5.4 96 97 96 99 273 8.6 0.155 -0.080 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0299 1509.3 3.5 scans 83% TIC 0.26% 0.361% 755 0.8 219 88416 1029788 1003505 1-1 0.890 14.03 0.0 98 97 98 100 258 40.2 3.367 -0.000 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1032 GABA 14.1877 1519.8 2.7 scans 89% 174 m/z 0.76% 0.124% 770 1.2 145 30502 0.212% 354609 333471 603642 1-2 19: 174 73 304 147 175 305 86 176 216 143 306 59 130 246 100 172 148 74 133 0.991 14.19 0.0 99 98 97 98 304 42.5 8.614 -0.000 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3614 1531.3 2.9 scans 91% TIC 0.98% 0.119% 786 1.4 130 23568 0.479% 339871 326674 1363890 0-2 1.000 14.62 -17.3 97 96 95 96 409 9.3 0.516 -0.260 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6086 1547.7 2.7 scans 86% TIC 0.94% 0.0962% 810 1.5 126 24495 273942 273942 0-0 0.952 14.69 -5.5 96 96 89 95 409 9.6 0.573 -0.083 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1036 Glutamic acic 15.5030 1607.4 2.5 scans 31% 246 m/z 12% 0.00318% 895 1.0 24 1912 9055 9055 0-0 3: 246 247 128 0.847 15.50 -0.0 87 91 59 90 363 0.0 0.000 -0.000 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1118 Phenylalanine 15.6019 1614.2 2.7 scans 35% 218 m/z 3.7% 0.0195% 904 1.1 56 6127 55580 55580 0-1 5: 218 192 219 220 100 0.586 15.66 -4.0 87 92 59 91 294 4.7 0.698 -0.057 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1038 Xylose 15.8902 1634.3 5.0 scans 61% TIC 4.8% 0.0217% 932 2.8 53 4759 0.237% 61914 60116 674827 1-0 0.928 15.89 0.1 91 91 84 94 307 13.8 6.901 0.000 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1040 Xylose 16.0017 1642.0 2.6 scans 89% 73 m/z 0.80% 0.130% 942 1.1 149 28953 0.235% 372447 367194 669132 2-1 20: 73 217 103 147 204 205 117 189 201 160 133 277 218 75 74 105 309 129 234 148 0.992 16.00 -0.1 96 94 96 98 307 35.6 5.700 -0.002 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1042 Ribose 16.1017 1648.9 2.9 scans 80% 73 m/z 1.9% 0.0501% 952 0.6 87 11866 0.186% 142797 141407 529611 1-0 15: 73 103 307 217 308 189 160 133 218 309 104 74 89 204 205 0.974 16.10 -0.1 94 93 92 97 307 24.0 7.592 -0.001 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.2259 1657.6 2.9 scans 42% 290 m/z 3.9% 0.0116% 964 1.7 39 5950 0.0119% 33115 29116 33884 1-3 5: 290 291 292 158 392 0.866 16.28 -3.5 93 94 60 94 392 7.7 3.909 -0.050 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1108 Ribose 16.3153 1663.8 2.7 scans 81% 73 m/z 1.1% 0.0969% 972 0.8 121 20079 0.110% 275975 268292 313211 3-3 20: 73 103 307 217 308 147 160 189 277 218 309 104 233 74 133 89 219 75 59 105 0.968 16.38 -4.1 94 93 90 96 467 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6120 1684.4 2.6 scans 94% 73 m/z 0.44% 0.270% 1000 1.2 213 51773 0.325% 769327 769327 925395 0-0 20: 73 307 319 147 217 103 308 320 205 306 129 321 218 309 74 148 117 133 277 243 0.998 16.68 -4.4 100 99 99 100 497 5.5 0.068 -0.064 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1104 Rhamnose 16.8730 1702.6 2.6 scans 65% 117 m/z 2.6% 0.0309% 1025 1.2 75 8634 0.112% 88165 87210 318905 2-0 6: 117 160 277 118 161 219 0.956 16.93 -4.3 83 85 84 85 392 10.7 2.041 -0.059 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9224 1706.2 2.8 scans 75% 73 m/z 2.9% 0.0365% 1030 1.1 84 7998 0.517% 103931 103931 1472090 0-0 14: 73 217 103 147 205 307 319 218 129 204 320 308 148 189 0.990 16.99 -4.9 93 93 89 93 422 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9950 1711.5 2.8 scans 88% TIC 1.0% 0.115% 1037 1.4 138 21785 0.801% 329557 328728 2280743 0-2 0.995 17.06 -5.0 95 94 93 95 510 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1044 Putrescine 17.1876 1725.6 2.7 scans 69% 174 m/z (73) 0.81% 0.0656% 1055 1.2 105 28406 186965 182002 0-1 16: 174 175 214 200 176 172 86 100 361 142 362 114 128 376 187 126 0.989 17.19 -0.0 95 96 95 98 376 8.0 0.584 -0.000 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1096 Putrescine 17.1876 1725.6 2.7 scans 57% 174 m/z 0.80% 0.0537% 1055 1.2 95 28796 152904 148844 0-1 16: 174 175 214 200 176 172 86 100 361 142 362 114 128 376 187 126 0.957 17.25 -4.4 97 97 92 98 458 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5653 1753.2 2.6 scans 93% TIC 0.24% 0.331% 1091 1.0 235 93693 0.643% 943045 825933 1830859 3-1 0.997 17.63 -4.8 95 94 94 95 450 38.3 2.653 -0.067 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6884 1762.1 >3 scans 73% TIC 0.62% 0.193% 1103 2.7 185 37232 0.686% 551103 551103 1953295 0-0 0.974 17.70 -0.8 97 97 93 97 375 21.0 1.292 -0.011 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1219 1793.8 2.6 scans 66% 204 m/z 1.2% 0.0635% 1144 0.8 102 18579 0.0677% 181076 166549 192767 2-2 12: 204 205 206 357 255 372 254 359 358 447 282 462 0.875 18.13 -0.2 93 93 88 94 372 12.4 1.485 -0.003 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1082 Citric acid 18.2461 1803.0 2.8 scans 89% TIC 0.39% 0.324% 1156 1.2 229 58672 0.527% 923711 916335 1500564 0-1 0.993 18.32 -5.7 98 97 95 98 465 33.9 2.190 -0.075 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1076 Pregnane?? 18.7743 1843.3 2.6 scans 96% TIC 0.11% 0.954% 1206 0.8 402 200181 2717632 2636556 1-1 0.999 18.86 -6.4 100 99 98 99 537 29.6 0.542 -0.084 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1074 Adenine 18.8742 1850.9 3.2 scans 28% 264 m/z (189) 4.7% 0.0110% 1215 1.5 38 4906 0.0550% 31532 31532 156605 0-0 4: 264 265 279 266 0.978 18.94 -5.0 90 93 82 93 415 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1072 Fructose 18.9584 1857.3 2.7 scans 96% 73 m/z 0.031% 4.37% 1223 0.7 820 743637 12470540 11396731 4-1 20: 73 217 103 307 147 308 218 277 133 309 205 189 364 74 117 104 219 148 89 75 1.000 19.03 -5.7 100 98 99 100 364 88.5 1.170 -0.075 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1052 Fructose 19.0784 1866.5 2.9 scans 95% 73 m/z 0.043% 3.83% 1235 0.4 686 534298 10909181 10584589 1-1 20: 73 217 307 103 147 308 277 218 364 309 89 74 133 262 117 219 205 189 148 204 0.991 19.10 -1.9 100 99 99 99 364 73.1 1.140 -0.026 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1064 Mannose 19.2888 1882.5 2.5 scans 98% 319 m/z 0.023% 5.97% 1255 0.7 1013 1005512 17003253 16989656 1-0 20: 319 73 205 147 160 320 217 321 103 206 117 133 157 74 129 148 229 189 204 207 0.999 19.45 -12.7 100 98 99 100 319 382.9 14.346 -0.166 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1059 Glucose 19.5213 1900.3 3.1 scans 93% TIC 0.10% 1.33% 1277 0.7 436 228026 3793110 3641208 1-1 0.996 19.55 -2.4 100 99 99 99 376 16.5 0.144 -0.031 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1061 Lysine 19.5992 1906.5 2.6 scans 37% 317 m/z 12% 0.00796% 1284 0.9 36 1835 0.104% 22682 22301 296126 1-0 4: 317 174 156 128 0.907 19.61 -1.1 83 86 75 86 434 0.0 0.000 -0.014 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7044 1915.0 2.5 scans 88% TIC 0.82% 0.107% 1294 1.3 142 28222 0.296% 304835 304835 842821 0-0 0.994 19.79 -6.9 82 81 87 82 434 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1056 Ascorbic acid 19.8907 1930.0 3.0 scans 78% 73 m/z 1.6% 0.0620% 1312 0.8 102 14390 0.205% 176710 171550 583711 1-0 18: 73 332 147 333 117 205 334 374 74 359 345 133 148 260 331 361 149 449 0.959 19.99 -7.7 92 91 88 92 449 9.9 0.946 -0.095 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2852 1961.7 2.8 scans 92% TIC 0.36% 0.354% 1349 1.0 233 63238 1008951 984418 0-1 0.967 20.30 -0.8 100 99 99 99 433 24.5 1.109 -0.011 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6752 2076.7 3.1 scans 98% 305 m/z 0.016% 13.1% 1482 0.4 1354 1428253 37407903 36226853 1-1 20: 305 217 73 318 147 191 306 319 265 204 307 218 432 433 320 367 129 133 291 148 0.999 21.75 -6.2 100 100 100 100 507 107.8 0.636 -0.074 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8583 2092.1 2.9 scans 96% 73 m/z 0.10% 1.39% 1499 1.1 448 213094 3961564 3659487 2-2 20: 73 319 205 147 320 217 103 321 262 206 117 204 74 229 133 157 148 89 129 376 0.999 21.93 -6.0 96 93 96 99 656 9.4 0.044 -0.072 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1792 2119.8 2.8 scans 89% TIC 0.51% 0.239% 1529 1.0 199 44879 0.310% 682301 682301 882685 0-0 0.959 22.19 -0.7 98 98 94 98 396 86.0 18.641 -0.007 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6653 2162.3 3.2 scans 95% 204 m/z 0.44% 0.241% 1576 1.5 179 52165 0.433% 687563 663541 1232911 1-1 20: 204 73 205 147 217 145 361 206 117 191 74 129 249 219 263 75 362 148 231 189 0.997 22.71 -4.2 92 89 92 96 518 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1205 2293.6 2.7 scans 68% TIC 7.1% 0.00923% 1714 1.0 40 3256 0.0516% 26300 21786 146924 0-1 0.956 24.01 10.1 80 81 77 81 490 0.0 0.000 0.110 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6476 2343.4 3.3 scans 96% 73 m/z 0.20% 0.963% 1764 0.6 333 112307 2742118 2678580 2-1 20: 73 331 147 217 191 421 307 262 205 103 319 305 332 204 333 259 74 422 117 376 0.996 24.65 -0.2 99 97 99 100 466 18.9 0.323 -0.002 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4437 2519.7 2.7 scans 94% 73 m/z 0.89% 0.143% 1935 1.1 154 25849 0.215% 407760 392120 612184 1-1 20: 73 217 204 147 129 218 175 305 740 205 74 257 130 742 131 273 361 206 741 133 0.997 26.52 -7.9 96 95 93 95 740 19.8 1.661 -0.077 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5290 2528.5 2.7 scans 70% 512 m/z (204) 2.8% 0.0537% 1943 1.0 94 8234 153125 147190 1-1 17: 512 455 513 456 247 514 57 483 457 484 207 497 263 248 349 423 409 0.969 26.57 -4.6 94 96 84 95 512 36.1 14.689 -0.044 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1020 Sucrose 27.4033 2619.5 7.8 scans 9.8% 437 m/z (361) 0.043% 3.74% 2026 1.1 482 534511 10658495 10657395 1-0 20: 437 451 438 439 452 440 321 454 177 274 232 265 56 275 468 262 394 367 392 315 0.777 27.46 -6.1 94 97 92 98 437 296.8 38.097 -0.058 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1010 Sucrose 27.4033 2619.5 7.8 scans 99% 437 m/z 0.0072% 37.5% 2026 1.1 1531 3205090 107039546 107028493 1-0 20: 437 451 438 439 452 440 321 454 177 274 232 265 56 275 468 262 394 367 392 315 0.997 27.58 -18.7 100 99 98 99 437 299.4 3.852 -0.176 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1014 Sucrose 27.4202 2621.3 7.8 scans 89% TIC 0.0073% 30.2% 2028 0.4 1462 3163652 35.3% 86197044 82990348 100512144 1-0 1.000 27.49 -7.4 100 99 99 100 437 291.7 4.011 -0.070 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1008 Sucrose 27.4360 2622.9 7.7 scans 100% 73 m/z 0.0073% 36.9% 2029 0.2 1559 3173251 105174542 103774207 1-1 20: 73 130 69 81 59 55 132 322 85 53 334 76 54 70 261 308 57 58 174 68 0.999 27.59 -16.6 100 99 97 99 437 288.8 3.453 -0.155 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1012 Sucrose 27.4360 2622.9 7.7 scans 36% 73 m/z (361) 0.014% 13.7% 2029 0.2 929 1565207 39237919 38715490 1-1 20: 73 130 69 81 59 55 132 322 85 53 334 76 54 70 261 308 57 58 174 68 0.910 27.50 -7.0 83 86 92 92 437 16.9 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N444_REP6.FIN LQC1-N1018 Sucrose 27.4412 2623.5 7.8 scans 60% 361 m/z (73) 0.0075% 6.41% 2030 2.1 1201 3069781 23.5% 18271550 18271550 66913184 0-0 20: 361 217 147 271 103 169 243 218 129 319 191 219 331 189 272 204 230 148 133 205 0.972 27.47 -3.0 94 95 73 95 437 284.7 5.677 -0.029 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN EXBLK5S-N1006 Contamination 6.5500 1058.9 6.7 scans 38% 207 m/z 2.6% 0.0161% 44 2.5 51 10789 0.0201% 181061 144430 225951 4-8 6: 207 295 208 296 209 297 0.777 6.63 -4.4 93 95 61 95 295 19.5 14.673 -0.075 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.7320 1069.7 8.0 scans 33% 117 m/z 6.5% 0.00735% 61 0.3 44 4390 0.0160% 82628 82628 179862 0-0 1: 117 0.775 6.82 -5.2 92 93 90 97 295 3.1 0.000 -0.089 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1194 Alanine 7.3591 1106.8 6.9 scans 65% 116 m/z 2.9% 0.0145% 121 0.4 54 9782 0.0264% 163035 163035 296772 0-0 2: 116 73 0.932 7.40 -2.7 92 92 89 92 283 5.9 1.219 -0.045 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN A-KETO~2-N1006 Contamination?? 7.8621 1136.6 2.9 scans 71% 156 m/z 3.2% 0.00786% 169 1.3 58 8698 0.00926% 88423 74865 104095 10-1 7: 156 75 55 157 54 76 61 0.940 7.96 -5.6 96 96 92 98 156 32.2 30.966 -0.095 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1192 Contamination 7.9452 1141.6 2.7 scans 78% 147 m/z 3.3% 0.00943% 177 0.9 71 8629 0.0155% 106062 105593 174241 2-0 16: 147 73 133 220 235 146 148 152 59 100 86 72 89 103 160 74 0.990 7.99 -2.6 97 97 94 97 235 13.6 3.658 -0.044 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1188 Contamination 8.3535 1165.8 4.7 scans 84% 281 m/z 1.8% 0.0293% 216 1.2 86 15573 0.0367% 330252 277613 412558 3-0 15: 281 147 369 282 73 283 370 265 249 371 207 284 191 250 251 0.990 8.41 -3.6 99 98 86 99 369 25.1 8.532 -0.062 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1190 Contamination 8.4282 1170.2 2.9 scans 75% 73 m/z 2.7% 0.0106% 223 1.3 70 10345 0.0208% 119743 116881 233820 0-1 15: 73 140 198 211 77 70 69 186 126 170 215 113 74 92 309 0.984 8.48 -3.3 96 96 93 96 309 7.2 1.061 -0.056 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1186 Phosphate 8.5166 1175.4 2.5 scans 89% 241 m/z 0.73% 0.0230% 231 1.2 109 38904 259091 247802 1-5 19: 241 242 211 163 133 256 243 135 195 89 59 98 137 212 134 121 257 181 119 0.993 8.56 -2.6 99 98 96 99 299 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1184 Valine 9.1416 1212.3 3.2 scans 77% 144 m/z 2.2% 0.0105% 290 0.8 61 12506 0.0132% 118798 101297 148386 3-6 7: 144 73 218 145 219 100 146 0.972 9.19 -2.7 96 96 91 97 218 19.0 9.689 -0.046 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1180 Benzoic acid 9.7129 1245.8 3.0 scans 77% 179 m/z 3.5% 0.00939% 345 1.3 59 8094 0.00997% 105655 92772 112076 3-2 7: 179 105 135 77 180 194 136 0.932 9.76 -2.7 96 95 88 98 194 9.2 2.480 -0.046 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1178 Ethanolamine 9.9833 1261.6 3.6 scans 86% 174 m/z 0.90% 0.0306% 370 1.1 99 31453 0.198% 344154 283555 2225789 4-0 14: 174 73 175 100 86 147 176 59 133 130 262 74 131 114 0.993 10.03 -2.9 99 98 97 98 262 10.2 1.064 -0.051 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN VEN77_S6-N1002 Glycerol 10.0696 1266.6 2.9 scans 95% TIC 0.021% 0.985% 379 0.8 637 1316678 11073135 10937814 0-3 0.987 10.09 -1.4 100 99 96 100 299 395.7 38.787 -0.024 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2243 1275.7 2.6 scans 91% TIC 0.81% 0.0262% 393 1.7 111 35306 295490 292519 0-1 0.989 10.24 -0.9 99 98 96 98 381 12.9 1.348 -0.016 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1176 Isoleucine 10.4116 1286.6 2.9 scans 71% 158 m/z 2.7% 0.00666% 411 1.3 54 10376 0.00709% 74888 70183 79701 1-1 4: 158 218 159 232 0.963 10.46 -2.8 96 95 90 97 260 4.3 0.626 -0.047 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN TAB_REP6-N1012 Proline 10.4968 1291.6 2.9 scans 81% 142 m/z (180) 0.74% 0.0208% 419 1.3 96 38332 0.130% 234001 230386 1461377 2-0 8: 142 73 143 216 144 59 72 66 0.990 10.53 -2.2 97 98 96 98 216 17.9 3.501 -0.036 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5883 1297.0 2.6 scans 95% 147 m/z 0.051% 0.388% 428 0.8 426 553503 4372354 4032075 1-4 20: 147 73 245 148 75 149 83 133 74 115 143 246 170 59 84 58 126 215 242 72 0.998 10.60 -0.8 98 97 98 99 245 97.8 5.287 -0.014 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1170 Glycine 10.6325 1299.6 >3 scans 49% TIC 2.3% 0.00761% 432 1.3 67 12030 0.557% 85571 85571 6261438 0-0 0.979 10.69 -3.2 92 92 86 92 276 10.3 2.375 -0.054 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7262 1305.2 2.7 scans 95% 147 m/z 0.036% 0.573% 441 0.9 508 774129 6447697 6006981 1-2 20: 147 73 251 76 148 149 58 132 252 74 133 177 75 150 176 59 118 131 62 72 0.993 10.76 -1.9 99 97 96 99 251 121.4 5.732 -0.032 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1168 Glyceric acid 11.0092 1322.2 2.5 scans 95% 73 m/z 0.10% 0.338% 468 0.9 409 271989 3800502 3397417 1-3 20: 73 147 292 189 133 205 103 293 190 102 117 307 148 75 294 74 149 59 191 101 0.999 11.05 -2.7 100 100 99 100 292 125.4 9.387 -0.045 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0618 1325.4 2.4 scans 17% 184 m/z 15% 0.00142% 473 1.0 28 1888 16044 16044 0-0 3: 184 285 174 0.976 11.06 -0.1 84 87 61 87 285 11.5 16.991 -0.001 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN TAB_REP6-N1018 Uracil 11.1260 1329.3 2.6 scans 53% 241 m/z 17% 0.00147% 479 1.2 26 1661 16542 16542 0-0 3: 241 256 255 0.912 11.15 -1.3 95 99 97 99 256 9.9 14.227 -0.022 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1164 Itaconic acid 11.2039 1333.9 2.5 scans 78% TIC 4.0% 0.00506% 486 1.0 49 7112 0.00637% 56936 48714 71607 2-2 0.966 11.25 -3.0 91 92 86 91 259 10.5 4.689 -0.048 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1162 Fumaric acid 11.3575 1343.2 2.5 scans 98% 245 m/z 0.065% 0.326% 501 1.0 398 435283 3671007 3576209 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 155 74 84 53 157 61 58 59 1.000 11.39 -2.1 100 98 98 99 245 227.5 32.643 -0.036 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4480 1348.6 >3 scans 80% TIC 2.5% 0.00845% 510 1.1 69 11438 0.375% 95052 95052 4215510 0-0 0.998 11.45 0.1 91 87 97 99 145 20.2 8.473 0.002 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1160 Serine 11.4975 1351.6 2.6 scans 95% 204 m/z 0.29% 0.109% 514 1.4 225 96183 1226226 1189072 3-1 20: 204 73 218 205 147 100 219 188 206 278 75 306 133 220 74 116 216 203 59 189 0.999 11.56 -3.6 100 99 98 99 306 24.2 1.162 -0.060 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN BRA4_R~2-N1008 Thymine 11.5848 1356.9 3.0 scans 47% 255 m/z 6.9% 0.00217% 523 1.7 29 4087 24391 22200 1-1 3: 255 270 256 0.874 11.58 0.1 97 98 82 99 270 10.9 14.016 0.001 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7195 1365.0 3.2 scans 75% 147 m/z 3.1% 0.0127% 535 1.2 68 9152 143821 130038 3-1 15: 147 73 247 101 148 262 116 102 103 59 149 131 87 217 233 0.949 11.79 -3.9 93 94 90 95 262 8.8 1.692 -0.066 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN TAB_REP6-N1024 Threonine 11.9089 1376.4 2.8 scans 88% 73 m/z 1.5% 0.0261% 553 1.7 106 18177 0.0290% 294009 284337 325999 3-4 20: 73 218 219 117 291 292 101 220 203 100 57 128 75 74 320 129 130 133 221 132 0.966 11.92 -0.7 99 98 96 98 320 10.2 0.926 -0.012 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2746 1461.3 2.9 scans 27% 247 m/z (155) 10% 0.00307% 683 1.2 37 2763 34535 34535 1-0 3: 247 248 259 0.901 13.31 -2.0 83 87 65 87 349 6.6 3.184 -0.031 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1148 Glutamine?? 13.2935 1462.5 >4 scans 74% TIC 1.8% 0.0134% 685 1.5 72 15540 0.0368% 151079 151079 413682 0-0 0.988 13.35 -3.4 96 96 92 96 257 5.0 0.484 -0.053 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1146 Malic acid 13.5987 1481.7 5.8 scans 99% 73 m/z 0.011% 5.89% 714 0.2 1165 2437780 66257702 66248214 1-0 20: 73 147 133 190 148 75 191 234 74 149 55 101 246 171 131 72 336 59 117 235 1.000 13.62 -1.1 100 100 100 100 350 32.8 0.080 -0.018 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1144 Contamination Parabanica acid 13.7618 1492.0 3.4 scans 32% 115 m/z 26% 0.00168% 730 1.6 24 1095 0.00191% 18916 18916 21471 0-0 4: 115 243 100 128 0.953 13.81 -2.8 80 85 61 85 243 11.4 23.378 -0.044 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN TAB_REP6-N1028 Aspartic acid 14.0259 1509.1 2.7 scans 22% 232 m/z 1.0% 0.0171% 755 1.4 86 26675 192829 174665 1-2 11: 232 233 218 100 234 202 188 216 130 204 292 0.967 14.02 0.6 93 93 90 95 258 5.3 0.000 0.009 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0522 1510.8 3.4 scans 91% TIC 0.15% 0.171% 757 0.7 253 189889 1928562 1872903 1-1 0.987 14.11 -3.9 99 97 97 99 273 10.3 0.164 -0.058 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1134 GABA 14.1932 1520.2 >3 scans 74% TIC 2.6% 0.0140% 770 1.1 76 10715 0.0833% 158181 147796 936405 1-0 0.985 14.24 -3.2 86 84 86 90 304 21.8 8.313 -0.049 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3405 1529.9 3.2 scans 25% 239 m/z 14% 0.00164% 784 1.2 26 2015 18484 18484 0-0 3: 239 342 240 0.923 14.37 -2.3 85 88 50 89 342 12.7 24.381 -0.034 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6151 1548.2 3.2 scans 90% TIC 1.0% 0.0393% 811 1.2 125 28588 0.0477% 442792 428949 536213 1-1 0.981 14.69 -5.0 98 97 95 98 409 9.5 0.583 -0.077 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3906 1599.6 3.1 scans 75% 217 m/z 0.59% 0.0262% 884 1.5 119 48233 0.0482% 295222 295222 541834 0-0 14: 217 73 218 147 219 129 215 230 103 189 133 148 220 259 0.985 15.44 -3.4 96 96 94 97 393 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1120 Glutamic acid 15.5042 1607.4 2.5 scans 82% 246 m/z 2.0% 0.0114% 895 1.2 77 14039 128186 127625 0-1 10: 246 128 247 348 248 230 156 84 100 363 0.979 15.56 -3.9 96 96 90 95 363 8.4 1.184 -0.056 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1118 Phenylalanine 15.6094 1614.8 3.0 scans 66% 218 m/z 3.9% 0.00914% 905 1.3 62 7308 102785 97265 1-1 6: 218 192 219 91 100 266 0.933 15.66 -3.4 89 88 87 94 294 4.9 0.628 -0.050 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN TAB_REP6-N1038 Xylose 15.9009 1635.0 6.3 scans 71% 217 m/z 1.8% 0.0253% 933 1.3 95 15220 0.154% 285288 278914 1731170 1-0 12: 217 307 73 103 308 147 218 160 277 189 89 219 0.989 15.89 0.8 90 86 86 97 307 25.6 7.248 0.011 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN TAB_REP6-N1040 Xylose 16.1134 1649.8 3.1 scans 87% 73 m/z 1.2% 0.0298% 953 1.0 113 22689 0.167% 336003 332547 1877307 1-0 20: 73 103 307 217 147 308 160 218 189 277 309 74 133 104 205 219 89 117 105 233 0.987 16.00 7.7 96 95 94 95 307 33.9 9.028 0.109 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.2344 1658.2 3.8 scans 43% 290 m/z 6.0% 0.00286% 964 1.9 30 4716 32210 31989 0-2 2: 290 291 0.988 16.28 -2.9 81 83 54 93 392 5.8 3.682 -0.042 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6217 1685.0 3.3 scans 76% 319 m/z 2.8% 0.0167% 1001 1.7 83 10145 0.0230% 188214 188214 258551 0-0 14: 319 307 103 217 308 320 205 321 229 189 309 277 148 218 0.970 16.68 -3.8 97 98 91 97 497 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9426 1707.7 3.9 scans 64% 73 m/z 2.4% 0.0172% 1032 1.1 88 11661 0.121% 193394 193394 1360205 0-0 17: 73 217 205 147 319 103 307 318 246 218 204 320 243 308 189 206 74 0.967 16.99 -3.4 95 95 91 95 422 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0099 1712.6 4.4 scans 78% 73 m/z 1.3% 0.0370% 1038 1.5 116 21528 0.167% 416474 416474 1877307 0-0 15: 73 217 319 307 205 147 103 218 320 189 204 308 321 277 309 0.939 17.06 -3.9 88 88 83 88 510 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN TAB_REP6-N1044 Putrescine 17.1972 1726.3 3.2 scans 54% 174 m/z (73) 1.9% 0.0104% 1056 1.1 64 14476 117864 111479 2-1 8: 174 175 214 176 172 86 200 100 0.938 17.19 0.7 91 94 90 95 376 5.3 0.673 0.009 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1096 Putrescine 17.1972 1726.3 3.2 scans 43% 174 m/z 1.9% 0.00818% 1056 1.1 58 14383 92052 87065 2-1 8: 174 175 214 176 172 86 200 100 0.989 17.25 -3.7 97 97 95 97 458 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5781 1754.1 3.4 scans 92% 217 m/z 0.16% 0.167% 1092 1.1 258 172601 0.265% 1881555 1833493 2978961 2-1 20: 217 73 218 147 219 230 75 189 215 74 129 103 244 220 148 130 231 216 191 149 0.999 17.63 -3.9 95 93 95 95 450 26.5 1.057 -0.054 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7191 1764.4 3.6 scans 85% 334 m/z (217) 0.38% 0.152% 1106 0.8 228 74363 1708784 1590199 2-3 18: 334 204 256 335 255 375 336 166 167 211 267 151 376 337 241 66 239 95 0.995 17.70 1.5 91 90 91 98 375 24.4 1.151 0.020 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1086 Fructofuranose 18.0810 1790.8 5.2 scans 69% 217 m/z 0.68% 0.0907% 1140 1.3 153 41461 0.241% 1020577 916772 2709168 4-0 16: 217 73 437 218 439 219 257 231 74 133 303 215 440 317 169 304 0.938 18.13 -3.8 91 90 88 95 437 38.5 6.354 -0.053 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN TAB_REP6-N1048 Citric acid 18.2589 1804.0 3.5 scans 60% 273 m/z 1.3% 0.0407% 1157 1.3 122 20575 0.0531% 457679 445519 596916 0-1 14: 273 363 191 375 274 465 275 364 376 183 466 192 467 377 0.953 18.24 1.2 96 95 92 98 465 19.3 2.505 0.015 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1076 Pregnane?? 18.8050 1845.6 8.8 scans 95% 345 m/z 0.11% 0.894% 1209 1.9 373 248162 0.911% 10052171 9977898 10240880 3-1 20: 345 147 347 419 239 148 348 75 436 215 331 131 183 193 240 221 259 374 177 241 0.999 18.86 -4.1 100 99 99 99 537 29.2 0.611 -0.053 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1072 Fructose 19.0554 1864.7 15.3 scans 96% 73 m/z 0.012% 13.2% 1233 0.3 1308 2337970 29.3% 148414062 140359964 329371866 1-0 20: 73 103 217 147 133 104 129 219 75 173 89 100 105 131 206 59 190 149 203 58 0.999 19.03 1.7 99 98 98 99 364 148.4 1.292 0.022 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN TAB_REP6-N1050 Fructose 19.0554 1864.7 15.5 scans 92% TIC 0.012% 12.9% 1233 0.4 1282 2203203 29.3% 146130754 138560379 329371866 1-0 0.999 18.98 5.7 100 99 98 99 364 148.4 1.346 0.075 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN TAB_REP6-N1052 Fructose 19.1890 1874.9 >5 scans 45% 307 m/z 0.027% 1.65% 1245 0.5 887 1045832 23.6% 18557856 18557856 265296110 0-0 20: 307 308 277 204 202 206 203 276 192 157 319 220 143 130 144 127 243 230 87 246 1.000 19.10 6.5 97 96 95 97 364 126.4 2.036 0.085 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1070 Fructose 19.2311 1878.1 10.1 scans 93% 365 m/z 0.014% 5.23% 1249 0.5 1252 2009535 217% 58884365 58884365 2439375252 0-0 20: 365 319 264 556 198 214 265 467 260 208 150 254 301 338 160 374 199 379 162 420 0.999 19.19 2.8 99 98 98 99 554 65.3 0.273 0.037 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1066 Glucose 19.3900 1890.2 14.0 scans 28% 319 m/z (73) 0.012% 5.12% 1264 2.0 723 2212473 57596344 55545779 0-1 20: 319 204 307 364 269 246 175 376 263 366 309 323 292 331 193 235 276 192 359 247 0.756 19.40 -0.7 82 88 41 87 319 512.9 50.731 -0.009 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1064 Mannose 19.3974 1890.8 14.0 scans 98% 320 m/z 0.012% 17.9% 1265 1.5 1359 2382742 201290114 195663511 1-1 17: 320 321 277 262 291 305 231 177 306 221 374 244 278 271 169 345 127 0.986 19.45 -4.4 100 99 97 99 319 526.2 15.049 -0.058 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1062 Glucose 19.6520 1910.8 4.8 scans 99% 322 m/z 0.011% 6.46% 1289 0.3 1347 2411245 72647527 72236280 2-0 20: 322 309 365 323 347 342 331 150 193 390 333 179 303 405 335 294 284 316 263 165 1.000 19.66 -0.3 99 98 98 100 319 535.5 15.873 -0.004 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN BRA4_R~2-N1004 Galactose 19.6551 1911.0 4.5 scans 80% 319 m/z (322) 0.011% 5.26% 1290 0.3 1258 2532583 59221589 59160856 1-0 20: 319 73 205 147 320 160 217 103 321 206 133 229 117 129 204 74 189 157 148 207 0.976 19.36 22.9 86 91 89 90 364 18.7 0.000 0.294 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1056 Ascorbic acid 19.9424 1934.1 2.6 scans 61% 332 m/z 1.9% 0.0189% 1317 0.9 93 14372 0.0209% 213498 181298 234944 7-4 8: 332 333 374 334 359 361 449 331 0.969 19.99 -3.6 92 91 87 94 449 10.5 1.257 -0.044 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.3064 1963.4 2.7 scans 94% TIC 0.15% 0.197% 1351 1.2 299 183671 2215391 2157211 1-1 0.994 20.41 -8.6 99 99 98 99 217 65.1 4.749 -0.108 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN WTF2-N1038 C16:0 21.1619 2033.6 2.8 scans 81% 313 m/z 3.6% 0.0119% 1433 1.2 72 7877 0.0135% 133802 127786 151758 0-9 9: 313 117 132 75 314 55 145 129 328 0.956 20.62 45.3 81 85 84 93 328 9.2 1.642 0.545 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.7238 2080.8 7.0 scans 97% 432 m/z 0.013% 9.77% 1486 0.2 1370 2084000 109840096 109771768 1-0 13: 432 394 419 395 322 436 407 405 408 523 371 524 137 0.998 21.75 -2.1 100 100 99 100 507 106.2 0.603 -0.025 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN INOSIT~1-N1022 myo-Inositol 21.7238 2080.8 7.0 scans 8.5% 432 m/z (305) 0.11% 0.855% 1486 0.2 405 247269 9620140 9614155 1-0 13: 432 394 419 395 322 436 407 405 408 523 371 524 137 0.491 21.74 -1.5 86 97 68 95 507 106.3 6.887 -0.017 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1044 myo-Inositol 21.7238 2080.8 7.0 scans 27% 432 m/z (73) 0.027% 2.77% 1486 0.2 730 1055242 31225689 31206265 1-0 13: 432 394 419 395 322 436 407 405 408 523 371 524 137 0.791 21.77 -3.6 95 97 93 99 612 37.4 0.264 -0.043 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1042 myo-Inositol 21.7353 2081.8 6.8 scans 75% 73 m/z (433) 0.015% 7.61% 1487 0.2 1234 1842420 85612401 84884755 1-0 20: 73 74 103 368 75 308 369 134 294 220 130 59 135 379 132 81 277 194 150 119 0.967 21.77 -3.3 94 97 95 97 318 295.9 5.762 -0.039 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8763 2093.6 3.0 scans 95% 319 m/z 0.12% 0.390% 1501 1.0 396 222156 4387350 4071368 1-2 20: 319 73 205 147 320 217 321 103 262 206 204 117 74 133 229 157 148 89 129 376 0.999 21.93 -4.5 96 93 96 99 656 10.3 0.068 -0.054 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1032 trans-Caffeic acid 22.2056 2122.2 2.6 scans 94% 73 m/z 0.19% 0.241% 1532 1.3 349 144816 0.333% 2711449 2631427 3743373 1-0 20: 73 396 219 319 397 205 381 147 320 398 191 103 220 307 217 321 382 133 74 75 0.997 22.25 -3.8 94 91 89 97 396 119.9 11.794 -0.044 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6707 2162.8 3.3 scans 82% 204 m/z 1.2% 0.0220% 1576 1.2 94 22040 0.0478% 247336 225472 537337 2-0 14: 204 73 205 217 147 206 249 361 145 191 218 129 131 75 0.975 22.71 -3.7 97 96 96 97 518 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN WTF2-N1036 C18:0 23.3999 2227.7 3.0 scans 79% 341 m/z 5.8% 0.00852% 1645 2.0 56 4864 0.0110% 95865 95865 123655 0-0 9: 341 117 132 342 145 129 55 356 57 0.985 22.89 45.9 86 93 84 92 356 8.7 2.379 0.511 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN BRA4_R~2-N1006 Spermidine 23.5125 2238.0 2.6 scans 87% TIC 2.3% 0.0277% 1656 0.9 109 12072 0.0360% 312499 249519 404689 3-11 0.976 23.51 0.3 92 88 95 100 490 10.0 0.841 0.003 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1028 Glycerolgalactose 24.1259 2294.1 2.8 scans 70% 204 m/z 4.6% 0.00544% 1714 1.5 47 6119 0.00907% 61183 54118 101959 0-2 5: 204 337 205 426 217 0.926 24.01 10.6 81 79 79 88 490 0.0 0.000 0.116 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6541 2344.0 3.4 scans 95% 73 m/z 0.42% 0.164% 1765 0.5 228 68068 1845644 1812808 1-1 20: 73 331 147 191 217 421 262 205 319 307 103 332 305 422 259 204 192 117 74 333 0.995 24.65 0.4 99 98 99 100 466 13.7 0.363 0.004 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7457 2352.7 2.6 scans 93% 73 m/z 1.3% 0.0368% 1773 1.1 133 21643 414213 407049 0-1 20: 73 217 204 147 292 305 103 375 219 218 451 293 233 129 205 376 133 333 191 189 0.994 24.81 -5.7 95 94 94 94 451 16.5 1.550 -0.059 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5333 2529.0 >4 scans 74% TIC 2.7% 0.0246% 1943 1.6 91 10399 0.110% 277595 266739 1236550 0-1 0.989 26.57 -4.1 95 95 84 95 512 33.9 14.006 -0.040 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1020 Sucrose 27.4098 2620.2 11.3 scans 15% 437 m/z (361) 0.050% 1.79% 2026 1.6 500 560785 1.96% 20192737 19808732 22033067 1-0 9: 437 451 439 452 453 454 393 468 467 0.859 27.46 -5.4 94 95 63 99 437 258.2 26.772 -0.051 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1014 Sucrose 27.4193 2621.2 11.2 scans 87% 361 m/z 0.0088% 10.9% 2027 1.3 1231 3240403 12.0% 123413457 121377088 134896327 1-0 14: 361 362 363 319 364 331 291 440 306 333 435 366 178 160 0.999 27.49 -7.5 100 99 99 99 437 259.3 4.474 -0.071 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1010 Sucrose 27.4277 2622.1 10.8 scans 94% 217 m/z 0.0087% 10.9% 2028 0.8 1293 3281192 13.0% 123317548 121424299 146137688 1-0 20: 217 271 169 129 243 272 245 244 231 229 170 257 221 332 143 203 118 317 207 99 1.000 27.58 -16.1 100 99 97 99 437 259.1 4.047 -0.151 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1008 Sucrose 27.4730 2626.9 10.5 scans 62% 73 m/z 0.015% 1.95% 2033 2.5 1017 1814913 7.66% 22004813 22004813 86108822 0-0 20: 73 217 147 103 129 169 74 243 75 191 189 148 230 149 117 133 204 205 245 229 0.613 27.59 -12.6 94 98 61 93 437 241.4 0.000 -0.118 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1012 Sucrose 27.4730 2626.9 10.5 scans 46% 73 m/z (361) 0.015% 1.46% 2033 2.5 877 1867125 5.72% 16446252 16446252 64300583 0-0 20: 73 217 147 103 129 169 74 243 75 191 189 148 230 149 117 133 204 205 245 229 0.949 27.50 -3.0 81 83 91 92 437 15.0 0.000 -0.028 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1018 Sucrose 27.4835 2628.0 >2 scans 66% 361 m/z 0.0093% 1.27% 2034 1.4 946 3054930 7.67% 14313478 13810469 86221236 0-1 20: 361 362 437 363 451 438 319 439 364 452 331 453 320 305 440 345 450 365 333 347 1.000 27.47 1.5 95 94 75 94 437 245.5 6.805 0.013 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN LQC1-N1006 Trehalose 28.3831 2725.3 2.8 scans 79% 361 m/z 3.0% 0.00953% 2119 1.3 69 9385 0.0501% 107143 105701 563192 0-2 7: 361 362 363 243 191 271 169 0.991 28.47 -9.6 90 88 84 94 565 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN GUA35_L1-N1020 Galactinol 30.6106 2980.1 2.7 scans 90% TIC 1.8% 0.0141% 2331 1.4 80 15789 0.0152% 158629 158629 170869 0-0 0.988 30.55 7.7 81 80 89 81 641 0.0 0.000 0.066 G:\GCMS data\Nicotiana Panel polar\N476_REP1.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6902 3108.3 5.5 scans 83% 204 m/z 3.7% 0.0174% 2433 2.3 60 7666 196375 182700 1-4 10: 204 103 205 597 129 337 361 217 206 218 0.975 31.68 1.7 88 88 84 90 597 11.5 3.633 0.015 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN EXBLK5S-N1006 Contamination 6.5898 1061.2 3.4 scans 66% TIC 1.4% 0.0146% 48 2.4 80 20288 0.0588% 174624 165791 698550 2-1 0.967 6.63 -2.1 98 98 92 98 295 25.6 10.257 -0.035 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.7719 1072.0 >6 scans 23% 147 m/z 9.5% 0.00371% 65 0.7 32 3065 0.0122% 44099 36904 144937 0-8 2: 147 117 0.853 6.82 -2.9 86 88 86 95 295 2.6 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1194 Alanine 7.3906 1108.7 >10 scans 56% TIC 5.3% 0.00808% 124 0.6 38 5417 0.0319% 96064 85250 378975 1-0 0.937 7.40 -0.8 87 88 79 90 283 0.0 0.000 -0.013 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN A-KETO~2-N1006 Contamination?? 7.8872 1138.1 3.1 scans 79% TIC 2.2% 0.0101% 171 1.2 69 13154 0.0365% 120084 120084 433624 0-0 0.980 7.96 -4.1 99 98 95 98 156 37.9 29.775 -0.070 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1192 Contamination 7.9703 1143.1 2.6 scans 87% 147 m/z 1.4% 0.0214% 179 0.9 105 19917 0.0291% 254884 245401 345711 2-0 19: 147 73 133 220 235 148 59 146 86 72 89 103 160 149 100 134 152 74 131 0.997 7.99 -1.1 100 99 98 99 235 19.9 3.599 -0.019 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1188 Contamination 8.3744 1167.0 4.5 scans 76% 281 m/z 1.2% 0.0371% 217 1.3 95 23927 441135 361149 5-10 10: 281 147 369 282 283 265 370 371 249 207 0.924 8.41 -2.4 100 99 98 100 369 29.7 9.697 -0.041 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1190 Contamination 8.4343 1170.6 2.9 scans 75% 73 m/z 1.9% 0.0154% 223 1.2 82 14946 0.0271% 184082 182848 321951 0-2 20: 73 211 140 198 77 69 70 186 126 170 113 92 74 309 255 72 215 212 78 142 0.982 8.48 -2.9 94 93 92 96 309 7.5 0.839 -0.050 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1186 Phosphate 8.5301 1176.2 2.5 scans 88% 241 m/z 0.76% 0.0226% 232 1.2 104 38094 268652 258860 1-3 18: 241 242 163 211 133 243 256 195 89 119 137 134 98 121 212 164 107 181 0.988 8.56 -1.8 99 98 96 99 299 0.0 0.000 -0.031 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1184 Valine 9.1561 1213.2 3.3 scans 81% 144 m/z (156) 2.2% 0.0126% 292 0.8 61 13230 0.0145% 150677 118906 172261 6-23 6: 144 73 218 145 219 146 0.980 9.19 -1.8 95 97 93 97 218 18.0 8.614 -0.032 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1180 Benzoic acid 9.7243 1246.4 3.1 scans 69% 179 m/z 4.6% 0.00742% 346 1.2 51 6205 88197 74111 1-5 5: 179 105 135 77 180 0.887 9.76 -2.1 91 89 84 96 194 7.4 2.124 -0.035 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1178 Ethanolamine 9.9916 1262.1 3.5 scans 89% 174 m/z 0.58% 0.0436% 371 1.1 120 49495 0.180% 518640 452736 2138418 3-0 17: 174 73 175 100 147 86 176 59 133 130 262 131 114 74 172 148 101 0.993 10.03 -2.4 100 99 98 99 262 13.0 1.163 -0.042 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN VEN77_S6-N1002 Glycerol 10.0705 1266.7 2.7 scans 92% TIC 0.029% 0.678% 379 0.9 533 998233 8056170 7667185 1-3 0.976 10.09 -1.3 100 100 99 100 299 329.9 38.449 -0.023 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LACTIC~1-N1034 Glycerol 10.0873 1267.7 3.5 scans 11% 205 m/z (299) 0.81% 0.0490% 380 0.9 124 35733 582984 544018 1-4 10: 205 117 218 206 204 129 219 101 217 293 0.608 10.11 -1.3 89 97 60 94 293 11.0 0.786 -0.023 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2315 1276.1 2.7 scans 92% 73 m/z 0.57% 0.0372% 394 1.5 129 50921 442865 419255 1-2 19: 73 198 77 211 70 199 74 239 289 212 381 72 143 200 170 92 63 142 285 0.997 10.24 -0.5 99 98 98 99 381 14.1 1.196 -0.009 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1176 Isoleucine 10.4209 1287.2 3.4 scans 77% TIC 2.8% 0.00746% 412 1.7 53 10096 0.0296% 88666 81212 351651 1-0 0.961 10.46 -2.2 97 97 90 97 260 4.5 0.701 -0.038 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1174 Proline 10.5040 1292.0 5.1 scans 63% TIC 1.0% 0.0149% 420 0.4 74 26503 0.0229% 177293 177293 272054 0-0 0.937 10.55 -2.4 96 97 90 96 142 53.7 53.073 -0.041 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN TAB_REP6-N1012 Proline 10.5051 1292.1 2.8 scans 77% 142 m/z (180) 0.91% 0.0162% 420 1.1 82 31926 0.0267% 193107 177511 317199 4-0 5: 142 143 216 144 72 0.983 10.53 -1.7 95 97 94 97 216 15.3 3.504 -0.028 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1172 Maleic acid 10.5903 1297.1 2.7 scans 97% TIC 0.066% 0.290% 428 1.0 363 436853 1.29% 3446931 3385505 15325330 1-0 0.996 10.62 -2.0 99 98 98 99 245 83.4 5.284 -0.034 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1170 Glycine 10.6408 1300.0 >3 scans 54% TIC 2.3% 0.00454% 433 1.7 61 12428 0.761% 53949 53949 9040757 0-0 0.973 10.69 -2.8 92 92 84 92 276 9.9 2.579 -0.046 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7397 1306.0 3.2 scans 95% 147 m/z 0.024% 0.935% 442 0.7 590 1166087 11111723 10124134 2-2 20: 147 73 251 148 76 149 58 132 74 252 177 133 150 176 118 59 62 146 253 72 0.993 10.76 -1.1 99 97 96 99 251 142.9 5.896 -0.018 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1168 Glyceric acid 11.0101 1322.3 2.5 scans 97% 73 m/z 0.13% 0.248% 468 1.2 351 223376 2954326 2822703 1-2 20: 73 147 292 189 133 103 205 293 117 102 148 190 307 75 74 294 149 59 101 191 0.998 11.05 -2.6 100 100 99 100 292 107.1 9.313 -0.044 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0711 1326.0 2.6 scans 57% 184 m/z 6.1% 0.00505% 474 1.0 48 4715 0.00835% 60081 60081 99199 0-0 8: 184 285 134 174 86 100 286 77 0.952 11.06 0.5 93 94 74 94 285 16.9 12.275 0.008 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN TAB_REP6-N1018 Uracil 11.1290 1329.4 2.8 scans 54% 241 m/z 11% 0.00231% 479 1.6 30 2517 0.00233% 27496 27255 27681 0-1 4: 241 255 99 256 0.904 11.15 -1.2 95 97 90 98 256 10.8 12.954 -0.019 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1164 Itaconic acid 11.2090 1334.3 2.5 scans 78% TIC 3.5% 0.00558% 487 0.6 51 8244 0.00728% 66357 60710 86487 0-2 0.967 11.25 -2.6 90 90 85 91 259 11.0 4.712 -0.043 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1162 Fumaric acid 11.3573 1343.2 2.5 scans 96% 245 m/z 0.093% 0.212% 501 1.0 325 311219 2521988 2411614 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 155 74 84 53 61 59 127 157 1.000 11.39 -2.1 100 99 99 99 245 184.2 32.219 -0.036 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4520 1348.9 3.4 scans 90% TIC 1.6% 0.0135% 510 1.2 81 17480 0.273% 160628 160628 3243268 0-0 0.993 11.45 0.4 97 95 99 100 145 22.9 7.948 0.006 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1160 Serine 11.4994 1351.7 2.8 scans 94% TIC 0.64% 0.0569% 514 1.2 152 45367 0.286% 676416 631444 3397709 0-1 0.998 11.56 -3.5 99 99 97 99 306 15.8 1.075 -0.058 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN BRA4_R~2-N1008 Thymine 11.5899 1357.2 2.9 scans 34% 255 m/z 18% 0.000676% 523 1.3 17 1555 8034 8034 0-0 1: 255 0.814 11.58 0.4 86 92 71 95 270 6.2 13.993 0.006 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN TAB_REP6-N1024 Threonine 11.9119 1376.6 3.1 scans 84% TIC 2.0% 0.0199% 554 1.4 86 14365 236910 212642 6-4 0.950 11.92 -0.5 98 98 94 97 320 8.0 0.873 -0.009 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1148 Glutamine?? 13.2923 1462.4 3.0 scans 33% 155 m/z 4.2% 0.00310% 685 1.2 35 6911 0.00316% 36867 33102 37541 0-1 3: 155 139 229 0.509 13.35 -3.5 81 88 53 91 257 3.2 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1146 Malic acid 13.5954 1481.5 4.8 scans 98% 147 m/z 0.011% 4.88% 714 0.2 1128 2456133 57983799 57659008 1-0 20: 147 73 233 245 189 133 190 335 175 148 191 75 234 149 217 101 265 307 74 55 0.999 13.62 -1.3 100 100 100 100 350 31.1 0.076 -0.022 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN TAB_REP6-N1028 Aspartic acid 14.0236 1508.9 2.6 scans 25% 232 m/z 1.4% 0.0110% 754 1.3 70 20553 131646 131511 0-1 8: 232 233 218 202 234 188 216 219 0.868 14.02 0.4 93 94 85 95 258 4.4 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0467 1510.5 3.4 scans 92% TIC 0.15% 0.159% 757 0.8 239 186383 1899227 1819053 1-1 0.990 14.11 -4.2 99 97 97 99 273 9.5 0.158 -0.063 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1134 GABA 14.1920 1520.1 6.8 scans 75% TIC 2.3% 0.0177% 770 1.7 77 12310 0.0489% 210851 198453 580937 5-0 0.984 14.24 -3.3 84 81 84 89 304 21.8 8.066 -0.050 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3666 1531.7 3.0 scans 51% 292 m/z 4.1% 0.00655% 787 1.2 52 7062 77915 77915 1-0 4: 292 220 293 294 0.750 14.62 -16.9 91 93 73 92 409 4.4 0.700 -0.254 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6149 1548.1 3.2 scans 85% 73 m/z 1.6% 0.0214% 811 1.4 91 17234 255081 241096 0-1 18: 73 292 147 220 293 205 117 217 103 294 221 319 74 148 133 291 149 130 0.965 14.69 -5.1 95 94 92 95 409 6.6 0.530 -0.077 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3904 1599.6 3.1 scans 78% 217 m/z 0.72% 0.0311% 884 1.4 105 40452 0.0317% 369586 345778 376599 0-1 9: 217 218 219 230 103 215 129 333 305 0.971 15.44 -3.4 97 97 94 96 393 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1120 Glutamic acid 15.5051 1607.5 2.5 scans 78% 246 m/z 2.2% 0.0101% 895 1.0 70 13037 120416 119269 0-1 9: 246 247 128 348 248 230 156 100 84 0.968 15.56 -3.8 96 96 89 95 363 7.1 1.027 -0.055 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1118 Phenylalanine 15.6082 1614.7 2.9 scans 63% 218 m/z 3.9% 0.00823% 905 1.2 58 7367 97855 89008 4-1 6: 218 192 219 100 266 220 0.931 15.66 -3.5 92 92 87 94 294 4.1 0.501 -0.051 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN TAB_REP6-N1038 Xylose 15.8976 1634.8 3.9 scans 71% 103 m/z 1.3% 0.0326% 932 1.8 97 21066 0.167% 387566 361442 1983977 1-0 12: 103 217 307 308 218 160 89 277 233 309 104 219 0.905 15.89 0.6 89 87 81 96 307 27.8 8.213 0.008 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN TAB_REP6-N1040 Xylose 16.0154 1642.9 3.1 scans 95% 73 m/z 0.29% 0.135% 944 1.1 234 100172 0.221% 1607988 1589353 2625502 1-1 20: 73 103 307 217 147 308 189 160 277 218 309 74 133 205 75 117 104 105 89 234 0.994 16.00 0.8 94 91 95 98 307 67.6 8.380 0.011 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN TAB_REP6-N1042 Ribose 16.1133 1649.7 3.2 scans 87% 73 m/z 1.1% 0.0316% 953 1.0 112 25230 0.201% 376212 355065 2387900 1-1 20: 73 103 307 217 147 308 189 160 277 218 309 133 89 104 205 74 219 105 75 117 0.988 16.10 0.7 96 94 95 98 307 33.0 8.720 0.010 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1110 Ribose 16.3258 1664.5 3.7 scans 62% 73 m/z (217) 2.3% 0.0187% 973 0.8 76 12228 0.0195% 223051 198884 231662 3-1 9: 73 103 307 308 189 147 160 277 309 0.954 16.38 -3.5 87 88 88 93 467 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1108 Ribose 16.3258 1664.5 3.7 scans 71% 73 m/z 1.9% 0.0191% 973 0.8 81 14790 0.0199% 227335 202704 236414 3-1 9: 73 103 307 308 189 147 160 277 309 0.887 16.38 -3.4 87 90 79 91 467 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6225 1685.1 3.8 scans 81% TIC 2.1% 0.0207% 1001 1.7 87 13625 0.0379% 246031 244141 450256 1-0 0.976 16.68 -3.7 97 97 94 98 497 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9487 1708.2 5.2 scans 68% TIC 2.1% 0.0180% 1032 1.0 87 13638 0.172% 214548 214548 2043377 0-0 0.971 16.99 -2.9 93 93 91 94 422 0.0 0.000 -0.040 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0108 1712.7 5.1 scans 76% TIC 1.0% 0.0459% 1038 1.4 123 27058 0.190% 546200 546200 2257219 0-0 0.943 17.06 -3.8 94 94 89 94 510 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1096 Putrescine 17.1970 1726.3 3.2 scans 45% 174 m/z 2.1% 0.00755% 1056 1.2 54 13615 89708 83261 1-1 8: 174 175 176 214 86 172 200 100 0.994 17.25 -3.7 96 96 95 96 458 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5779 1754.1 3.5 scans 95% 217 m/z 0.093% 0.302% 1092 1.2 332 312577 0.376% 3597035 3507813 4466918 3-2 20: 217 73 218 147 219 75 230 189 215 74 129 103 244 148 130 220 231 191 100 117 0.997 17.63 -3.9 93 91 94 94 450 29.8 0.805 -0.054 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7210 1764.5 3.5 scans 85% 334 m/z (217) 0.27% 0.200% 1106 0.8 260 107650 2380509 2239968 1-3 15: 334 204 256 335 255 375 336 167 166 285 211 241 67 95 195 0.999 17.70 1.6 90 89 91 96 375 28.9 1.235 0.022 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1082 Citric acid 18.2598 1804.0 4.4 scans 81% TIC 0.54% 0.114% 1157 1.5 180 53335 0.322% 1359455 1195815 3825392 0-9 0.971 18.32 -4.7 96 95 93 97 465 26.0 2.098 -0.061 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1076 Pregnane?? 18.8016 1845.4 9.9 scans 92% TIC 0.13% 0.458% 1208 1.1 330 208867 0.878% 5446798 5446137 10430729 1-0 0.998 18.86 -4.3 100 99 98 99 537 25.3 0.592 -0.056 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1074 Adenine 18.8932 1852.3 3.8 scans 3.4% 264 m/z 4.0% 0.00323% 1217 1.2 36 7184 0.00444% 38444 38444 52748 0-0 4: 264 279 265 266 0.964 18.94 -3.6 88 89 75 91 415 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1072 Fructose 19.0468 1864.1 >13 scans 96% TIC 0.012% 15.4% 1232 0.7 1248 2292514 30.0% 183135792 181452806 356403026 1-0 0.999 19.03 1.1 100 98 98 99 364 142.4 1.307 0.014 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1070 Fructose 19.2025 1875.9 >10 scans 94% 307 m/z 0.014% 11.3% 1247 0.2 1212 2052833 29.4% 135280423 135280423 349274966 0-0 5: 307 336 172 351 119 1.000 19.19 0.6 99 98 98 99 554 61.4 0.258 0.009 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN TAB_REP6-N1052 Fructose 19.2341 1878.3 >2 scans 96% 73 m/z 0.014% 3.28% 1250 2.9 1219 2021515 44.9% 39066136 38425143 533416530 0-3 20: 73 103 147 364 262 74 133 189 117 104 89 148 263 191 129 173 149 105 202 131 0.998 19.10 9.9 100 99 98 99 364 144.8 1.415 0.130 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1064 Mannose 19.3930 1890.5 14.7 scans 98% 319 m/z 0.012% 17.8% 1265 1.8 1307 2409795 211509997 207876838 1-1 18: 319 320 321 291 322 307 277 233 374 292 343 278 323 376 227 448 264 247 0.987 19.45 -4.7 100 99 97 99 319 508.4 15.183 -0.062 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1066 Glucose 19.3930 1890.5 14.7 scans 36% 319 m/z (73) 0.012% 6.78% 1265 1.8 800 2397192 80611776 79227087 1-1 18: 319 320 321 291 322 307 277 233 374 292 343 278 323 376 227 448 264 247 0.798 19.40 -0.4 87 92 57 92 319 511.2 41.033 -0.006 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN TAB_REP6-N1059 Glucose 19.6581 1911.3 5.1 scans 98% 73 m/z 0.011% 6.74% 1290 0.3 1323 2431989 80092616 79978443 1-0 20: 73 205 147 160 217 103 321 206 133 117 229 74 129 157 204 189 148 207 89 161 0.999 19.55 8.6 100 98 98 99 376 54.9 0.173 0.106 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1062 Glucose 19.6655 1911.9 5.3 scans 100% 319 m/z 0.012% 6.29% 1291 0.2 1276 2412244 74782698 74728695 1-0 20: 319 307 291 277 305 221 292 337 300 365 347 293 342 304 364 302 265 301 332 317 0.999 19.66 0.8 100 98 98 100 319 512.8 16.224 0.009 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN BRA4_R~2-N1010 Tyrosine 19.8728 1928.5 4.5 scans 25% 218 m/z 3.1% 0.00837% 1310 0.8 49 9311 0.00958% 99452 91975 113811 3-11 3: 218 280 220 0.768 19.82 4.4 82 83 74 87 382 6.1 1.513 0.055 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1056 Ascorbic acid 19.9433 1934.2 2.6 scans 63% 332 m/z 1.5% 0.0227% 1317 0.9 103 18790 0.0231% 270060 245222 274430 0-4 10: 332 333 359 334 345 449 331 361 398 260 0.967 19.99 -3.5 93 92 89 95 449 11.8 1.301 -0.043 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.3031 1963.1 2.6 scans 90% TIC 0.29% 0.0961% 1351 1.4 208 99358 1142300 1014337 3-2 0.986 20.41 -8.9 97 96 96 97 217 46.3 4.954 -0.111 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1052 Gluconic acid 2 20.5314 1981.5 2.9 scans 54% 319 m/z 3.1% 0.00969% 1373 0.9 75 9235 0.0246% 115135 115135 292250 0-0 6: 319 292 205 333 293 321 0.932 20.60 -5.2 87 88 80 87 613 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN WTF2-N1038 C16:0 21.1575 2033.2 2.8 scans 80% 313 m/z 2.7% 0.0158% 1432 1.4 82 10601 188454 179345 1-10 11: 313 117 132 75 145 314 129 55 118 315 69 0.957 20.62 44.9 86 92 89 95 328 9.4 1.299 0.541 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.7162 2080.2 7.3 scans 100% 432 m/z 0.013% 9.75% 1485 0.2 1336 2111435 115947673 115855056 1-0 8: 432 434 508 435 419 331 257 228 1.000 21.75 -2.7 100 99 99 99 507 100.0 0.563 -0.033 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1044 myo-Inositol 21.7310 2081.4 7.0 scans 20% 320 m/z (305) 0.046% 2.04% 1487 0.2 620 622577 24298741 24285594 1-0 20: 320 308 368 417 406 391 310 323 380 409 246 136 437 397 523 66 186 140 258 240 0.754 21.77 -3.0 89 97 71 94 612 35.8 0.334 -0.036 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN INOSIT~1-N1022 myo-Inositol 21.7310 2081.4 7.0 scans 8.7% 320 m/z (306) 0.11% 0.868% 1487 0.2 404 249342 10317228 10311646 1-0 20: 320 308 368 417 406 391 310 323 380 409 246 136 437 397 523 66 186 140 258 240 0.869 21.74 -0.9 85 92 66 91 507 100.5 6.182 -0.010 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1042 myo-Inositol 21.7383 2082.0 6.7 scans 85% 305 m/z (432) 0.014% 8.47% 1488 0.2 1299 2023594 100668325 99470953 1-0 20: 305 217 73 147 318 191 306 319 265 204 218 307 133 129 192 148 219 367 291 74 0.990 21.77 -3.1 95 96 97 98 318 330.2 6.480 -0.036 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1040 myo-Inositol 21.7383 2082.0 6.7 scans 51% 305 m/z (320 432) 0.015% 5.14% 1488 0.2 1012 1842762 61079040 60352553 1-0 20: 305 217 73 147 318 191 306 319 265 204 218 307 133 129 192 148 219 367 291 74 0.798 21.78 -3.6 89 95 95 95 378 12.1 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8762 2093.6 2.9 scans 95% 319 m/z 0.11% 0.406% 1501 0.9 403 250600 4834627 4418943 1-3 20: 319 73 205 147 320 217 103 262 321 206 117 204 74 229 157 133 148 89 129 263 0.999 21.93 -4.5 95 92 96 99 656 9.8 0.059 -0.054 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1032 trans-Caffeic acid 22.2055 2122.1 2.5 scans 94% 73 m/z 0.12% 0.359% 1532 1.2 425 232819 0.498% 4265226 4170795 5916290 1-0 20: 73 396 219 319 397 205 381 147 320 398 103 217 191 220 307 321 133 74 382 75 0.998 22.25 -3.9 94 91 89 98 396 142.6 11.259 -0.045 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6695 2162.7 3.5 scans 85% 204 m/z 1.3% 0.0219% 1576 1.1 91 22385 0.0530% 260247 249625 629645 6-0 12: 204 73 205 147 217 249 145 206 361 191 218 131 0.983 22.71 -3.8 97 96 97 98 518 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN WTF2-N1036 C18:0 23.3966 2227.4 2.9 scans 86% 341 m/z 3.2% 0.0131% 1645 1.8 74 9006 0.0143% 156595 153005 169885 0-3 10: 341 117 75 132 342 145 129 55 57 356 0.986 22.89 45.6 88 94 87 94 356 10.3 1.962 0.508 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN BRA4_R~2-N1006 Spermidine 23.5123 2238.0 2.8 scans 84% 144 m/z 3.3% 0.0159% 1656 1.0 86 8683 189772 182046 1-4 20: 144 73 174 116 156 160 172 86 170 142 157 100 175 201 145 186 214 154 130 59 0.990 23.51 0.3 96 93 96 99 490 7.4 0.730 0.003 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1237 2293.8 2.8 scans 84% 204 m/z 1.8% 0.0145% 1714 1.4 77 15902 0.0202% 172613 152571 239978 3-1 12: 204 73 147 337 217 205 103 206 129 219 361 338 0.985 24.01 10.3 92 91 91 93 490 0.0 0.000 0.114 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6508 2343.7 3.3 scans 94% 73 m/z 0.42% 0.154% 1764 0.6 220 67807 1832421 1752675 2-1 20: 73 147 331 191 217 421 262 307 205 103 319 332 305 422 308 259 333 376 192 218 0.998 24.65 0.1 99 98 98 100 466 13.7 0.390 0.001 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7434 2352.5 2.7 scans 92% 73 m/z 1.1% 0.0426% 1773 1.1 141 25951 0.145% 506669 495559 1722615 1-2 20: 73 217 204 147 292 375 305 103 218 219 451 205 275 293 376 129 233 333 306 206 0.993 24.81 -5.9 96 95 95 95 451 17.5 1.537 -0.062 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5321 2528.8 3.3 scans 78% TIC 2.0% 0.0297% 1943 1.5 105 14327 0.112% 353799 327691 1330571 0-2 0.949 26.57 -4.3 98 97 90 97 512 39.5 14.071 -0.041 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9057 2567.4 7.1 scans 61% TIC 4.7% 0.00287% 1979 1.1 47 6158 0.0165% 34161 34161 196022 0-0 0.942 26.39 52.8 82 91 70 90 459 8.8 3.571 0.512 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1020 Sucrose 27.4086 2620.0 11.4 scans 16% 437 m/z (361) 0.046% 1.90% 2026 1.7 501 625972 2.07% 22576535 21990160 24591809 1-0 18: 437 451 438 439 452 331 453 440 332 347 441 202 348 201 222 355 442 393 0.741 27.46 -5.6 93 94 61 99 437 247.5 24.475 -0.052 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1014 Sucrose 27.4149 2620.7 11.3 scans 87% 361 m/z 0.0090% 10.5% 2027 1.5 1180 3226314 11.4% 125122426 122389615 135433150 1-0 20: 361 362 363 319 364 291 317 333 259 220 293 233 139 185 322 463 156 289 223 377 1.000 27.49 -8.0 100 99 99 99 437 247.5 4.439 -0.075 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN TAB_REP6-N1070 Sucrose 27.4149 2620.7 11.3 scans 70% 361 m/z (437) 0.010% 8.58% 2027 1.5 1055 2736535 9.36% 101966229 99739174 111197744 1-0 20: 361 362 363 319 364 291 317 333 259 220 293 233 139 185 322 463 156 289 223 377 0.981 27.41 0.6 88 86 85 98 451 12.7 0.000 0.005 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1010 Sucrose 27.4286 2622.2 10.9 scans 94% 217 m/z 0.0089% 10.5% 2028 0.8 1233 3268586 12.4% 125305387 122639774 147313251 1-0 13: 217 169 218 243 331 189 148 229 133 215 130 193 366 1.000 27.58 -16.0 100 99 97 99 437 246.9 4.038 -0.150 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1016 Sucrose 27.4654 2626.1 >3 scans 56% 219 m/z (361) 0.015% 2.38% 2032 1.6 914 1830658 7.22% 28347456 28347456 85774328 0-0 12: 219 229 244 291 303 163 274 275 207 164 266 65 0.967 27.48 -1.2 88 91 94 93 437 14.8 0.000 -0.012 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1018 Sucrose 27.4654 2626.1 >3 scans 63% 219 m/z (73) 0.010% 2.71% 2032 1.6 975 2911264 8.22% 32258010 32258010 97654429 0-0 12: 219 229 244 291 303 163 274 275 207 164 266 65 0.980 27.47 -0.4 95 96 76 96 437 222.2 5.235 -0.005 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN LQC1-N1006 Trehalose 28.3829 2725.3 2.9 scans 79% 361 m/z 1.9% 0.0135% 2119 1.2 82 14940 0.0839% 161465 161349 996740 0-1 13: 361 362 191 363 217 271 147 243 169 129 192 331 450 0.991 28.47 -9.6 93 91 87 96 565 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN GUA35_L1-N1020 Galactinol 30.4789 2964.5 3.1 scans 37% 204 m/z (345) 1.8% 0.0168% 2318 1.0 80 15356 0.0316% 199999 182263 375411 3-5 14: 204 217 205 433 129 361 206 218 103 641 319 642 434 343 0.885 30.55 -7.9 89 92 78 93 641 9.8 1.498 -0.066 G:\GCMS data\Nicotiana Panel polar\N476_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7121 3110.9 6.3 scans 79% 204 m/z 3.1% 0.0239% 2435 3.0 62 9202 0.0607% 285083 250584 721122 4-6 7: 204 205 597 217 129 599 598 0.976 31.68 4.3 91 90 85 91 597 12.4 4.018 0.037 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN EXBLK5S-N1006 Contamination 6.6026 1062.0 2.7 scans 55% 207 m/z 1.5% 0.0265% 49 2.0 85 18219 0.0482% 290778 125195 528510 5-22 10: 207 295 208 296 209 191 297 279 193 192 0.959 6.63 -1.3 98 97 91 97 295 26.9 10.167 -0.022 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.8204 1074.9 12.1 scans 39% 117 m/z 6.5% 0.0108% 70 0.3 49 4450 0.0160% 118535 112084 175439 0-3 3: 117 147 190 0.928 6.82 -0.0 92 92 90 97 295 2.6 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN A-KETO~2-N1006 Contamination?? 7.9189 1140.0 2.8 scans 75% 156 m/z 2.3% 0.0113% 174 1.1 78 12494 0.0132% 124784 114812 144737 4-2 7: 156 75 55 157 158 54 76 0.982 7.96 -2.2 98 98 96 98 156 41.9 28.994 -0.038 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1192 Contamination 8.0009 1144.9 2.7 scans 78% 73 m/z 2.5% 0.0129% 182 1.0 90 11347 0.0216% 142107 140680 236843 2-0 19: 73 147 133 235 220 59 148 146 72 86 160 100 103 89 74 149 131 236 70 0.979 7.99 0.7 98 98 95 98 235 17.6 3.816 0.012 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN WTF2-N1026 Cadaverine NC 8.1903 1156.1 3.3 scans 43% 174 m/z 11% 0.00279% 200 1.4 30 2474 0.00312% 30681 19621 34211 1-3 1: 174 0.886 7.74 26.9 90 94 85 94 216 7.2 5.820 0.454 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1188 Contamination 8.3808 1167.4 4.9 scans 89% 281 m/z 0.87% 0.0558% 218 1.5 137 33418 0.0746% 612635 612635 817984 0-0 19: 281 147 369 73 282 283 265 370 249 371 207 148 266 191 250 284 193 267 372 0.999 8.41 -2.0 99 97 84 100 369 39.3 8.176 -0.034 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1190 Contamination 8.4618 1172.2 3.0 scans 71% 73 m/z 2.1% 0.0153% 226 1.1 87 13734 0.0310% 168218 160126 339913 0-2 20: 73 140 211 77 198 70 126 69 186 170 63 74 92 113 255 199 309 142 78 91 0.978 8.48 -1.3 94 93 90 96 309 8.5 0.966 -0.022 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1186 Phosphate 8.5565 1177.8 2.6 scans 87% 241 m/z 0.66% 0.0294% 235 1.1 128 43696 323299 310874 1-2 19: 241 242 163 211 133 256 243 135 195 137 59 212 134 98 119 181 121 165 225 0.986 8.56 -0.2 98 96 94 99 299 0.0 0.000 -0.005 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1184 Valine 9.1752 1214.3 4.1 scans 73% 144 m/z (156) 2.2% 0.0131% 294 0.6 67 12839 0.0180% 143876 130663 197369 6-8 7: 144 73 218 145 219 146 100 0.973 9.19 -0.7 94 95 90 97 218 20.0 8.933 -0.013 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1180 Benzoic acid 9.7402 1247.3 3.4 scans 61% 179 m/z 5.2% 0.00653% 347 1.1 51 5500 71597 62660 1-5 6: 179 105 135 77 194 180 0.866 9.76 -1.2 93 93 87 97 194 8.8 2.921 -0.019 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1178 Ethanolamine 10.0012 1262.6 4.1 scans 88% 174 m/z 0.82% 0.0393% 372 0.9 115 35248 0.205% 431410 401706 2247811 2-0 12: 174 73 175 100 59 133 130 262 114 188 74 101 0.993 10.03 -1.9 99 99 98 99 262 12.1 1.107 -0.033 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN VEN77_S6-N1002 Glycerol 10.0853 1267.5 2.9 scans 94% TIC 0.024% 0.863% 380 0.9 665 1190637 9468065 9300771 1-1 0.970 10.09 -0.5 100 99 98 100 299 408.5 37.942 -0.009 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LACTIC~1-N1034 Glycerol 10.0916 1267.9 3.8 scans 7.4% 147 m/z (299) 0.56% 0.0684% 381 1.0 157 51812 0.0755% 751049 697454 827852 1-3 6: 147 103 148 149 118 101 0.587 10.11 -1.1 89 97 59 94 293 11.6 0.542 -0.018 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2453 1276.9 2.8 scans 84% 73 m/z 0.94% 0.0253% 395 1.4 114 30912 278457 254989 1-2 18: 73 198 211 77 70 199 74 239 381 289 212 200 72 92 170 143 142 63 0.987 10.24 0.3 98 97 95 98 381 12.7 1.257 0.005 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1176 Isoleucine 10.4294 1287.7 3.3 scans 66% 158 m/z 2.6% 0.00807% 413 1.1 61 10825 0.00848% 88570 82514 92983 3-1 6: 158 73 159 218 232 160 0.957 10.46 -1.7 95 95 89 96 260 4.8 0.610 -0.030 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1174 Proline 10.5157 1292.7 3.0 scans 77% 142 m/z (180) 0.53% 0.0329% 421 1.0 122 54728 0.0642% 360914 319420 703949 5-0 9: 142 143 216 144 72 217 66 70 244 0.986 10.55 -1.7 96 97 96 98 142 87.6 51.836 -0.029 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN TAB_REP6-N1014 Maleic acid 10.6104 1298.3 2.8 scans 97% 147 m/z 0.033% 0.629% 430 0.7 573 858517 1.52% 6901733 6564332 16666698 2-5 20: 147 73 245 148 75 149 83 133 74 115 143 246 170 59 84 126 58 215 72 66 0.999 10.60 0.5 98 97 98 99 245 134.9 5.568 0.008 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1170 Glycine 10.6598 1301.2 3.8 scans 44% 174 m/z 1.5% 0.0107% 435 0.9 70 18535 0.0432% 118363 118363 473685 0-0 9: 174 248 175 86 276 176 249 250 100 1.000 10.69 -1.6 84 84 62 84 276 13.9 3.981 -0.027 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7503 1306.6 3.3 scans 94% 147 m/z 0.024% 1.07% 443 0.8 673 1202704 11771624 11337885 2-1 20: 147 73 251 76 148 149 58 132 252 74 133 177 176 150 118 59 253 62 134 72 0.976 10.76 -0.5 99 97 98 99 251 161.8 5.796 -0.008 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1168 Glyceric acid 11.0197 1322.9 2.5 scans 96% 73 m/z 0.11% 0.302% 469 0.9 422 251095 3319890 3099415 1-2 20: 73 147 292 189 133 103 293 205 102 190 117 148 307 74 75 294 59 149 191 101 0.999 11.05 -2.0 100 99 99 100 292 127.5 9.131 -0.034 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0765 1326.3 >3 scans 67% TIC 6.9% 0.00588% 474 1.3 59 4199 0.238% 64529 63910 2609654 0-1 0.978 11.06 0.8 96 97 90 97 285 17.7 9.096 0.014 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN TAB_REP6-N1018 Uracil 11.1396 1330.1 2.7 scans 68% 241 m/z 6.3% 0.00503% 480 1.4 51 4550 55160 53871 0-5 6: 241 99 255 256 113 242 0.949 11.15 -0.5 95 94 87 99 256 16.3 10.331 -0.008 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1164 Itaconic acid 11.2175 1334.8 2.6 scans 79% TIC 2.2% 0.00997% 488 0.7 72 12965 0.280% 109377 93007 3070181 0-2 0.973 11.25 -2.1 92 92 89 93 259 15.1 4.329 -0.035 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1162 Fumaric acid 11.3711 1344.0 2.8 scans 97% 245 m/z 0.044% 0.534% 502 0.8 527 647566 5861200 5746390 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 74 84 155 53 157 59 58 61 0.999 11.39 -1.3 100 99 98 99 245 301.3 32.829 -0.022 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4606 1349.4 >3 scans 83% TIC 1.6% 0.0170% 511 1.0 93 17582 0.678% 186435 186435 7434224 0-0 0.986 11.45 0.9 93 90 96 98 145 26.1 7.859 0.015 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1160 Serine 11.5090 1352.3 2.7 scans 96% TIC 0.14% 0.233% 515 1.0 350 197884 0.248% 2554973 2451436 2719303 0-1 0.999 11.56 -2.9 100 99 99 100 306 36.1 1.066 -0.048 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN BRA4_R~2-N1008 Thymine 11.5921 1357.3 2.8 scans 41% 255 m/z 12% 0.00116% 523 1.5 24 2390 12786 12786 0-0 3: 255 270 256 0.945 11.58 0.5 95 97 85 97 270 9.5 15.432 0.008 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7278 1365.5 3.5 scans 70% TIC 2.9% 0.0112% 536 0.8 77 9811 0.0156% 123028 123028 171053 0-0 0.893 11.79 -3.4 86 84 89 95 262 8.9 1.335 -0.057 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN TAB_REP6-N1024 Threonine 11.9162 1376.8 2.8 scans 90% TIC 1.0% 0.0383% 554 1.4 139 26997 0.0386% 420819 385364 423246 6-7 0.979 11.92 -0.3 99 99 98 99 320 13.4 0.925 -0.005 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1148 Glutamine?? 13.2998 1462.9 2.9 scans 80% 155 m/z 0.84% 0.0287% 686 1.0 117 34556 0.0300% 315155 286617 328948 1-7 11: 155 156 229 139 59 100 230 84 72 257 56 0.988 13.35 -3.0 98 98 96 97 257 9.5 0.660 -0.047 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1146 Malic acid 13.6060 1482.2 5.5 scans 98% 73 m/z 0.010% 6.59% 715 0.2 1355 2736579 72360811 70166926 1-1 20: 73 147 233 245 189 133 190 148 75 191 175 335 74 234 101 149 55 217 265 307 1.000 13.62 -0.6 100 100 100 100 350 36.7 0.074 -0.011 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1144 Contamination Parabanica acid 13.7659 1492.2 3.2 scans 35% 115 m/z 15% 0.00208% 730 1.4 32 1885 0.00324% 22872 22872 35526 0-0 4: 115 243 100 128 0.893 13.81 -2.6 82 85 61 85 243 15.8 23.640 -0.040 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1140 Aspartic acid 14.0279 1509.2 2.5 scans 50% 232 m/z (156) 0.41% 0.0613% 755 1.1 183 69478 672529 634549 1-2 15: 232 233 218 100 234 202 188 216 334 204 292 221 130 349 203 0.932 14.09 -3.9 94 97 90 97 349 11.3 0.384 -0.059 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0279 1509.2 2.5 scans 35% 232 m/z 0.41% 0.0420% 755 1.1 153 69395 460957 434926 1-2 15: 232 233 218 100 234 202 188 216 334 204 292 221 130 349 203 0.857 14.02 0.7 92 92 87 97 258 5.6 0.000 0.011 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0553 1511.0 3.1 scans 88% 156 m/z 0.11% 0.207% 757 0.7 307 256736 2269907 2231361 1-0 16: 156 147 157 230 258 158 259 231 148 72 140 121 58 112 260 86 0.978 14.11 -3.7 99 99 98 99 273 13.4 0.189 -0.055 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1134 GABA 14.1963 1520.4 >3 scans 69% TIC 2.5% 0.0148% 771 0.8 86 11303 0.308% 162625 160087 3377199 4-0 0.970 14.24 -3.0 84 82 85 89 304 23.8 7.702 -0.046 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3394 1529.9 2.8 scans 21% 239 m/z 10% 0.00211% 784 0.9 33 2886 23181 23181 0-0 5: 239 342 343 240 174 0.899 14.37 -2.3 84 85 47 88 342 15.7 22.040 -0.035 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6129 1548.0 2.8 scans 89% TIC 0.88% 0.0418% 810 1.3 146 32875 459241 441597 0-1 0.977 14.69 -5.2 98 97 95 98 409 11.0 0.564 -0.079 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3873 1599.4 2.9 scans 77% 217 m/z 0.72% 0.0226% 884 1.1 123 40337 0.0404% 248070 248070 442983 0-0 17: 217 73 218 219 147 129 103 215 230 133 189 74 333 243 220 148 149 0.978 15.44 -3.6 97 97 95 97 393 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1120 Glutamic acid 15.5042 1607.4 2.5 scans 79% 246 m/z 1.9% 0.0120% 895 1.0 85 14960 132341 132096 0-1 11: 246 247 128 348 156 248 230 100 84 363 56 0.981 15.56 -3.9 96 96 91 96 363 9.6 1.270 -0.056 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1118 Phenylalanine 15.6073 1614.6 2.7 scans 63% 218 m/z 2.6% 0.0114% 905 1.1 79 10982 125971 118276 1-2 6: 218 192 219 100 266 220 0.974 15.66 -3.6 92 92 87 94 294 6.1 0.601 -0.052 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN TAB_REP6-N1042 Ribose 15.8945 1634.5 3.3 scans 84% 73 m/z (204) 1.0% 0.0476% 932 2.0 131 26563 0.0673% 522875 511706 737940 9-0 20: 73 103 217 307 147 308 277 218 189 160 104 89 309 74 219 233 129 133 105 190 0.984 16.10 -14.5 89 90 92 95 307 36.6 7.751 -0.208 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN TAB_REP6-N1038 Xylose 15.8945 1634.5 3.3 scans 83% 73 m/z 1.0% 0.0450% 932 2.0 130 28200 0.0637% 494487 483924 698466 9-0 20: 73 103 217 307 147 308 277 218 189 160 104 89 309 74 219 233 129 133 105 190 0.955 15.89 0.3 90 86 87 97 307 34.9 7.134 0.005 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN TAB_REP6-N1040 Xylose 16.0113 1642.7 2.9 scans 95% 73 m/z 0.26% 0.150% 943 1.1 277 108377 1645131 1644016 0-1 20: 73 103 217 307 147 308 189 160 218 277 133 74 104 309 75 205 117 204 219 89 0.995 16.00 0.6 94 91 94 98 307 78.8 8.071 0.007 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1108 Ribose 16.1092 1649.5 3.0 scans 88% 73 m/z 0.91% 0.0437% 953 1.1 147 31705 0.181% 479503 459528 1984653 1-1 20: 73 103 307 217 147 277 189 308 218 160 309 133 74 205 104 117 89 105 219 204 0.989 16.38 -18.4 95 93 94 97 467 0.0 0.000 -0.266 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.2302 1657.9 4.2 scans 67% TIC 3.6% 0.00463% 964 1.3 54 8038 0.249% 50821 50821 2730268 0-0 0.944 16.28 -3.2 80 73 72 97 392 8.0 2.171 -0.046 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1110 Ribose 16.3238 1664.4 3.0 scans 49% 103 m/z (217) 2.9% 0.0131% 973 0.8 77 9784 0.0343% 143819 128702 376097 3-1 9: 103 307 308 189 160 105 104 309 233 0.890 16.38 -3.6 85 88 84 92 467 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6184 1684.8 3.2 scans 85% TIC 1.5% 0.0301% 1001 1.8 121 18853 0.0426% 331010 331010 467106 0-0 0.993 16.68 -4.0 99 98 96 98 497 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9341 1707.1 3.2 scans 92% 73 m/z 0.19% 0.260% 1031 1.2 355 152248 0.407% 2853689 2853689 4462728 0-0 20: 73 217 147 103 307 205 319 218 129 204 189 308 320 133 243 206 148 74 277 191 0.983 16.99 -4.0 95 94 96 94 422 14.9 0.175 -0.055 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0056 1712.3 4.4 scans 80% TIC 0.83% 0.0683% 1038 1.5 163 35037 0.445% 749029 749029 4879395 0-0 0.955 17.06 -4.2 96 96 91 96 510 3.1 0.035 -0.056 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1096 Putrescine 17.1940 1726.1 3.1 scans 35% 174 m/z 2.4% 0.00711% 1056 1.2 57 12102 77957 75544 1-1 7: 174 175 214 176 172 200 86 0.983 17.25 -3.9 95 95 94 96 458 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5749 1753.9 3.0 scans 94% 217 m/z 0.088% 0.309% 1092 1.1 384 329745 0.880% 3397637 3229526 9649141 4-2 20: 217 73 218 147 219 75 230 215 189 74 244 129 103 450 231 133 191 148 220 130 0.999 17.63 -4.1 93 91 94 94 450 33.5 0.763 -0.057 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7138 1764.0 3.1 scans 75% 334 m/z (217) 0.28% 0.222% 1105 0.9 312 102200 2435511 2222899 2-3 15: 334 204 256 335 255 375 336 167 211 285 183 166 267 376 151 0.994 17.70 1.1 91 92 91 97 375 37.3 1.423 0.015 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1086 Fructofuranose 18.0747 1790.3 4.4 scans 43% 217 m/z (145) 1.9% 0.0295% 1139 1.6 98 14948 0.0576% 323705 323705 631580 0-0 10: 217 437 316 438 392 439 218 219 257 317 0.923 18.13 -4.3 84 86 81 91 437 26.8 7.441 -0.059 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1082 Citric acid 18.2546 1803.6 4.1 scans 82% TIC 0.45% 0.136% 1156 1.4 227 64318 0.357% 1500454 1429845 3914481 0-4 0.973 18.32 -5.1 98 97 95 98 465 34.3 2.275 -0.066 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1076 Pregnane?? 18.7986 1845.1 7.5 scans 93% 345 m/z 0.11% 0.770% 1208 2.0 410 252333 0.814% 8453020 8308928 8925455 3-1 20: 345 73 346 255 147 347 334 204 256 191 419 257 148 348 75 335 149 436 538 313 0.999 18.86 -4.6 100 99 99 100 537 31.2 0.582 -0.059 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1074 Adenine 18.8901 1852.1 3.7 scans 15% 264 m/z 3.8% 0.00408% 1217 1.3 43 7588 0.00492% 44781 44781 53947 0-0 4: 264 279 265 266 0.988 18.94 -3.8 87 88 74 88 415 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN TAB_REP6-N1050 Fructose 19.0206 1862.1 12.5 scans 98% 217 m/z 0.013% 11.5% 1229 0.7 1381 2157447 25.9% 126988473 123966050 283991762 1-0 20: 217 147 308 218 309 205 74 189 117 89 191 148 172 129 365 291 204 310 263 190 1.000 18.98 3.1 100 99 99 99 364 160.2 1.352 0.041 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1072 Fructose 19.0595 1865.0 >4 scans 74% 172 m/z 0.020% 2.68% 1233 3.7 1139 1391235 17.4% 29476624 29476624 190789832 0-0 19: 172 173 105 119 190 135 132 90 276 367 208 233 70 220 464 61 247 311 255 0.999 19.03 2.0 99 98 98 99 364 137.5 1.463 0.027 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN TAB_REP6-N1052 Fructose 19.1490 1871.9 10.4 scans 98% 201 m/z 0.016% 10.9% 1241 2.2 1297 1762486 23.5% 119909614 116514011 257675923 0-1 20: 201 554 310 174 466 555 465 170 300 288 134 177 448 90 332 118 367 116 256 222 0.999 19.10 3.5 100 99 98 99 364 157.3 1.477 0.045 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1070 Fructose 19.1984 1875.6 >4 scans 47% 204 m/z (73) 0.020% 2.12% 1246 3.3 900 1392299 22.1% 23314965 23314965 242325017 0-0 20: 204 191 172 350 305 134 143 245 192 145 135 523 318 230 358 88 433 312 115 87 0.889 19.19 0.3 83 85 48 85 554 0.0 0.000 0.004 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN TAB_REP6-N1056 Glucose 19.3678 1888.5 14.4 scans 81% 291 m/z 0.013% 5.68% 1262 0.3 1301 2238081 15.0% 62355085 60344687 164473993 1-0 15: 291 234 376 262 293 244 366 308 278 220 243 275 175 301 259 1.000 19.33 2.7 100 99 99 99 364 94.3 0.527 0.036 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1064 Mannose 19.4036 1891.3 >13 scans 92% 147 m/z 0.012% 16.3% 1266 0.7 1423 2290816 18.1% 179522271 175353119 198465285 1-0 6: 147 157 131 105 201 210 0.999 19.45 -3.9 100 99 98 99 319 566.7 15.927 -0.051 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1066 Glucose 19.4593 1895.5 >3 scans 20% 220 m/z (103) 0.020% 0.799% 1271 1.0 646 1389756 4.25% 8769811 8769811 46600965 0-0 20: 220 466 336 235 390 465 393 330 212 391 359 377 468 248 294 241 432 405 378 280 0.658 19.40 4.6 85 93 43 89 319 441.4 47.079 0.060 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN TAB_REP6-N1059 Glucose 19.6456 1910.3 4.7 scans 96% 73 m/z 0.011% 6.85% 1289 0.3 1505 2451782 75173063 72637090 2-1 20: 73 319 205 147 160 320 217 103 321 206 133 117 229 157 74 129 204 189 89 148 0.998 19.55 7.6 100 99 98 99 376 62.6 0.174 0.094 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1056 Ascorbic acid 19.9339 1933.4 2.7 scans 59% 332 m/z 1.7% 0.0234% 1316 1.0 114 16998 0.0351% 257092 228889 384869 4-4 12: 332 333 334 289 374 143 359 449 345 260 361 258 0.955 19.99 -4.3 85 83 83 90 449 11.4 0.998 -0.052 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.3001 1962.9 2.7 scans 92% TIC 0.23% 0.131% 1351 1.4 266 121986 1443390 1336259 1-2 0.994 20.41 -9.1 98 96 97 98 217 59.0 4.942 -0.114 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN WTF2-N1038 C16:0 21.1544 2033.0 2.7 scans 82% TIC 2.3% 0.0207% 1432 1.1 102 12597 227333 182896 1-13 0.966 20.62 44.7 88 93 91 96 328 12.1 1.404 0.537 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.7058 2079.3 6.6 scans 98% 507 m/z 0.015% 8.74% 1484 0.7 1441 1933691 95851740 95588840 1-0 15: 507 434 419 370 421 418 396 380 162 408 511 330 199 186 258 0.999 21.75 -3.6 100 99 99 99 507 114.0 0.628 -0.043 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1042 myo-Inositol 21.7184 2080.4 5.7 scans 84% 73 m/z (507) 0.015% 7.61% 1486 0.3 1427 1875727 83484277 78240868 1-1 20: 73 305 217 147 318 191 306 319 265 204 218 307 432 133 129 320 192 367 74 148 0.991 21.77 -4.7 95 95 97 98 318 347.0 5.929 -0.056 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8699 2093.1 2.9 scans 96% 319 m/z 0.10% 0.466% 1500 1.1 475 278492 5117136 4980495 1-1 20: 319 73 205 147 320 217 103 321 262 206 117 204 229 133 74 263 148 157 89 149 0.999 21.93 -5.0 95 93 96 99 656 10.4 0.048 -0.060 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2014 2121.8 2.6 scans 69% 396 m/z (262) 0.13% 0.257% 1532 0.9 370 210852 0.331% 2821881 2821881 3629393 0-0 20: 396 219 73 397 319 381 205 398 147 220 191 307 320 103 382 217 249 293 75 74 0.963 22.19 1.3 93 95 86 96 396 171.9 21.635 0.015 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6685 2162.6 3.2 scans 87% 204 m/z 1.0% 0.0297% 1576 1.2 117 28613 0.0700% 326338 308682 767545 1-0 19: 204 73 205 147 217 206 145 361 117 191 218 219 74 362 129 148 103 133 149 0.996 22.71 -3.9 96 94 96 98 518 0.0 0.000 -0.045 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN WTF2-N1036 C18:0 23.3956 2227.3 3.0 scans 83% 341 m/z 3.7% 0.0148% 1645 1.8 80 7767 0.0171% 163037 149900 187500 1-2 13: 341 117 132 145 342 75 129 57 55 356 69 343 118 0.980 22.89 45.5 88 94 88 94 356 11.4 2.022 0.507 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN BRA4_R~2-N1006 Spermidine 23.5093 2237.7 2.7 scans 86% 144 m/z 2.7% 0.0209% 1656 0.9 107 10654 0.0231% 229310 220432 253290 6-1 20: 144 174 73 116 156 160 86 172 170 100 201 142 175 157 214 130 128 145 59 158 0.976 23.51 -0.0 96 94 96 100 490 9.9 0.849 0.000 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1227 2293.8 2.6 scans 74% 204 m/z 3.3% 0.00696% 1714 1.5 62 8757 76411 76390 0-1 4: 204 337 205 103 0.960 24.01 10.3 86 85 85 89 490 0.0 0.000 0.113 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6509 2343.7 3.3 scans 94% 73 m/z 0.36% 0.199% 1764 0.5 271 80582 2190757 2143444 1-1 20: 73 331 147 191 217 421 262 307 103 205 332 319 259 333 305 422 308 192 376 148 0.995 24.65 0.1 99 97 99 100 466 16.3 0.361 0.001 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7445 2352.6 2.7 scans 92% 73 m/z 1.1% 0.0430% 1773 1.2 155 24634 472373 463060 1-1 20: 73 217 204 147 292 305 375 103 219 451 205 218 233 293 133 129 376 148 74 363 0.995 24.81 -5.8 96 95 95 95 451 18.8 1.486 -0.060 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5322 2528.8 3.9 scans 74% TIC 1.8% 0.0362% 1943 1.6 119 15550 0.145% 397343 385317 1589915 0-1 0.974 26.57 -4.3 97 97 88 97 512 44.7 14.038 -0.041 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN WTF2-N1032 Sucrose 26.6490 2540.9 2.8 scans 62% TIC 13% 0.00282% 1954 1.2 41 2108 31024 26951 1-1 0.934 26.87 -22.8 80 83 73 84 451 3.9 0.921 -0.221 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9079 2567.7 4.3 scans 65% TIC 4.2% 0.00391% 1979 0.9 57 6834 0.0184% 42948 42948 201755 0-0 0.970 26.39 53.1 83 91 75 91 459 9.6 2.818 0.514 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1020 Sucrose 27.4087 2620.0 11.5 scans 10% 437 m/z (361) 0.052% 1.38% 2026 1.8 447 558880 15165425 14970201 1-1 17: 437 438 439 452 453 440 292 175 435 119 150 333 185 463 375 468 194 0.679 27.46 -5.6 96 98 98 99 437 279.9 39.386 -0.052 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1010 Sucrose 27.4087 2620.0 11.5 scans 100% 437 m/z 0.0090% 13.5% 2026 1.8 1417 3233010 148352019 146442290 1-1 17: 437 438 439 452 453 440 292 175 435 119 150 333 185 463 375 468 194 0.997 27.58 -18.2 100 99 98 99 437 278.4 3.887 -0.170 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1018 Sucrose 27.4171 2620.9 11.1 scans 50% 361 m/z (73) 0.0089% 7.15% 2027 1.4 1011 3260279 78502652 76332575 1-1 20: 361 362 363 319 191 320 231 157 155 259 365 321 131 257 345 247 293 115 192 85 0.857 27.47 -5.6 92 95 57 93 437 279.9 7.723 -0.053 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1014 Sucrose 27.4213 2621.4 11.0 scans 91% TIC 0.0090% 11.2% 2028 1.0 1365 3226011 13.0% 123331391 120162261 142544128 1-0 1.000 27.49 -7.3 100 99 99 100 437 276.6 4.141 -0.069 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1008 Sucrose 27.4729 2626.9 10.5 scans 77% 73 m/z 0.015% 2.25% 2033 2.0 1221 1832025 9.73% 24732723 23202924 106688797 0-1 20: 73 217 147 103 129 169 271 74 218 243 75 319 191 133 117 148 219 149 229 230 0.959 27.59 -12.6 95 98 88 95 437 158.8 0.000 -0.118 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1016 Sucrose 27.4729 2626.9 10.5 scans 52% 73 m/z (204) 0.015% 1.60% 2033 2.0 1010 1833694 6.94% 17646550 16555053 76096634 0-1 20: 73 217 147 103 129 169 271 74 218 243 75 319 191 133 117 148 219 149 229 230 0.981 27.48 -0.4 87 88 94 91 437 15.5 0.000 -0.004 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN TAB_REP6-N1070 Sucrose 27.4729 2626.9 10.5 scans 70% 73 m/z (437) 0.015% 2.15% 2033 2.0 1169 1833694 9.31% 23659090 22195698 102083525 0-1 20: 73 217 147 103 129 169 271 74 218 243 75 319 191 133 117 148 219 149 229 230 0.997 27.41 6.8 87 85 63 97 451 12.6 0.000 0.063 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN LQC1-N1006 Trehalose 28.3841 2725.4 2.9 scans 81% 361 m/z 1.9% 0.0154% 2119 1.2 96 15132 0.0855% 168881 168127 937502 0-1 15: 361 73 362 217 191 363 147 271 169 243 331 450 192 148 189 0.998 28.47 -9.5 92 90 87 95 565 0.0 0.000 -0.084 G:\GCMS data\Nicotiana Panel polar\N476_REP3.FIN GUA35_L1-N1020 Galactinol 30.4769 2964.2 3.1 scans 29% 204 m/z (345) 2.7% 0.0110% 2318 1.1 71 10683 0.0314% 121406 111273 344299 2-4 11: 204 217 205 218 129 361 206 192 433 641 343 0.778 30.55 -8.2 89 93 71 92 641 8.6 1.468 -0.068 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN EXBLK5S-N1006 Contamination 6.3499 1047.0 3.5 scans 58% 207 m/z 1.6% 0.0342% 25 1.5 80 17748 356019 191008 13-7 9: 207 295 208 296 209 191 297 279 193 0.954 6.63 -16.3 97 97 89 97 295 25.7 10.372 -0.275 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8391 1076.0 >11 scans 37% 117 m/z 6.2% 0.0113% 71 0.3 44 4638 0.0345% 117982 116230 358716 0-2 5: 117 147 73 191 190 0.922 6.82 1.1 91 90 87 98 295 2.3 0.000 0.018 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1194 Alanine 7.4031 1109.4 11.0 scans 54% 116 m/z 3.1% 0.0202% 125 0.8 51 9060 0.0249% 210431 210431 258899 0-0 1: 116 0.867 7.40 -0.1 92 93 85 93 283 4.5 0.780 -0.001 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9334 1140.9 3.1 scans 69% 156 m/z 2.7% 0.0114% 175 1.1 67 10496 0.0127% 118951 103760 132049 8-2 8: 156 75 55 157 54 158 61 76 0.974 7.96 -1.3 98 98 96 98 156 36.6 29.660 -0.024 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1192 Contamination 8.0134 1145.6 2.8 scans 78% 73 m/z 2.8% 0.0159% 183 1.2 80 10285 0.0205% 165874 138240 213150 1-5 16: 73 147 133 235 220 146 59 86 103 72 100 148 89 74 149 131 0.979 7.99 1.4 96 96 93 96 235 15.4 3.723 0.024 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1188 Contamination 8.3806 1167.4 5.4 scans 80% TIC 3.0% 0.0181% 218 2.0 71 9515 0.0465% 188877 186689 483487 3-0 0.994 8.41 -2.0 98 98 83 99 369 20.5 8.392 -0.034 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1190 Contamination 8.4816 1173.4 3.3 scans 72% 73 m/z 2.4% 0.0127% 228 1.4 73 11683 0.0222% 132268 132268 230826 0-0 14: 73 140 211 198 77 186 69 70 126 113 215 74 92 142 0.979 8.48 -0.1 96 96 93 96 309 6.5 0.799 -0.002 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1186 Phosphate 8.5658 1178.4 2.7 scans 64% 241 m/z 2.5% 0.00899% 236 1.2 64 11265 93480 88113 1-2 10: 241 242 163 211 243 256 133 135 195 212 0.922 8.56 0.4 90 88 83 96 299 0.0 0.000 0.005 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1184 Valine 9.1803 1214.6 4.5 scans 71% 144 m/z (156) 2.6% 0.0118% 294 0.5 57 10752 0.0171% 123294 115475 177798 3-6 5: 144 73 218 145 219 0.966 9.19 -0.4 94 96 90 96 218 17.1 8.940 -0.008 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1180 Benzoic acid 9.7485 1247.8 3.3 scans 59% 179 m/z 6.0% 0.00636% 348 0.9 47 4779 66225 57745 2-3 5: 179 105 135 77 180 0.827 9.76 -0.7 95 96 89 97 194 7.2 2.364 -0.011 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1178 Ethanolamine 9.9979 1262.4 4.7 scans 68% TIC 2.5% 0.00933% 372 1.5 62 11511 0.924% 97022 97022 9607345 0-0 0.959 10.03 -2.1 96 96 91 97 262 6.7 1.162 -0.036 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN VEN77_S6-N1002 Glycerol 10.0968 1268.2 3.1 scans 96% 299 m/z 0.019% 1.22% 381 0.7 714 1485203 12776313 12268828 1-1 20: 299 300 73 314 301 133 211 283 315 207 193 191 302 316 135 225 298 74 284 181 0.993 10.09 0.2 100 99 95 100 299 435.2 37.428 0.003 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2525 1277.3 2.9 scans 79% 73 m/z 1.3% 0.0190% 396 1.5 88 22081 0.0196% 197638 176259 203792 1-3 15: 73 198 211 77 199 70 74 239 212 143 381 289 72 200 63 0.969 10.24 0.7 97 96 91 96 381 9.4 1.123 0.012 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1176 Isoleucine 10.4335 1287.9 3.2 scans 66% 158 m/z 2.2% 0.0103% 413 1.1 61 12652 0.0105% 107609 95835 109174 2-6 7: 158 218 159 232 160 219 100 0.963 10.46 -1.5 97 97 89 97 260 4.0 0.435 -0.026 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1174 Proline 10.5197 1293.0 3.4 scans 50% 142 m/z (180) 1.2% 0.0140% 421 1.2 67 23286 0.0442% 146056 128778 459572 5-0 5: 142 143 216 144 66 0.984 10.55 -1.4 85 89 85 90 142 54.5 65.361 -0.025 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN TAB_REP6-N1014 Maleic acid 10.6229 1299.0 3.2 scans 97% 147 m/z 0.022% 1.14% 431 0.5 665 1274684 11857606 11541769 1-1 20: 147 73 245 148 75 149 83 133 74 246 143 115 84 170 59 126 58 215 72 66 1.000 10.60 1.2 98 96 98 98 245 155.9 5.519 0.021 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1170 Glycine 10.6639 1301.4 4.2 scans 53% 174 m/z (147) 2.9% 0.0120% 435 0.8 58 9957 0.0157% 125336 117820 163242 2-0 2: 174 276 0.975 10.69 -1.4 83 85 63 87 276 10.2 3.072 -0.023 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7554 1307.0 3.1 scans 94% TIC 0.024% 1.08% 444 0.9 638 1180483 11239059 10760269 1-4 0.973 10.76 -0.1 99 98 98 99 251 147.6 5.377 -0.003 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1168 Glyceric acid 11.0206 1322.9 2.6 scans 95% 73 m/z 0.29% 0.129% 469 1.1 246 99377 1348515 1217789 5-4 20: 73 147 189 292 133 103 205 293 102 117 190 148 75 307 74 294 59 149 101 191 0.996 11.05 -2.0 99 98 97 100 292 70.8 8.279 -0.033 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0848 1326.8 2.8 scans 72% TIC 5.4% 0.00676% 475 0.9 62 5287 0.104% 70285 70285 1081346 0-0 0.964 11.06 1.3 95 95 91 98 285 18.5 9.023 0.022 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN TAB_REP6-N1018 Uracil 11.1426 1330.3 2.9 scans 63% 241 m/z 8.2% 0.00484% 481 1.5 45 3508 0.00845% 50342 44937 87859 1-0 6: 241 255 256 99 147 242 0.968 11.15 -0.3 94 94 85 99 256 14.6 10.398 -0.005 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1164 Itaconic acid 11.2216 1335.0 2.7 scans 72% 147 m/z 3.1% 0.00792% 488 1.0 62 9162 0.00912% 82387 76051 94826 1-2 6: 147 259 148 215 97 149 0.954 11.25 -1.9 87 87 84 89 259 12.6 4.184 -0.030 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1162 Fumaric acid 11.3868 1345.0 2.6 scans 97% 245 m/z 0.024% 1.02% 504 0.5 680 1204152 10642910 10038766 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 155 74 84 53 157 58 61 217 1.000 11.39 -0.3 99 98 98 99 245 391.9 33.355 -0.006 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4646 1349.6 >3 scans 83% TIC 1.6% 0.0129% 511 0.8 87 17520 1.11% 134372 134372 11541291 0-0 0.987 11.45 1.1 91 88 96 99 145 23.5 7.258 0.019 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1160 Serine 11.5120 1352.5 2.7 scans 96% TIC 0.15% 0.244% 516 0.9 333 188370 1.28% 2544583 2408324 13308876 0-1 0.999 11.56 -2.7 100 99 98 99 306 33.6 1.018 -0.045 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN TAB_REP6-N1022 Thymine 11.5982 1357.7 2.9 scans 63% 255 m/z 3.1% 0.00551% 524 1.0 49 9084 57311 56960 0-2 7: 255 270 256 257 269 271 120 0.950 11.60 -0.1 98 98 89 99 270 17.2 12.308 -0.001 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN TAB_REP6-N1024 Threonine 11.9192 1377.0 2.8 scans 89% TIC 1.1% 0.0369% 554 1.2 127 24910 0.0401% 383776 371480 416942 3-2 0.974 11.92 -0.1 99 99 98 99 320 11.3 0.789 -0.002 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2870 1462.1 >1 scans 56% TIC 5.0% 0.00390% 684 1.0 68 5742 0.0683% 40625 40625 710153 0-0 0.985 13.31 -1.2 93 93 86 93 349 8.9 1.731 -0.019 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1148 Glutamine?? 13.3133 1463.7 2.9 scans 74% 155 m/z (247) 1.2% 0.0207% 687 0.8 90 22950 0.0224% 215768 191191 232905 0-8 8: 155 156 229 139 318 100 157 84 0.987 13.35 -2.2 91 90 93 97 257 7.1 0.627 -0.034 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1146 Malic acid 13.6269 1483.5 7.1 scans 98% 73 m/z 0.0093% 9.51% 717 0.2 1359 3103189 98967606 97398696 1-0 20: 73 147 233 245 133 189 190 148 75 175 191 335 74 101 149 55 234 265 217 59 1.000 13.62 0.7 100 99 99 100 350 35.3 0.068 0.010 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7984 1494.3 4.6 scans 29% 243 m/z 13% 0.00274% 733 0.7 34 2095 0.116% 28494 28494 1206117 0-0 6: 243 115 100 116 128 117 0.846 13.81 -0.5 84 87 65 86 243 14.8 19.153 -0.008 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0309 1509.4 2.3 scans 40% 232 m/z 0.61% 0.0269% 755 1.5 119 47311 280697 275345 0-2 12: 232 218 233 188 234 202 334 219 216 220 292 203 0.991 14.02 0.9 91 90 88 94 258 4.1 0.000 0.014 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0667 1511.8 3.1 scans 93% 156 m/z 0.10% 0.251% 758 0.6 308 266434 2617757 2577746 1-0 18: 156 73 147 157 230 258 305 158 74 259 148 231 59 140 72 58 121 86 0.992 14.11 -2.9 94 90 96 100 273 12.5 0.164 -0.043 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1134 GABA 14.1993 1520.6 >3 scans 83% TIC 0.96% 0.0382% 771 1.2 126 30008 0.146% 397890 397890 1518044 0-0 0.996 14.24 -2.8 96 94 94 97 304 36.6 8.523 -0.043 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3718 1532.0 4.4 scans 76% TIC 1.1% 0.0457% 787 0.8 111 25022 0.134% 475976 448478 1393273 0-1 0.867 14.62 -16.6 93 93 88 94 409 6.6 0.356 -0.249 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6149 1548.1 2.8 scans 81% 73 m/z 1.6% 0.0221% 810 1.1 98 17456 0.0284% 230173 201525 295291 0-2 16: 73 292 147 205 220 117 294 103 148 133 221 74 319 291 130 102 0.989 14.69 -5.1 92 90 87 94 409 6.5 0.445 -0.077 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3872 1599.4 2.9 scans 75% 217 m/z 0.88% 0.0185% 884 1.2 104 32671 0.0345% 192644 192644 358716 0-0 12: 217 73 218 219 103 215 230 129 133 189 74 333 0.972 15.44 -3.6 95 95 93 96 393 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1120 Glutamic acid 15.5051 1607.5 2.5 scans 75% TIC 2.7% 0.00917% 895 0.7 70 10669 0.0451% 95350 95350 468930 0-0 0.987 15.56 -3.8 95 95 90 95 363 7.6 1.204 -0.055 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1118 Phenylalanine 15.6113 1614.9 >3 scans 84% TIC 2.2% 0.0162% 905 0.7 88 12833 0.0571% 168516 159543 593701 1-0 0.966 15.66 -3.3 96 95 92 97 294 6.4 0.524 -0.048 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN TAB_REP6-N1042 Ribose 15.8944 1634.5 6.2 scans 77% 73 m/z (204) 1.3% 0.0305% 932 1.3 109 21692 0.162% 317717 301456 1684405 1-0 14: 73 217 103 307 147 160 308 277 309 233 104 218 89 133 0.986 16.10 -14.5 89 89 89 93 307 29.9 7.544 -0.209 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN TAB_REP6-N1038 Xylose 15.8954 1634.6 >3 scans 84% TIC 1.1% 0.0326% 932 1.4 114 24220 0.233% 339158 317759 2422631 2-0 0.995 15.89 0.4 88 84 86 97 307 29.9 6.903 0.005 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN TAB_REP6-N1040 Xylose 16.0112 1642.6 2.8 scans 93% 73 m/z 0.30% 0.127% 943 1.1 241 93487 0.194% 1329927 1284226 2017126 1-1 20: 73 103 307 217 147 308 160 189 277 218 309 205 74 133 117 104 75 105 89 204 0.997 16.00 0.5 94 91 95 98 307 66.8 7.685 0.007 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.2311 1657.9 3.1 scans 41% 290 m/z 4.0% 0.00398% 964 1.9 38 7219 0.00408% 41449 40240 42422 1-0 4: 290 291 158 292 0.957 16.28 -3.2 91 91 58 93 392 7.7 4.088 -0.045 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6193 1684.9 3.0 scans 81% 73 m/z 1.4% 0.0323% 1001 1.8 114 19399 0.0435% 336237 312178 452294 4-0 20: 73 307 319 217 147 103 308 320 306 129 309 218 277 205 321 229 317 74 243 189 0.984 16.68 -3.9 98 98 95 98 497 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9339 1707.1 3.1 scans 95% 73 m/z 0.16% 0.303% 1031 1.1 356 180250 0.349% 3157366 3028497 3628748 3-0 20: 73 217 147 103 205 307 319 218 129 204 308 189 320 133 219 206 74 148 277 243 0.998 16.99 -4.0 96 95 95 96 422 13.3 0.141 -0.055 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0023 1712.1 3.6 scans 86% TIC 0.91% 0.0600% 1037 1.6 146 31538 0.450% 624815 600655 4678902 0-6 0.990 17.06 -4.4 95 95 93 95 510 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN TAB_REP6-N1044 Putrescine 17.1949 1726.1 3.1 scans 65% 174 m/z (73) 0.72% 0.0299% 1056 1.2 111 39713 311787 307384 0-1 16: 174 175 214 176 86 172 59 361 100 130 142 146 173 99 376 126 0.985 17.19 0.5 97 98 97 99 376 8.1 0.532 0.007 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1096 Putrescine 17.1949 1726.1 3.1 scans 56% 174 m/z 0.72% 0.0258% 1056 1.2 103 39840 268789 264993 0-1 16: 174 175 214 176 86 172 59 361 100 130 142 146 173 99 376 126 0.989 17.25 -3.9 98 97 96 99 458 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5716 1753.6 3.2 scans 93% TIC 0.12% 0.247% 1092 0.9 314 231786 0.749% 2573835 2394615 7787772 1-3 0.997 17.63 -4.4 94 93 95 95 450 29.5 0.881 -0.060 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7105 1763.8 3.2 scans 72% 334 m/z (217) 0.57% 0.100% 1105 1.0 192 49937 1043634 956253 2-3 14: 334 204 256 335 375 336 166 211 267 151 241 300 95 239 0.988 17.70 0.9 93 94 92 95 375 21.7 1.270 0.011 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1086 Fructofuranose 18.0745 1790.3 14.1 scans 86% TIC 0.42% 0.137% 1139 1.6 192 67958 0.484% 1432639 1385640 5032419 1-0 0.994 18.13 -4.3 94 93 92 96 437 52.2 7.391 -0.059 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1082 Citric acid 18.2534 1803.5 3.2 scans 78% 273 m/z 0.45% 0.113% 1156 1.3 211 63340 0.187% 1182001 1132344 1944344 0-2 17: 273 147 347 363 375 274 191 465 348 275 149 211 364 148 183 376 466 0.975 18.32 -5.2 96 95 92 97 465 30.9 2.145 -0.068 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1076 Pregnane?? 18.7953 1844.9 7.5 scans 90% 345 m/z 0.20% 0.455% 1208 2.1 294 138197 0.513% 4739957 4660282 5333948 2-1 20: 345 73 346 255 347 419 435 191 74 148 257 133 537 75 335 149 333 131 373 437 0.997 18.86 -4.8 100 99 98 99 537 21.8 0.548 -0.063 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1074 Adenine 18.8900 1852.1 4.1 scans 11% 264 m/z 6.8% 0.00288% 1217 1.1 31 4190 0.00341% 29953 29953 35456 0-0 4: 264 265 279 266 0.983 18.94 -3.8 85 86 72 86 415 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1072 Fructose 19.0120 1861.4 13.9 scans 85% 308 m/z 0.016% 8.78% 1228 0.6 1235 1732869 25.9% 91309571 89379681 269296782 1-0 12: 308 71 309 335 174 336 231 159 150 258 331 223 0.999 19.03 -1.6 99 98 98 99 364 152.4 1.528 -0.021 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN TAB_REP6-N1050 Fructose 19.0394 1863.5 14.0 scans 96% TIC 0.012% 15.3% 1231 0.5 1342 2291703 30.4% 160013016 156959608 316085798 1-0 1.000 18.98 4.5 100 99 98 99 364 152.2 1.292 0.059 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN TAB_REP6-N1052 Fructose 19.1930 1875.2 >7 scans 79% 73 m/z 0.017% 5.04% 1246 0.4 1212 1648893 34.2% 52506581 52506581 355596523 0-0 10: 73 103 219 89 74 117 337 523 374 187 0.999 19.10 6.8 99 98 98 98 364 147.3 1.481 0.089 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1070 Fructose 19.2130 1876.7 9.0 scans 96% 73 m/z 0.011% 3.30% 1248 2.3 1353 2411141 40.9% 34395654 34395654 425260170 0-0 20: 73 103 217 307 147 308 218 277 205 364 74 133 117 89 262 189 104 219 148 191 0.997 19.19 1.4 98 97 98 98 554 61.9 0.000 0.019 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1068 Galactopyranose 19.2845 1882.2 >4 scans 22% 204 m/z (319) 0.82% 0.0358% 1254 1.0 109 35211 0.579% 373009 373009 6020187 0-0 3: 204 191 192 0.943 19.32 -2.3 88 91 84 92 435 6.9 0.397 -0.030 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1066 Glucose 19.3845 1889.8 12.2 scans 46% 319 m/z (73) 0.012% 7.42% 1264 1.2 964 2343958 8.20% 77158871 77158871 85259985 0-0 15: 319 320 321 364 305 300 278 269 219 365 366 344 408 187 342 0.899 19.40 -1.1 88 91 70 91 319 546.8 32.285 -0.014 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN TAB_REP6-N1056 Glucose 19.3971 1890.8 12.0 scans 62% 205 m/z (73) 0.012% 10.9% 1265 1.0 1117 2343958 113755305 113755305 0-0 20: 205 160 217 161 207 218 231 130 376 162 232 172 375 293 174 330 186 256 243 127 0.944 19.33 5.0 94 96 68 95 364 90.1 0.653 0.065 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1064 Mannose 19.3971 1890.8 12.0 scans 98% 205 m/z 0.012% 17.0% 1265 1.0 1400 2386466 177447074 177447074 0-0 20: 205 160 217 161 207 218 231 130 376 162 232 172 375 293 174 330 186 256 243 127 0.985 19.45 -4.4 100 99 97 99 319 546.8 15.305 -0.058 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1062 Glucose 19.6307 1909.1 4.4 scans 98% 73 m/z 0.012% 6.49% 1287 0.3 1378 2354435 67516723 67206089 2-0 20: 73 205 147 160 321 103 206 133 117 189 129 157 148 207 218 89 161 233 75 149 0.992 19.66 -2.0 100 99 99 100 319 548.0 15.884 -0.025 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN TAB_REP6-N1059 Glucose 19.7401 1917.9 3.6 scans 37% 319 m/z 4.3% 0.00663% 1298 1.4 65 6579 0.0364% 68990 68990 378471 0-0 6: 319 205 320 307 217 305 0.853 19.55 15.2 81 82 69 83 376 0.0 0.000 0.188 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2999 1962.9 2.5 scans 94% TIC 0.12% 0.250% 1351 1.1 355 236351 2600272 2446622 1-1 0.989 20.41 -9.1 99 98 97 99 217 78.0 4.830 -0.114 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1052 Gluconic acid 2 20.5251 1981.0 2.6 scans 61% 319 m/z 1.7% 0.0223% 1372 1.0 108 16653 0.0354% 232318 232318 368074 0-0 10: 319 292 205 320 293 321 359 229 277 294 0.947 20.60 -5.7 84 85 82 84 613 0.0 0.000 -0.072 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN WTF2-N1038 C16:0 21.1522 2032.8 2.8 scans 85% TIC 2.5% 0.0194% 1432 1.3 94 11326 0.0215% 202028 192313 223548 1-0 0.984 20.62 44.5 89 95 91 95 328 10.6 1.262 0.535 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6962 2078.5 3.9 scans 98% 305 m/z 0.015% 5.62% 1484 0.3 1368 1921764 58498154 56689333 1-1 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 320 433 367 133 129 291 148 0.998 21.75 -4.4 100 100 99 100 507 106.9 0.613 -0.053 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8687 2093.0 2.9 scans 96% 319 m/z 0.079% 0.650% 1500 0.8 528 365408 6767048 6361458 1-2 20: 319 73 205 147 320 217 321 103 262 206 117 204 74 229 157 148 133 129 89 207 0.999 21.93 -5.1 95 92 96 99 656 12.0 0.052 -0.061 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1032 trans-Caffeic acid 22.1970 2121.4 2.5 scans 94% TIC 0.18% 0.270% 1531 1.2 374 158342 0.365% 2807637 2771946 3795109 1-0 1.000 22.25 -4.6 91 89 86 93 396 138.1 13.633 -0.053 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6653 2162.3 3.2 scans 93% TIC 0.45% 0.0756% 1576 1.3 171 63765 0.135% 786822 767066 1403670 1-0 0.995 22.71 -4.2 93 90 93 98 518 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN WTF2-N1036 C18:0 23.3955 2227.3 3.3 scans 78% 341 m/z 5.5% 0.0118% 1645 2.1 61 5186 0.0143% 122987 106590 148685 1-1 9: 341 117 342 132 129 55 145 57 356 0.978 22.89 45.5 86 92 84 92 356 8.1 1.768 0.506 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN BRA4_R~2-N1006 Spermidine 23.5070 2237.5 3.0 scans 75% TIC 3.6% 0.0157% 1656 0.9 82 8026 0.0305% 164059 148777 317126 0-5 0.918 23.51 -0.2 91 87 96 99 490 7.0 0.724 -0.002 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1236 2293.8 2.6 scans 73% 204 m/z 4.9% 0.00531% 1714 1.6 49 5825 0.0104% 55210 54487 108135 1-0 4: 204 337 217 205 0.974 24.01 10.3 87 87 85 89 490 0.0 0.000 0.114 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6487 2343.5 3.1 scans 96% 73 m/z 0.26% 0.251% 1764 0.6 295 108122 2616111 2552769 2-1 20: 73 147 191 331 217 421 205 319 307 262 103 332 305 218 204 333 308 259 422 74 0.999 24.65 -0.1 98 96 98 100 466 18.0 0.372 -0.001 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7444 2352.6 2.6 scans 88% 73 m/z 1.9% 0.0245% 1773 1.1 108 14822 0.190% 255099 240936 1975536 1-2 20: 73 204 217 147 292 375 305 103 451 218 219 233 129 205 376 293 148 191 275 74 0.989 24.81 -5.8 92 92 90 92 451 14.0 1.703 -0.061 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5310 2528.7 3.3 scans 79% TIC 2.1% 0.0304% 1943 1.3 104 13383 0.129% 316445 288722 1341285 0-2 0.966 26.57 -4.4 97 96 89 96 512 37.5 12.910 -0.042 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN WTF2-N1032 Sucrose 26.6489 2540.9 2.7 scans 70% 361 m/z 11% 0.00423% 1954 0.9 46 2530 44027 42330 0-1 4: 361 217 437 273 0.978 26.87 -22.8 83 85 77 85 451 5.7 1.533 -0.221 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1020 Sucrose 27.4044 2619.6 8.7 scans 9.7% 437 m/z (361) 0.051% 1.15% 2026 1.4 425 559074 11973903 11586201 1-1 12: 437 451 452 453 450 454 233 366 375 442 198 186 0.838 27.46 -6.0 93 96 94 97 437 267.0 39.591 -0.057 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1014 Sucrose 27.4044 2619.6 8.7 scans 93% 437 m/z 0.0091% 10.7% 2026 1.4 1318 3172921 112160409 108528779 1-1 12: 437 451 452 453 450 454 233 366 375 442 198 186 0.997 27.49 -9.1 100 100 99 100 437 264.1 4.046 -0.086 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1010 Sucrose 27.4222 2621.5 >7 scans 94% 271 m/z 0.0089% 9.72% 2028 0.5 1325 3239081 11.2% 101104373 98260447 116452663 1-0 20: 271 219 205 229 257 244 273 221 183 207 333 247 206 293 317 171 258 277 163 105 1.000 27.58 -16.7 100 98 97 99 437 263.1 3.975 -0.157 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1008 Sucrose 27.4475 2624.2 8.7 scans 100% 117 m/z 0.0092% 11.4% 2030 0.2 1361 3124681 118536037 117542281 1-0 20: 117 133 157 149 190 55 89 142 127 109 105 158 115 99 144 53 83 58 334 88 0.999 27.59 -15.3 100 99 97 99 437 250.6 3.411 -0.144 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1018 Sucrose 27.4517 2624.6 >2 scans 58% 361 m/z (117) 0.0092% 1.64% 2031 2.1 1032 3124681 6.95% 17103191 17103191 72263036 0-0 20: 361 217 362 363 271 147 218 243 129 169 319 191 219 364 331 189 272 204 230 320 0.983 27.47 -1.9 86 88 66 88 437 244.8 5.685 -0.018 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN LQC1-N1006 Trehalose 28.3745 2724.4 3.4 scans 61% 361 m/z 5.7% 0.00529% 2118 1.2 44 5049 0.0196% 55038 52503 203792 0-2 5: 361 362 271 363 191 0.943 28.47 -10.5 88 89 78 91 565 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel polar\N476_REP4.FIN GUA35_L1-N1020 Galactinol 30.6157 2980.7 2.8 scans 89% 204 m/z 2.1% 0.0132% 2331 1.2 76 13702 137779 131360 1-1 12: 204 191 205 217 206 129 433 230 305 103 192 218 0.993 30.55 8.3 83 82 89 83 641 0.0 0.000 0.071 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN EXBLK5S-N1006 Contamination 6.3836 1049.0 4.6 scans 55% 207 m/z 1.9% 0.0376% 28 1.5 78 14862 0.0583% 349255 205071 540873 10-8 8: 207 295 208 296 209 191 297 279 0.979 6.63 -14.3 96 96 88 96 295 24.7 10.069 -0.241 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN A-KETO~2-N1006 Contamination?? 7.9987 1144.7 2.8 scans 75% 156 m/z 2.2% 0.0139% 182 1.1 83 12850 0.0148% 129664 123315 137306 6-2 8: 156 75 55 157 54 61 76 158 0.981 7.96 2.5 98 98 96 99 156 43.8 28.109 0.042 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1192 Contamination 8.0776 1149.4 2.6 scans 73% 73 m/z 3.5% 0.0121% 189 1.2 76 8309 0.0208% 113062 100045 192970 2-4 16: 73 147 133 235 220 146 100 59 148 72 86 103 74 89 160 131 0.969 7.99 5.2 95 95 91 95 235 14.9 3.862 0.089 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN WTF2-N1026 Cadaverine NC 8.2081 1157.1 3.4 scans 28% 174 m/z 13% 0.00142% 202 1.1 25 2148 0.00288% 13248 13248 26719 0-0 4: 174 86 175 216 0.803 7.74 27.9 84 89 57 88 216 8.3 11.120 0.472 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1188 Contamination 8.3912 1168.0 6.1 scans 84% 281 m/z 1.1% 0.0766% 219 2.2 124 25269 0.0797% 710735 534224 739410 6-0 14: 281 147 369 73 282 283 265 249 207 266 193 251 267 205 0.987 8.41 -1.4 99 98 84 100 369 36.2 8.542 -0.024 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1190 Contamination 8.5027 1174.6 4.4 scans 64% TIC 4.7% 0.00814% 230 1.5 58 6239 0.0708% 75569 74958 656841 0-2 0.924 8.48 1.1 81 80 78 86 309 3.4 0.347 0.019 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1186 Phosphate 8.6132 1181.2 2.3 scans 39% 241 m/z 6.2% 0.00267% 240 1.1 39 4703 24818 24818 0-1 6: 241 169 242 211 163 243 0.753 8.56 3.2 89 90 66 94 299 0.0 0.000 0.052 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1184 Valine 9.2224 1217.0 >6 scans 54% TIC 9.0% 0.00292% 298 0.7 35 3242 0.0185% 27127 26302 171632 2-0 0.955 9.19 2.0 89 90 78 90 218 11.1 10.281 0.034 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1180 Benzoic acid 9.7853 1250.0 3.3 scans 62% 179 m/z 6.8% 0.00556% 352 0.5 44 4289 51588 50585 1-1 5: 179 105 135 77 180 0.951 9.76 1.5 95 96 88 96 194 6.1 1.894 0.026 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1178 Ethanolamine 10.0126 1263.3 5.6 scans 66% TIC 3.9% 0.0114% 373 0.9 58 7528 0.334% 106291 106291 3098655 0-0 0.911 10.03 -1.2 84 83 74 92 262 5.2 0.792 -0.021 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN VEN77_S6-N1002 Glycerol 10.1094 1269.0 2.8 scans 94% 299 m/z 0.064% 0.436% 382 0.9 445 459045 4052364 3905752 1-1 20: 299 300 73 314 301 211 133 283 207 315 193 191 135 316 302 225 181 74 115 75 0.989 10.09 1.0 100 98 95 100 299 261.5 34.582 0.015 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2683 1278.2 2.9 scans 64% 73 m/z 4.4% 0.00556% 398 1.2 50 6563 0.00871% 51590 48371 80806 1-0 6: 73 198 211 77 70 199 0.929 10.24 1.6 92 92 84 92 381 5.0 0.998 0.028 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1176 Isoleucine 10.4587 1289.4 3.4 scans 30% 158 m/z (180) 9.7% 0.00200% 416 0.5 26 3006 0.00205% 18583 18583 19019 0-0 2: 158 159 0.840 10.46 -0.0 87 92 60 90 260 0.0 0.000 -0.000 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1174 Proline 10.5439 1294.4 4.1 scans 42% 142 m/z (180) 3.3% 0.00707% 424 0.5 45 8865 0.0200% 65665 60282 185548 2-0 3: 142 143 216 0.950 10.55 -0.0 82 87 79 88 142 36.3 65.583 -0.001 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6376 1299.9 2.8 scans 97% 147 m/z 0.039% 0.690% 433 0.6 558 746534 6404072 6175191 1-1 20: 147 73 245 148 75 149 83 133 74 115 246 143 170 59 126 84 58 215 72 247 0.999 10.60 2.1 98 97 98 98 245 127.7 5.256 0.036 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1170 Glycine 10.6860 1302.8 6.3 scans 42% 174 m/z (147) 4.8% 0.00696% 437 0.9 47 6035 0.0223% 64651 64651 206886 0-0 3: 174 248 175 0.977 10.69 -0.0 86 89 79 89 276 8.0 2.844 -0.001 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7712 1307.9 3.0 scans 96% TIC 0.030% 1.02% 445 1.1 632 954110 9509468 8921758 2-4 0.989 10.76 0.8 99 97 96 99 251 145.0 5.273 0.013 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1168 Glyceric acid 11.0353 1323.8 2.7 scans 95% 73 m/z 0.34% 0.122% 470 1.1 244 85500 0.123% 1133014 1116932 1141122 2-2 20: 73 147 292 189 133 103 205 293 102 117 148 307 190 75 74 294 149 191 59 101 0.999 11.05 -1.1 99 98 98 99 292 70.0 8.228 -0.019 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.1027 1327.9 2.7 scans 77% TIC 5.7% 0.00830% 477 0.8 68 5092 0.111% 77008 77008 1029793 0-0 0.984 11.06 2.4 97 97 92 98 285 20.3 8.852 0.040 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1018 Uracil 11.1584 1331.2 2.5 scans 44% 241 m/z 13% 0.00202% 482 1.1 33 2213 0.00216% 18787 18787 20039 0-0 4: 241 256 99 255 0.897 11.15 0.6 92 95 88 96 256 12.0 13.643 0.010 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1164 Itaconic acid 11.2342 1335.8 2.6 scans 72% 147 m/z 3.2% 0.00787% 489 1.1 62 9121 0.00821% 73069 70588 76168 3-0 6: 147 259 148 215 149 97 0.955 11.25 -1.1 93 93 88 93 259 13.8 4.865 -0.018 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1162 Fumaric acid 11.3878 1345.0 2.4 scans 98% 245 m/z 0.054% 0.480% 504 0.7 507 537805 4457764 4456740 1-0 20: 245 147 73 246 75 143 247 83 133 148 149 115 155 74 84 53 61 59 58 157 0.999 11.39 -0.3 100 99 98 99 245 283.0 31.240 -0.005 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4741 1350.2 4.0 scans 77% 57 m/z (204) 2.1% 0.0231% 512 1.0 84 13931 0.0434% 214905 193511 402640 0-1 11: 57 97 145 115 127 56 55 129 109 111 128 0.978 11.45 1.7 88 86 95 99 145 23.2 7.643 0.028 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1160 Serine 11.5225 1353.1 2.9 scans 93% TIC 0.66% 0.0747% 517 1.0 182 43943 0.560% 693794 652468 5195350 0-2 0.997 11.56 -2.1 98 97 95 98 306 17.1 0.879 -0.035 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7455 1366.6 3.3 scans 80% 147 m/z 2.6% 0.0197% 538 0.7 88 11156 183151 167048 3-1 17: 147 73 247 101 116 262 148 59 217 87 131 66 102 103 281 74 130 0.944 11.79 -2.3 81 76 87 95 262 9.8 1.234 -0.039 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1154 Threonine 11.9286 1377.6 2.9 scans 83% TIC 2.9% 0.0185% 555 1.1 83 10024 0.0207% 171646 132692 192042 5-0 0.986 11.96 -1.9 93 92 90 94 320 7.3 0.768 -0.031 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1148 Glutamine?? 13.2996 1462.9 2.8 scans 59% 155 m/z 3.3% 0.00797% 686 0.9 60 8648 0.00861% 73962 73962 79879 0-0 3: 155 229 139 0.864 13.35 -3.0 86 87 84 92 257 2.3 0.000 -0.047 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1146 Malic acid 13.6058 1482.2 5.0 scans 98% 73 m/z 0.010% 7.17% 715 0.2 1403 2851696 66523975 63768035 1-1 20: 73 147 233 245 189 190 133 148 75 191 175 74 335 55 234 149 101 217 265 131 0.999 13.62 -0.6 100 100 100 100 350 38.1 0.074 -0.011 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1140 Aspartic acid 14.0288 1509.3 2.6 scans 27% 232 m/z (305) 1.9% 0.0137% 755 1.3 82 15473 127576 122313 1-1 8: 232 233 218 100 234 202 219 216 0.746 14.09 -3.8 85 88 56 91 349 5.6 0.473 -0.058 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0288 1509.3 2.6 scans 22% 232 m/z 1.9% 0.0111% 755 1.3 74 15453 103655 99378 1-1 8: 232 233 218 100 234 202 219 216 0.917 14.02 0.8 88 88 84 92 258 4.7 0.000 0.012 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0520 1510.8 3.1 scans 89% 156 m/z 0.29% 0.102% 757 0.9 210 100929 948914 948516 1-0 19: 156 73 157 147 230 258 158 74 231 140 259 148 59 72 260 58 86 133 112 0.983 14.11 -3.9 99 97 97 99 273 8.1 0.149 -0.058 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0520 1510.8 3.5 scans 87% TIC 0.30% 0.111% 757 0.7 208 95263 1035014 1033613 1-0 0.978 14.03 1.5 99 98 98 99 258 39.9 3.678 0.022 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1032 GABA 14.1972 1520.4 3.3 scans 88% TIC 0.76% 0.0536% 771 1.1 155 38421 0.133% 497953 497953 1233896 0-0 0.995 14.19 0.6 97 97 96 97 304 45.0 8.391 0.009 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3697 1531.9 5.1 scans 73% TIC 1.7% 0.0336% 787 0.7 92 16400 0.113% 312243 300174 1048347 0-1 0.869 14.62 -16.7 88 89 85 89 409 5.5 0.348 -0.251 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6117 1547.9 2.7 scans 89% TIC 0.72% 0.0540% 810 1.6 159 40593 500986 498091 0-1 0.971 14.69 -5.3 96 96 89 96 409 11.0 0.479 -0.080 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3840 1599.1 2.8 scans 76% 217 m/z (108) 0.61% 0.0377% 884 1.3 139 48133 0.0775% 350548 350548 718999 0-0 18: 217 73 218 147 129 230 215 103 189 133 59 131 149 72 169 259 243 291 0.991 15.44 -3.9 94 95 94 98 393 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1036 Glutamic acic 15.5051 1607.5 2.4 scans 36% 246 m/z 9.7% 0.00181% 895 0.9 32 3006 16820 16820 0-0 3: 246 247 128 0.850 15.50 0.1 92 95 68 94 363 4.7 2.181 0.002 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1118 Phenylalanine 15.6082 1614.7 2.7 scans 28% 218 m/z 4.8% 0.00544% 905 1.0 52 6058 50520 45458 1-2 6: 218 192 219 100 220 266 0.470 15.66 -3.5 86 92 52 90 294 4.4 0.718 -0.051 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1038 Xylose 15.8923 1634.4 6.2 scans 82% TIC 1.4% 0.0298% 932 1.3 111 19612 0.0507% 277090 275792 470365 1-0 0.990 15.89 0.2 89 84 85 98 307 26.1 5.521 0.002 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1040 Xylose 16.0080 1642.4 2.7 scans 92% 73 m/z 0.40% 0.0990% 943 1.1 224 73072 919061 868304 1-2 20: 73 103 217 307 147 308 189 160 277 218 133 74 204 309 75 117 205 104 89 105 0.988 16.00 0.3 95 93 96 99 307 59.7 7.134 0.004 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1042 Ribose 16.1059 1649.2 2.9 scans 81% 73 m/z 1.6% 0.0239% 952 0.9 106 17655 0.108% 222430 201604 1001960 1-1 20: 73 103 307 217 147 308 160 309 189 218 74 133 104 89 117 205 204 105 233 219 0.987 16.10 0.2 96 94 95 99 307 30.1 8.129 0.003 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.2279 1657.7 3.2 scans 41% 290 m/z 4.9% 0.00371% 964 2.0 38 5982 34428 32888 1-1 4: 290 291 292 158 0.990 16.28 -3.4 91 91 58 94 392 7.3 3.819 -0.048 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6172 1684.7 2.8 scans 82% TIC 1.9% 0.0227% 1001 1.5 109 15380 0.0722% 211082 211082 669829 0-0 0.985 16.68 -4.1 99 98 95 98 497 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9308 1706.8 3.3 scans 73% 217 m/z 1.7% 0.0295% 1031 1.1 116 16878 0.128% 274028 274028 1187509 0-0 18: 217 147 103 205 319 307 218 318 204 129 243 246 320 74 189 309 149 101 0.981 16.99 -4.3 96 96 94 96 422 3.0 0.068 -0.058 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0002 1711.9 3.7 scans 84% 73 m/z 0.88% 0.0620% 1037 1.6 156 33209 0.227% 575817 575817 2105972 0-0 20: 73 217 147 307 319 205 103 218 129 189 320 219 204 321 191 75 149 203 221 207 0.959 17.06 -4.6 88 87 86 87 510 5.3 0.115 -0.062 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1096 Putrescine 17.1907 1725.8 2.9 scans 42% 174 m/z 1.1% 0.0194% 1055 1.2 94 26645 180867 178605 0-1 17: 174 175 176 86 214 172 200 59 130 100 361 215 142 376 173 146 99 0.798 17.25 -4.2 97 96 93 98 458 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1044 Putrescine 17.1907 1725.8 2.9 scans 41% 174 m/z (217) 1.1% 0.0196% 1055 1.2 94 26645 181856 179582 0-1 17: 174 175 176 86 214 172 200 59 130 100 361 215 142 376 173 146 99 0.920 17.19 0.2 94 95 84 98 376 8.4 0.802 0.003 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5695 1753.5 2.9 scans 94% TIC 0.13% 0.246% 1091 1.3 334 220484 1.08% 2291098 2160869 10019604 3-2 0.999 17.63 -4.5 94 92 94 95 450 30.7 0.841 -0.063 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7115 1763.8 3.6 scans 85% TIC 0.14% 0.544% 1105 0.7 412 204547 0.803% 5050640 4488949 7449761 4-2 0.986 17.70 0.9 96 95 95 96 375 46.8 1.293 0.013 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1086 Fructofuranose 18.0777 1790.6 >6 scans 73% TIC 0.89% 0.0799% 1140 1.0 142 32974 0.434% 742022 685980 4026396 2-0 0.959 18.13 -4.0 91 89 88 94 437 32.7 5.316 -0.056 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1082 Citric acid 18.2523 1803.5 3.2 scans 89% TIC 0.21% 0.275% 1156 1.2 332 135981 0.475% 2551700 2395021 4406770 0-1 0.983 18.32 -5.2 99 97 96 99 465 48.5 2.139 -0.069 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.6048 1830.3 4.8 scans 75% TIC 1.0% 0.0594% 1190 1.0 141 26990 1.21% 551213 551213 11225667 0-0 0.971 18.67 -5.0 84 82 83 91 319 21.6 2.344 -0.064 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1076 Pregnane?? 18.7942 1844.8 5.5 scans 97% 345 m/z 0.059% 1.43% 1208 1.6 600 496703 13337550 13062453 1-1 20: 345 73 346 255 147 204 256 191 419 435 74 133 148 372 257 239 75 348 537 149 0.999 18.86 -4.9 100 100 99 100 537 43.7 0.532 -0.064 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1072 Fructose 19.0004 1860.5 10.0 scans 97% 73 m/z 0.013% 9.27% 1227 0.7 1386 2111514 22.9% 86048359 83869672 212452704 1-0 20: 73 307 217 103 147 218 277 309 133 189 74 205 104 117 219 148 89 191 335 172 1.000 19.03 -2.5 100 98 99 99 364 156.4 1.279 -0.033 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1050 Fructose 19.0404 1863.6 >4 scans 91% 307 m/z 0.017% 4.46% 1231 0.6 1285 1704618 21.3% 41461639 41461639 197608847 0-0 20: 307 308 277 309 364 104 219 72 191 278 129 173 365 202 279 231 206 366 262 101 1.000 18.98 4.6 100 99 99 99 364 152.4 1.412 0.060 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1052 Fructose 19.1478 1871.8 8.7 scans 99% 216 m/z 0.017% 9.81% 1241 1.1 1267 1662875 39.9% 91026696 90541827 370168686 0-5 20: 216 131 555 279 142 230 464 119 245 188 334 150 130 220 54 186 135 82 293 465 0.999 19.10 3.4 100 99 99 100 364 150.4 1.415 0.044 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1068 Galactopyranose 19.2509 1879.6 >3 scans 21% 204 m/z 0.75% 0.0223% 1251 1.2 108 38890 0.859% 207000 207000 7969296 0-0 4: 204 191 192 435 0.839 19.32 -4.9 87 90 63 89 435 11.5 1.137 -0.064 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1064 Mannose 19.3845 1889.8 13.1 scans 89% TIC 0.012% 16.3% 1264 0.7 1451 2308111 19.2% 151572690 147211190 178126285 1-0 1.000 19.45 -5.4 100 99 98 99 319 586.4 16.396 -0.071 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1066 Glucose 19.4234 1892.8 >4 scans 42% 229 m/z (73) 0.013% 3.39% 1267 1.9 989 2192445 9.19% 31489221 31489221 85259404 0-0 10: 229 243 390 467 248 165 110 450 479 139 0.947 19.40 1.9 86 88 64 90 319 571.5 33.597 0.024 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1062 Glucose 19.6244 1908.6 4.1 scans 96% 73 m/z 0.012% 6.96% 1287 0.3 1508 2355847 64652401 60370473 1-1 20: 73 319 205 147 160 320 103 217 206 321 133 117 229 129 74 157 148 189 89 204 0.995 19.66 -2.5 100 99 99 99 319 592.4 15.490 -0.032 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1059 Glucose 19.6244 1908.6 4.1 scans 96% TIC 0.012% 7.09% 1287 0.3 1509 2355847 65850815 61358463 1-1 0.999 19.55 5.9 100 99 98 99 376 61.9 0.169 0.072 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7380 1917.7 >7 scans 31% TIC 5.5% 0.00378% 1297 1.6 60 5264 0.0478% 35084 35084 443460 0-0 0.792 19.79 -4.2 83 86 70 86 434 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2957 1962.5 2.7 scans 93% TIC 0.25% 0.172% 1350 1.3 278 116752 1599984 1569722 0-2 0.985 20.41 -9.5 97 95 96 98 217 62.6 5.084 -0.118 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1052 Gluconic acid 2 20.5230 1980.8 2.7 scans 59% 319 m/z 2.9% 0.0135% 1372 0.8 88 9900 0.0296% 125985 125985 274611 0-0 9: 319 292 205 320 333 293 321 206 294 0.969 20.60 -5.9 86 87 83 86 613 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.7014 2078.9 5.8 scans 97% 507 m/z 0.015% 9.04% 1484 0.5 1499 1937582 83942875 83942875 0-0 20: 507 509 436 295 396 522 365 405 408 378 381 437 323 249 404 275 397 422 330 598 0.996 21.75 -4.0 100 100 99 100 507 118.2 0.624 -0.048 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1042 myo-Inositol 21.7078 2079.5 5.0 scans 88% 217 m/z (507) 0.014% 8.23% 1485 0.3 1500 1970343 76436997 70776685 1-1 20: 217 73 305 147 318 191 306 265 204 319 218 307 133 432 129 320 433 192 148 367 0.987 21.77 -5.6 95 94 97 99 318 393.5 6.903 -0.066 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8656 2092.7 3.0 scans 95% 319 m/z 0.14% 0.418% 1500 0.9 418 201398 3885424 3554783 2-2 20: 319 73 205 147 320 217 103 321 262 206 117 74 204 229 133 263 89 148 157 291 0.999 21.93 -5.4 96 93 96 99 656 8.9 0.046 -0.064 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1991 2121.6 2.7 scans 90% 396 m/z 0.14% 0.367% 1531 1.0 417 208126 3413862 3245265 1-3 20: 396 73 219 397 381 398 191 220 307 382 293 75 249 74 221 399 383 308 133 192 0.970 22.19 1.1 99 98 95 99 396 176.1 17.892 0.013 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6663 2162.4 3.3 scans 86% 204 m/z 1.7% 0.0214% 1576 1.5 93 17004 0.0398% 198949 192245 369241 1-0 12: 204 73 205 147 361 217 145 117 74 191 129 75 0.988 22.71 -4.1 96 95 95 97 518 0.0 0.000 -0.048 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1204 2293.5 2.7 scans 74% 204 m/z 5.3% 0.00611% 1714 1.6 51 5484 56713 48226 1-2 4: 204 337 205 103 0.957 24.01 10.0 87 89 82 88 490 0.0 0.000 0.110 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6486 2343.5 3.2 scans 94% 73 m/z 0.43% 0.170% 1764 0.6 244 67463 1578489 1527788 1-1 20: 73 331 147 191 217 421 307 262 103 205 332 319 305 422 376 148 259 218 333 117 0.994 24.65 -0.1 100 98 99 100 466 14.0 0.330 -0.001 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7423 2352.4 2.8 scans 92% 73 m/z 1.0% 0.0532% 1773 1.0 160 26933 494028 452777 1-7 20: 73 217 204 147 292 375 103 305 219 218 451 129 293 233 205 376 377 74 101 306 0.997 24.81 -6.0 95 95 94 95 451 18.5 1.338 -0.063 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5300 2528.6 3.7 scans 75% TIC 2.3% 0.0299% 1943 1.6 106 12716 0.124% 277781 259679 1150399 0-2 0.973 26.57 -4.5 96 96 86 96 512 37.9 12.747 -0.043 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1020 Sucrose 27.4022 2619.3 9.6 scans 9.1% 437 m/z (361) 0.057% 1.29% 2026 1.7 443 510550 12044873 11674159 1-1 14: 437 438 439 452 453 359 440 366 261 349 465 455 315 379 0.751 27.46 -6.3 93 96 94 97 437 275.8 38.828 -0.059 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1018 Sucrose 27.4138 2620.6 9.7 scans 60% 361 m/z (319) 0.0090% 8.19% 2027 1.0 1153 3250848 9.15% 76022054 73915366 84888308 1-0 20: 361 362 305 231 345 241 333 132 55 347 141 220 274 144 115 346 322 464 181 263 0.971 27.47 -5.9 87 89 70 89 437 288.0 6.274 -0.056 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1014 Sucrose 27.4138 2620.6 9.7 scans 87% 361 m/z 0.0091% 11.6% 2027 1.0 1389 3201657 12.9% 107711871 104727009 119678598 1-0 20: 361 362 305 231 345 241 333 132 55 347 141 220 274 144 115 346 322 464 181 263 1.000 27.49 -8.1 100 99 99 99 437 287.4 4.321 -0.076 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1010 Sucrose 27.4170 2620.9 9.7 scans 98% TIC 0.0091% 14.9% 2027 0.1 1473 3229450 138340140 137865246 1-0 0.998 27.58 -17.3 100 99 98 99 437 281.8 3.683 -0.162 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1008 Sucrose 27.4538 2624.8 9.4 scans 100% 73 m/z 0.0096% 13.0% 2031 0.2 1474 3047418 120996167 120006949 1-0 20: 73 103 129 74 75 117 149 131 130 104 69 59 55 101 81 89 134 105 109 142 0.999 27.59 -14.7 100 99 97 99 437 263.8 3.220 -0.137 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN TAB_REP6-N1070 Sucrose 27.4622 2625.7 >2 scans 54% 361 m/z (73) 0.016% 1.64% 2032 2.1 1060 1794641 7.96% 15301047 15301047 73848189 0-0 20: 361 217 362 271 363 147 243 218 319 169 191 331 204 219 272 205 189 229 230 245 0.925 27.41 5.6 89 95 85 94 451 12.9 0.000 0.052 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN LQC1-N1006 Trehalose 28.3755 2724.5 2.9 scans 86% 361 m/z 2.3% 0.0169% 2118 1.2 91 12359 0.0599% 157118 156483 555717 0-1 13: 361 362 191 217 363 271 129 243 103 169 218 331 192 0.994 28.47 -10.4 92 90 85 95 565 0.0 0.000 -0.092 G:\GCMS data\Nicotiana Panel polar\N476_REP6.FIN GUA35_L1-N1020 Galactinol 30.4747 2964.0 3.0 scans 60% 204 m/z (345) 1.8% 0.0252% 2318 1.0 104 16313 0.0257% 234291 228466 238429 0-3 16: 204 217 205 305 361 129 206 103 218 433 319 343 243 169 189 231 0.971 30.55 -8.4 91 93 90 94 641 9.0 0.737 -0.070 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN EXBLK5S-N1006 Contamination 6.5879 1061.1 3.4 scans 67% TIC 1.3% 0.0123% 48 1.7 79 16887 0.0846% 145541 145541 1000945 0-0 0.948 6.63 -2.2 96 95 89 97 295 23.9 9.248 -0.037 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.7552 1071.0 >4 scans 29% 117 m/z 5.9% 0.00494% 64 1.7 42 3774 0.0128% 58454 35212 151443 0-6 2: 117 147 0.829 6.82 -3.9 87 86 81 97 295 5.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1194 Alanine 7.3802 1108.1 6.2 scans 89% 116 m/z 0.35% 0.0945% 123 0.5 142 62837 0.109% 1119098 1029433 1289634 1-6 12: 116 73 147 117 190 118 59 100 218 87 72 191 0.995 7.40 -1.4 96 95 96 96 283 0.0 0.000 -0.024 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN A-KETO~2-N1006 Contamination?? 7.8768 1137.5 3.0 scans 52% 156 m/z 6.7% 0.00269% 170 1.2 36 3347 0.00435% 31851 30186 51467 4-0 2: 156 55 0.903 7.96 -4.7 90 88 87 97 156 20.7 32.777 -0.080 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1192 Contamination 7.9610 1142.5 2.7 scans 79% 147 m/z 2.4% 0.0103% 178 1.1 78 9129 0.0145% 122347 112911 171557 4-0 18: 147 73 133 220 235 146 152 86 72 59 148 89 160 100 149 103 74 134 0.984 7.99 -1.7 98 98 95 98 235 15.1 3.768 -0.028 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1188 Contamination 8.3724 1166.9 4.0 scans 91% 281 m/z 0.96% 0.0394% 217 1.3 114 23346 0.0443% 467326 405913 524136 7-5 15: 281 147 73 369 282 249 371 370 148 191 266 251 284 193 267 0.997 8.41 -2.5 98 96 79 100 369 31.5 7.674 -0.043 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1186 Phosphate 8.5271 1176.1 2.5 scans 95% 241 m/z 0.21% 0.0595% 232 1.1 185 103575 704025 671258 1-5 20: 241 242 211 133 163 243 256 73 195 135 59 89 98 181 121 137 119 212 257 134 0.999 8.56 -1.9 100 99 99 100 299 0.0 0.000 -0.034 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1184 Valine 9.1531 1213.0 3.2 scans 88% 144 m/z 0.80% 0.0205% 291 0.9 97 27800 0.0282% 242637 239437 333648 0-5 14: 144 73 218 145 147 219 100 146 74 59 114 128 220 132 0.993 9.19 -2.0 98 98 96 98 218 29.6 9.312 -0.035 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1180 Benzoic acid 9.7234 1246.4 3.0 scans 85% 179 m/z 1.8% 0.0133% 346 1.3 74 12101 158146 136959 2-8 10: 179 105 135 77 180 194 106 136 51 181 0.976 9.76 -2.1 99 99 95 99 194 11.5 2.430 -0.036 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1178 Ethanolamine 9.9917 1262.1 3.4 scans 87% 174 m/z 0.56% 0.0343% 371 1.1 118 39713 1.40% 406199 364943 16564109 5-0 17: 174 73 100 86 147 176 59 262 133 130 74 114 131 101 117 172 72 0.979 10.03 -2.4 99 98 97 98 262 13.4 1.292 -0.042 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN VEN77_S6-N1002 Glycerol 10.1559 1271.7 8.0 scans 98% 300 m/z 0.0041% 9.04% 387 0.2 1334 5388715 107010929 107010267 1-0 20: 300 73 301 283 133 315 207 193 147 191 316 225 135 284 74 75 208 59 115 205 1.000 10.09 3.7 99 98 95 99 299 830.7 39.054 0.062 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2527 1277.3 2.4 scans 89% 73 m/z 0.37% 0.0387% 396 1.0 154 60369 1.18% 458204 431521 13961178 2-1 19: 73 198 77 211 199 70 74 381 239 289 212 72 200 170 143 63 92 142 56 0.994 10.24 0.7 99 98 98 99 381 17.4 1.278 0.013 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1176 Isoleucine 10.4442 1288.5 2.8 scans 38% 158 m/z 1.1% 0.00697% 414 1.2 61 18852 0.0181% 82577 82577 214150 0-0 5: 158 159 218 232 160 0.981 10.46 -0.9 82 82 60 83 260 6.1 1.000 -0.015 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN TAB_REP6-N1012 Proline 10.5389 1294.1 3.5 scans 95% TIC 0.0080% 1.84% 423 0.5 854 2798286 1.94% 21772236 19316447 22953123 4-1 0.998 10.53 0.3 99 97 97 100 216 158.6 3.467 0.006 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5936 1297.3 >4 scans 86% TIC 0.18% 0.0752% 428 0.9 202 120971 3.02% 890676 890676 35731150 0-0 0.998 10.60 -0.5 97 96 96 97 245 47.0 5.418 -0.008 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1170 Glycine 10.6515 1300.7 3.0 scans 78% TIC 0.40% 0.0279% 434 1.1 146 55799 2.73% 330488 330488 32300013 0-0 0.988 10.69 -2.1 99 99 96 98 276 22.0 2.283 -0.036 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7546 1306.9 3.2 scans 96% 147 m/z 0.013% 1.31% 444 0.4 751 1647790 15578776 14912333 1-2 20: 147 73 251 148 76 149 58 132 252 74 133 177 176 150 131 75 118 253 222 59 0.995 10.76 -0.2 99 98 96 99 251 188.6 6.333 -0.003 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1168 Glyceric acid 11.0155 1322.6 2.7 scans 96% 73 m/z 0.12% 0.225% 468 1.1 341 176935 2669209 2597225 1-1 20: 73 147 292 189 133 103 205 293 190 102 148 117 307 75 294 74 149 59 191 101 0.999 11.05 -2.3 100 99 99 100 292 104.7 9.427 -0.038 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN TAB_REP6-N1016 Glyceric acid 11.0155 1322.6 2.7 scans 94% 73 m/z (343) 0.13% 0.226% 468 1.1 338 167174 2678602 2606365 1-1 20: 73 147 292 189 133 103 205 293 190 102 148 117 307 75 294 74 149 59 191 101 1.000 11.03 -1.1 99 100 99 100 307 44.3 1.721 -0.018 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0776 1326.3 3.1 scans 43% 184 m/z 10% 0.00199% 474 1.4 31 2070 0.00456% 23544 23544 53952 0-0 4: 184 285 134 174 0.934 11.06 0.8 86 88 60 87 285 11.6 14.217 0.015 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN TAB_REP6-N1018 Uracil 11.1334 1329.7 2.8 scans 56% 241 m/z 7.6% 0.00283% 480 1.6 37 2927 33530 31610 1-1 4: 241 255 99 256 0.946 11.15 -0.9 94 94 89 98 256 12.6 11.833 -0.015 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1164 Itaconic acid 11.2186 1334.8 3.1 scans 67% 147 m/z 3.4% 0.00535% 488 1.0 51 6609 0.132% 63321 54176 1561759 3-1 7: 147 73 259 292 148 215 149 0.928 11.25 -2.1 81 79 82 91 259 10.2 3.988 -0.033 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1162 Fumaric acid 11.3575 1343.2 3.0 scans 88% 245 m/z 0.51% 0.0373% 501 1.1 135 43625 442155 400429 2-1 20: 245 147 73 246 75 143 247 83 148 133 149 74 115 155 240 53 84 59 61 58 0.993 11.39 -2.1 98 97 96 98 245 74.7 30.820 -0.036 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4522 1348.9 3.0 scans 89% TIC 1.2% 0.0135% 510 1.2 88 17316 0.195% 160434 160386 2307144 1-0 0.991 11.45 0.4 97 95 98 99 145 24.4 7.598 0.006 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1160 Serine 11.5111 1352.4 2.8 scans 96% 204 m/z 0.17% 0.147% 516 1.0 268 127783 1750680 1694319 1-1 20: 204 73 218 205 147 100 188 219 278 206 220 74 75 133 306 116 59 216 189 132 0.997 11.56 -2.8 100 99 99 99 306 27.6 1.054 -0.046 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN BRA4_R~2-N1008 Thymine 11.5963 1357.6 3.5 scans 62% TIC 8.0% 0.00249% 524 1.2 36 2804 0.137% 29500 29500 1620916 0-0 0.939 11.58 0.8 86 86 76 91 270 9.5 7.031 0.012 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7373 1366.1 7.5 scans 45% 147 m/z (117) 2.5% 0.0103% 537 0.6 62 8764 0.0187% 122246 122246 221249 0-0 13: 147 247 101 262 116 248 59 148 103 189 102 87 66 0.932 11.79 -2.8 87 89 79 92 262 10.0 2.604 -0.048 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN TAB_REP6-N1024 Threonine 11.9225 1377.2 2.6 scans 98% 73 m/z 0.11% 0.260% 555 0.9 377 202959 3086855 3038778 0-1 20: 73 218 219 291 117 292 147 101 220 57 100 75 74 203 221 293 128 133 320 132 1.000 11.92 0.1 100 99 99 100 320 35.6 0.890 0.002 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1150 Citrulline 13.0336 1446.1 2.6 scans 74% 128 m/z (350) 1.7% 0.0231% 660 1.3 112 12681 0.0238% 273461 273461 281590 0-0 12: 128 243 115 141 100 169 70 258 114 116 216 259 0.979 13.08 -2.7 89 88 92 97 258 12.8 1.303 -0.042 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1148 Glutamine?? 13.3114 1463.6 2.8 scans 94% 155 m/z 0.17% 0.102% 687 0.8 226 130038 0.106% 1211749 1176046 1254140 1-2 20: 155 73 147 156 229 139 75 59 157 74 100 148 257 84 230 131 103 72 133 149 0.989 13.35 -2.3 98 96 98 99 257 18.1 0.640 -0.036 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1146 Malic acid 13.5629 1479.5 3.1 scans 98% 73 m/z 0.022% 1.30% 711 0.5 771 1002277 15454069 15251661 1-0 20: 73 147 233 245 133 335 189 190 148 75 175 191 74 234 149 55 101 307 265 217 0.999 13.62 -3.3 100 99 99 100 350 21.1 0.075 -0.054 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1144 Contamination Parabanica acid 13.7670 1492.3 2.9 scans 95% 243 m/z 0.20% 0.183% 730 0.8 304 110764 0.216% 2167437 2025383 2555605 2-3 20: 243 115 100 73 128 116 244 201 59 158 72 245 101 75 131 70 142 147 117 74 0.999 13.81 -2.5 100 99 99 100 243 119.1 15.339 -0.039 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1142 Erythritol/Threitol 13.8428 1497.1 2.6 scans 78% 73 m/z 1.2% 0.0188% 737 1.8 105 17715 0.0861% 223065 223065 1018693 0-0 20: 73 217 147 205 103 204 307 117 189 218 191 293 133 206 129 277 148 219 116 74 0.988 13.89 -3.0 91 87 90 97 320 8.4 0.652 -0.047 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1140 Aspartic acid 14.0416 1510.1 >3 scans 73% TIC 0.046% 0.504% 756 0.8 522 485961 1.07% 5965593 5965593 12659712 0-0 0.998 14.09 -3.0 100 99 98 99 349 28.4 0.296 -0.045 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0785 1512.6 6.2 scans 96% TIC 0.019% 0.924% 760 0.6 616 1131808 1.66% 10936487 10693515 19640301 0-1 0.998 14.11 -2.1 99 98 98 99 273 26.4 0.184 -0.032 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1136 4-Hydroxy-Proline 14.1237 1515.6 >3 scans 12% 230 m/z 3.4% 0.00307% 764 1.0 40 6516 0.0809% 36326 36326 957169 0-0 3: 230 231 140 0.891 14.17 -2.7 81 83 44 84 332 5.8 2.053 -0.042 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1134 GABA 14.1953 1520.3 2.7 scans 78% 174 m/z (314) 0.16% 0.132% 771 1.0 255 135818 0.409% 1570397 1475569 4839086 5-1 16: 174 304 147 175 305 176 86 75 246 306 216 130 133 148 131 149 0.996 14.24 -3.1 96 96 96 98 304 80.2 9.885 -0.047 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN TAB_REP6-N1032 GABA 14.1963 1520.4 3.4 scans 84% TIC 0.16% 0.161% 771 1.3 264 133127 1.54% 1910994 1849190 18220520 0-5 0.977 14.19 0.6 99 98 96 98 304 79.5 9.064 0.008 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3657 1531.6 2.6 scans 90% TIC 0.36% 0.0755% 787 0.9 194 61200 0.374% 894215 732471 4424983 5-9 0.995 14.62 -17.0 99 98 98 98 409 15.5 0.640 -0.255 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6193 1548.4 2.5 scans 96% 73 m/z 0.084% 0.286% 811 1.0 413 266934 0.305% 3391473 3271168 3608609 1-1 20: 73 292 147 220 205 293 217 117 103 294 221 148 133 74 319 75 291 149 206 102 0.999 14.69 -4.8 100 98 98 99 409 31.7 0.589 -0.073 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1126 Pyrazine 15.0812 1579.1 2.6 scans 92% TIC 0.23% 0.140% 855 0.9 283 95432 1663832 1578379 1-1 0.989 15.13 -3.3 100 98 98 100 344 87.7 9.624 -0.051 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3863 1599.3 2.8 scans 31% 217 m/z (146) 2.7% 0.00396% 884 1.2 46 8151 0.0100% 46954 46954 118315 0-0 4: 217 218 129 219 0.845 15.44 -3.7 81 89 75 88 393 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1120 Glutamic acid 15.5095 1607.8 2.5 scans 91% TIC 0.33% 0.0592% 896 0.9 183 67806 0.106% 701184 701184 1254140 0-0 0.992 15.56 -3.5 98 96 96 99 363 18.9 1.069 -0.051 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1118 Phenylalanine 15.6094 1614.8 2.9 scans 52% 218 m/z 1.2% 0.0169% 905 1.2 93 17863 200216 188761 1-1 5: 218 192 219 266 100 0.719 15.66 -3.4 86 90 76 95 294 5.7 0.379 -0.050 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN TAB_REP6-N1042 Ribose 16.1029 1649.0 >2 scans 46% TIC 4.4% 0.00227% 952 1.3 59 5045 0.167% 26880 26880 1975862 0-0 0.937 16.10 0.0 90 90 77 91 307 20.6 12.332 -0.000 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1112 Asparagine?? 16.2197 1657.1 2.8 scans 93% TIC 0.17% 0.182% 963 0.9 314 131666 0.326% 2158272 2084017 3857071 0-2 0.990 16.26 -2.9 95 94 97 97 348 27.3 0.758 -0.042 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1108 Ribose 16.3238 1664.4 2.9 scans 86% TIC 0.48% 0.0602% 973 0.7 171 46485 0.274% 712635 658780 3241833 0-1 0.990 16.38 -3.5 95 93 95 98 467 4.6 0.072 -0.051 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6216 1685.0 4.2 scans 85% TIC 0.51% 0.0812% 1001 2.3 177 43776 0.140% 961532 961532 1656411 0-0 0.986 16.68 -3.8 99 99 96 99 497 5.1 0.084 -0.054 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9352 1707.2 3.0 scans 72% 73 m/z 0.69% 0.0362% 1031 1.2 153 32401 0.206% 429015 429015 2437290 0-0 20: 73 217 147 307 103 205 319 218 318 246 129 308 204 320 148 206 189 133 219 243 0.968 16.99 -3.9 96 96 96 97 422 6.0 0.155 -0.054 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0088 1712.5 3.2 scans 86% TIC 0.32% 0.0982% 1038 1.2 226 69800 1.13% 1163004 1163004 13369602 0-0 0.978 17.06 -4.0 90 89 93 90 510 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1098 UNKp_Cas 17.1min 1723 17.1067 1719.7 3.0 scans 14% 392 m/z (73) 1.3% 0.0238% 1047 1.0 104 17128 0.162% 281671 278228 1916704 0-3 20: 392 302 89 276 393 59 163 103 394 303 117 84 277 161 90 154 105 119 60 177 0.618 17.16 -3.7 90 92 87 95 436 12.8 1.506 -0.051 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1096 Putrescine 17.1930 1726.0 3.0 scans 50% 174 m/z (73) 0.59% 0.0234% 1056 1.5 102 37599 0.0260% 277562 269728 307619 1-0 11: 174 214 175 176 200 86 172 361 100 362 126 0.936 17.25 -4.0 93 94 93 98 458 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3929 1740.6 3.1 scans 77% TIC 0.90% 0.0326% 1075 1.2 132 24863 0.0381% 386301 383745 450780 1-0 0.979 17.44 -3.7 97 97 96 97 511 10.1 0.582 -0.050 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN WTF2-N1010 Glycerol-P 17.5034 1748.6 2.5 scans 76% 357 m/z (217) 0.50% 0.0743% 1085 1.1 206 44454 879166 840980 1-1 19: 357 299 358 445 315 300 370 211 359 387 301 446 371 328 285 256 316 447 373 0.992 16.97 39.1 90 96 93 97 445 35.8 3.034 0.535 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5897 1754.9 3.1 scans 88% TIC 0.096% 0.195% 1093 0.8 322 232532 1.75% 2312863 2312863 20705136 0-0 0.979 17.63 -3.1 94 93 93 95 450 53.2 2.726 -0.042 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1088 Glutamine?? 17.6938 1762.5 3.5 scans 94% 156 m/z 0.039% 1.08% 1103 0.5 661 575939 1.27% 12879011 11929309 15026013 3-5 20: 156 73 245 155 147 75 319 157 128 203 74 131 246 133 205 117 114 59 145 158 0.988 17.73 -2.4 82 80 88 89 511 6.4 0.009 -0.032 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1086 Fructofuranose 18.0810 1790.8 2.8 scans 93% TIC 0.051% 0.590% 1140 1.3 544 440600 1.19% 6990485 6829116 14079493 1-0 0.972 18.13 -3.8 95 92 94 97 437 159.3 8.589 -0.053 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN TAB_REP6-N1046 Shikimic acid 18.1315 1794.5 >2 scans 47% TIC 0.63% 0.0107% 1145 2.0 127 35189 0.625% 127035 127035 7394692 0-0 0.978 18.13 0.5 82 78 77 93 372 14.9 1.373 0.007 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1084 Shikimic acid 18.1389 1795.0 2.8 scans 23% 204 m/z 0.67% 0.0167% 1145 1.0 89 33107 0.0480% 197700 179501 567912 0-4 12: 204 255 254 357 447 358 267 282 373 283 239 195 0.957 18.20 -4.2 94 95 90 96 462 10.6 1.397 -0.058 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1082 Citric acid 18.2620 1804.2 2.6 scans 80% 273 m/z 0.13% 0.235% 1157 1.2 359 162783 0.376% 2780531 2622552 4448646 1-5 18: 273 147 363 375 347 274 465 275 285 211 149 148 348 364 376 221 466 305 0.957 18.32 -4.5 96 95 94 98 465 55.7 2.414 -0.059 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1080 Citrulline or Ornithine 18.3451 1810.5 2.6 scans 42% 256 m/z 1.9% 0.0142% 1165 1.1 92 11356 0.0445% 168341 159307 526502 1-3 10: 256 157 142 141 373 158 70 127 68 140 0.859 18.40 -4.3 85 88 78 90 416 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5977 1829.8 4.5 scans 61% 217 m/z 1.1% 0.0281% 1189 1.0 119 19816 0.0342% 332569 332569 404638 0-0 12: 217 73 319 191 204 147 218 192 219 103 321 205 0.960 18.67 -5.5 89 88 86 90 319 25.8 4.707 -0.071 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1076 Pregnane?? 18.7934 1844.7 3.4 scans 93% 345 m/z 0.055% 0.578% 1208 1.1 493 408230 6842807 6489222 1-1 20: 345 73 346 255 147 347 204 334 256 191 435 419 372 74 133 148 257 239 348 75 0.999 18.86 -5.0 100 99 99 100 537 37.9 0.592 -0.065 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1074 Adenine 18.8891 1852.0 2.9 scans 43% 264 m/z 0.65% 0.0199% 1217 1.2 99 34127 0.125% 235522 235522 1478938 0-0 13: 264 265 279 266 192 84 165 278 85 124 99 237 111 0.944 18.94 -3.9 91 89 89 95 415 11.6 1.374 -0.050 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1072 Fructose 19.0133 1861.5 5.8 scans 94% 73 m/z (182) 0.013% 5.38% 1228 0.3 1165 1622797 63678745 60173800 1-1 20: 73 307 217 147 308 277 218 133 364 205 189 117 191 148 204 172 173 129 335 263 0.999 19.03 -1.5 98 98 99 100 364 137.6 1.401 -0.020 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN TAB_REP6-N1052 Fructose 19.1332 1870.6 4.7 scans 96% 307 m/z 0.014% 3.93% 1240 0.4 1154 1591948 12.2% 46612314 46468431 144344380 1-1 20: 307 73 217 103 147 308 277 218 309 364 205 74 262 133 219 117 89 189 104 148 0.997 19.10 2.2 100 99 99 100 364 136.3 1.399 0.029 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1068 Galactopyranose 19.2511 1879.6 3.5 scans 55% 204 m/z 0.12% 0.149% 1251 1.2 267 184661 1.44% 1764948 1764948 17037369 0-0 13: 204 191 192 129 218 193 203 435 361 243 317 393 219 0.938 19.32 -4.9 97 97 91 97 435 20.8 0.611 -0.064 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN TAB_REP6-N1056 Glucose 19.3279 1885.5 4.6 scans 93% 318 m/z 0.014% 3.71% 1258 0.9 1099 1564200 43901700 43100889 1-2 6: 318 265 433 367 266 368 0.834 19.33 -0.3 97 96 82 98 364 79.4 0.523 -0.004 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1064 Mannose 19.3405 1886.5 4.1 scans 97% 319 m/z 0.010% 4.55% 1260 0.4 1293 2050420 4.75% 53940019 52883450 56199656 1-2 20: 319 73 205 147 160 320 217 103 321 206 117 229 129 133 157 74 189 148 204 161 0.997 19.45 -8.7 99 97 98 99 319 512.4 15.757 -0.114 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN BRA4_R~2-N1004 Galactose 19.3405 1886.5 4.1 scans 67% 319 m/z (307) 0.011% 3.19% 1260 0.4 1074 1902023 3.33% 37801081 37060639 39398917 1-2 20: 319 73 205 147 160 320 217 103 321 206 117 229 129 133 157 74 189 148 204 161 0.888 19.36 -1.6 81 92 77 83 364 31.2 0.000 -0.020 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1062 Glucose 19.5615 1903.5 2.8 scans 96% 319 m/z 0.034% 1.03% 1281 0.6 710 659463 1.06% 12231365 11984522 12541397 2-0 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 74 129 148 204 89 157 75 0.995 19.66 -7.6 95 93 92 99 319 255.8 13.029 -0.095 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1060 Lysine 19.6267 1908.7 2.8 scans 86% 174 m/z 0.30% 0.129% 1287 1.0 261 73352 0.640% 1530534 1457561 7572164 0-1 19: 174 317 73 156 128 230 318 175 100 86 434 200 176 319 59 88 74 115 130 0.996 19.69 -5.4 88 83 68 97 479 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7246 1916.6 2.8 scans 82% 73 m/z 0.41% 0.0744% 1296 1.1 206 54855 0.159% 880947 830585 1881210 1-1 20: 73 319 205 147 217 320 103 307 244 117 321 206 129 133 204 74 218 148 75 191 0.969 19.79 -5.3 93 92 91 95 434 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1056 Ascorbic acid 19.9140 1931.8 3.0 scans 27% 332 m/z 2.7% 0.00828% 1314 0.7 63 8064 0.0230% 98036 95722 272125 3-0 6: 332 333 334 359 449 361 0.702 19.99 -5.9 87 89 56 89 449 8.5 1.805 -0.072 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.3033 1963.1 2.9 scans 79% 73 m/z (394) 0.042% 0.668% 1351 1.0 585 528899 7908025 7881995 1-0 20: 73 217 147 205 218 189 74 129 133 75 148 117 305 435 149 219 291 131 203 231 0.982 20.41 -8.9 94 96 94 97 217 139.0 5.664 -0.111 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.3033 1963.1 2.9 scans 64% 73 m/z (204) 0.045% 0.541% 1351 1.0 526 498312 6407552 6386461 1-0 20: 73 217 147 205 218 189 74 129 133 75 148 117 305 435 149 219 291 131 203 231 0.959 20.30 0.6 94 96 91 97 433 53.5 1.035 0.007 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN GLAU_R~4-N1011 UNKp_Ntb Sugar 20.3min 1963 20.3096 1963.6 2.6 scans 50% 394 m/z (204) 0.10% 0.304% 1352 0.8 410 221833 3600220 3600220 0-0 20: 394 103 307 395 333 396 433 277 308 407 359 393 434 334 309 397 245 278 335 408 0.940 20.30 0.9 95 97 88 96 433 53.5 1.702 0.012 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1054 Gluconic acid 3 20.4716 1976.7 2.9 scans 66% 73 m/z 0.91% 0.0244% 1367 1.1 135 24484 0.128% 289714 289714 1514433 0-0 20: 73 333 292 147 319 334 205 293 103 423 305 217 117 335 435 433 359 320 294 204 0.964 20.55 -6.2 95 95 90 96 613 3.6 0.070 -0.077 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1048 Galactaric acid 21.0977 2028.2 4.2 scans 55% 333 m/z (313) 3.3% 0.0114% 1427 1.5 62 6694 0.0180% 135201 135201 212967 0-0 5: 333 292 334 296 335 0.917 21.15 -4.5 87 90 83 90 627 5.5 0.787 -0.053 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN WTF2-N1038 C16:0 21.1503 2032.6 2.9 scans 56% 313 m/z 2.1% 0.0168% 1432 1.1 88 10323 199678 177408 1-10 9: 313 117 314 132 145 55 328 57 269 0.878 20.62 44.3 83 89 87 95 328 10.6 1.455 0.533 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1044 myo-Inositol 21.7290 2081.3 12.2 scans 55% 305 m/z (306) 0.012% 8.61% 1487 1.0 1079 1842549 9.43% 101922011 97620090 111571107 1-0 5: 305 318 432 393 395 0.971 21.77 -3.1 83 82 39 93 612 38.5 0.128 -0.038 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.7595 2083.8 >11 scans 93% 147 m/z 0.011% 13.8% 1490 0.3 1397 2003713 15.5% 164077470 155991362 183388351 1-0 4: 147 303 202 397 0.998 21.75 0.9 100 99 98 99 507 100.3 0.517 0.011 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.9247 2097.7 7.6 scans 81% 319 m/z 0.44% 0.0680% 1505 1.0 185 50982 8.01% 804865 804865 94770367 0-0 20: 319 73 205 320 147 321 217 103 204 262 206 229 117 133 148 263 89 157 74 207 0.986 21.93 -0.4 93 92 94 95 656 0.0 0.000 -0.005 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN GUANINE-N1026 Guanine 3TMS STD 22.0331 2107.1 2.9 scans 3.9% 352 m/z 18% 0.000597% 1516 1.4 17 1237 7064 7064 0-0 1: 352 0.913 22.05 -1.3 85 89 55 89 367 7.0 16.462 -0.016 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2046 2122.1 2.6 scans 80% 396 m/z 0.29% 0.0905% 1532 1.0 225 76552 0.0975% 1071294 960317 1153572 1-4 19: 396 219 73 397 381 398 220 307 191 382 249 293 75 399 383 308 221 233 250 0.935 22.19 1.6 99 98 95 99 396 99.0 19.286 0.019 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6644 2162.2 3.1 scans 91% 204 m/z 0.16% 0.139% 1576 1.2 255 139756 0.313% 1646149 1597174 3703262 1-0 20: 204 73 205 147 217 206 131 117 191 75 218 74 129 103 133 189 148 219 203 149 0.993 22.71 -4.3 92 88 93 99 518 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1024 Glycerolgalactose 24.5342 2332.6 >4 scans 39% TIC 3.0% 0.00285% 1753 2.0 51 7413 0.342% 33755 33755 4046375 0-0 0.868 24.18 33.5 81 87 75 85 581 0.0 0.000 0.352 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6562 2344.2 3.0 scans 89% 73 m/z 0.11% 0.363% 1765 0.8 411 196522 0.440% 4297248 4073670 5205863 0-1 20: 73 331 147 191 217 421 307 205 262 319 103 332 422 305 259 74 333 117 218 376 0.976 24.65 0.6 95 92 94 99 466 26.5 0.416 0.006 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7477 2352.9 2.8 scans 89% 73 m/z 0.19% 0.222% 1774 1.0 329 116267 0.585% 2628946 2397469 6921431 1-3 20: 73 204 217 147 292 375 305 103 219 205 451 218 293 363 129 191 376 74 233 75 0.989 24.81 -5.5 98 97 97 98 451 39.3 1.427 -0.057 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3713 2512.2 2.8 scans 93% 204 m/z 0.024% 0.982% 1928 1.1 687 906033 1.97% 11622698 10765669 23308068 2-1 20: 204 73 495 205 147 217 206 496 363 117 273 497 129 130 74 319 103 131 191 231 0.996 26.35 2.2 99 98 99 98 495 137.9 4.063 0.021 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5396 2529.6 2.7 scans 6.9% 512 m/z 1.3% 0.0209% 1944 1.0 104 16223 248300 246743 0-2 16: 512 455 513 456 483 514 349 457 484 423 511 350 485 353 458 498 0.573 26.57 -3.5 87 87 50 92 512 45.6 19.204 -0.033 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1020 Sucrose 27.4172 2620.9 14.7 scans 10% 437 m/z (361) 0.040% 1.58% 2027 2.4 442 560636 1.68% 18760637 18064875 19876931 1-0 19: 437 438 345 453 220 347 333 321 293 183 335 464 306 291 207 463 348 173 277 0.705 27.46 -4.7 95 97 93 99 437 267.9 36.938 -0.044 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1018 Sucrose 27.4266 2621.9 14.6 scans 48% 361 m/z (217) 0.0069% 7.55% 2028 1.8 953 3256971 8.09% 89359300 86301490 95716888 1-0 16: 361 363 129 364 219 331 272 273 145 144 373 337 289 336 334 161 0.965 27.47 -4.6 83 86 54 85 437 267.9 7.978 -0.043 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1014 Sucrose 27.4298 2622.3 14.7 scans 93% TIC 0.0069% 14.6% 2028 1.8 1319 3225931 15.7% 173234749 167280830 185754653 1-0 0.999 27.49 -6.4 100 99 99 100 437 266.3 4.107 -0.060 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1016 Sucrose 27.4382 2623.2 14.6 scans 46% 217 m/z (361) 0.018% 7.46% 2029 1.4 935 1228245 8.12% 88366917 85477674 96071833 1-0 16: 217 271 191 148 189 257 332 245 259 241 203 163 177 139 274 235 0.979 27.48 -4.1 87 89 93 93 437 16.2 0.000 -0.039 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1010 Sucrose 27.4540 2624.9 >13 scans 96% 147 m/z 0.0072% 14.8% 2031 0.9 1322 3098088 16.2% 175306627 168993525 191670406 1-0 6: 147 129 133 131 170 175 0.999 27.58 -13.3 100 99 98 99 437 253.7 3.704 -0.125 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN LQC1-N1008 Sucrose 27.4919 2628.9 >12 scans 100% 73 m/z 0.0084% 12.6% 2034 0.2 1297 2664306 14.8% 149155256 144264884 175106297 1-0 4: 73 357 539 540 0.999 27.59 -10.6 100 99 97 99 437 229.1 3.138 -0.099 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN TAB_REP6-N1070 Sucrose 27.5266 2632.6 >2 scans 62% 361 m/z (333) 0.014% 1.36% 2038 1.6 1020 1562887 10.6% 16185892 16185892 125413969 0-0 20: 361 217 362 147 271 363 437 218 169 243 129 319 191 103 451 438 219 230 205 189 0.968 27.41 12.5 93 93 86 96 451 12.2 0.000 0.117 G:\GCMS data\Nicotiana Panel polar\N479_REP1.FIN GUA35_L1-N1020 Galactinol 30.4843 2965.1 3.1 scans 61% 204 m/z (345) 0.24% 0.120% 2319 1.0 233 93543 0.165% 1423760 1396240 1952199 3-1 20: 204 217 191 205 305 361 129 433 206 218 641 103 306 343 434 642 243 319 362 318 0.975 30.55 -7.3 92 93 92 98 641 24.5 1.111 -0.061 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN EXBLK5S-N1006 Contamination 6.5920 1061.4 2.8 scans 75% TIC 0.57% 0.0301% 48 1.8 115 42083 0.138% 351486 313295 1608023 1-3 0.973 6.63 -1.9 99 99 94 99 295 34.8 9.194 -0.033 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.7625 1071.5 >4 scans 27% 147 m/z 5.5% 0.00448% 64 1.3 39 4428 0.0105% 52300 40757 122350 0-4 2: 147 117 0.875 6.82 -3.4 86 83 82 95 295 2.9 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1194 Alanine 7.3864 1108.4 6.4 scans 85% 116 m/z 0.29% 0.104% 124 0.4 151 83965 0.147% 1217026 1169659 1712895 0-7 12: 116 73 147 190 59 100 74 148 218 103 94 101 0.989 7.40 -1.1 97 96 97 97 283 0.0 0.000 -0.018 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN A-KETO~2-N1006 Contamination?? 7.8810 1137.8 3.0 scans 59% 156 m/z 3.6% 0.00554% 171 1.4 47 6627 0.00846% 64596 60435 98579 1-0 4: 156 55 157 54 0.947 7.96 -4.4 98 98 91 98 156 27.0 32.347 -0.076 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1192 Contamination 7.9641 1142.7 2.9 scans 74% 73 m/z 2.8% 0.0102% 178 1.2 68 8498 0.0176% 119344 114791 205081 3-0 16: 73 147 220 133 235 146 152 148 59 86 72 160 103 89 167 100 0.982 7.99 -1.5 96 96 93 96 235 13.2 3.760 -0.025 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1188 Contamination 8.3745 1167.0 4.2 scans 87% 281 m/z 1.1% 0.0380% 217 1.3 101 21819 0.0428% 443302 375612 498720 9-5 17: 281 369 147 73 282 283 370 265 249 371 191 148 207 266 193 267 372 0.990 8.41 -2.4 98 97 82 100 369 29.6 8.608 -0.041 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1186 Phosphate 8.5270 1176.1 2.6 scans 89% 241 m/z 0.41% 0.0340% 232 1.2 128 58300 396902 384932 1-3 18: 241 242 211 133 163 243 256 195 135 89 59 257 137 98 181 121 119 134 0.989 8.56 -1.9 100 99 97 99 299 0.0 0.000 -0.034 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1184 Valine 9.1531 1213.0 3.3 scans 89% TIC 0.62% 0.0323% 291 1.1 107 39288 0.0618% 376966 362155 720115 5-1 0.991 9.19 -2.0 99 98 96 99 218 31.8 8.845 -0.035 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1180 Benzoic acid 9.7202 1246.2 3.1 scans 61% 179 m/z 3.6% 0.00704% 345 1.7 48 6749 82029 70474 16-4 6: 179 105 135 77 180 194 0.866 9.76 -2.3 97 98 90 97 194 7.6 2.449 -0.039 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1178 Ethanolamine 9.9906 1262.0 3.4 scans 88% TIC 0.58% 0.0347% 371 1.0 110 41740 6.86% 405034 355877 79935081 3-0 0.988 10.03 -2.5 99 99 97 99 262 12.3 1.253 -0.043 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN VEN77_S6-N1002 Glycerol 10.1348 1270.4 6.7 scans 98% 300 m/z 0.0047% 7.42% 385 0.2 1204 5170703 86536525 86505093 1-0 20: 300 73 301 283 315 133 207 193 191 316 147 302 225 135 74 284 75 208 131 115 1.000 10.09 2.4 99 98 95 99 299 754.2 39.514 0.041 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2453 1276.9 2.5 scans 90% TIC 0.40% 0.0415% 395 1.0 142 60902 7.02% 483822 461479 81799456 1-1 0.992 10.24 0.3 99 98 98 99 381 16.3 1.325 0.005 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1176 Isoleucine 10.4326 1287.9 2.6 scans 45% 158 m/z 1.7% 0.00555% 413 1.1 49 13986 0.00794% 64686 57142 92520 7-0 4: 158 159 232 160 0.988 10.46 -1.5 86 86 64 86 260 4.5 0.847 -0.026 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN TAB_REP6-N1012 Proline 10.5262 1293.3 2.9 scans 96% 142 m/z 0.011% 1.15% 422 0.7 684 2056333 1.24% 13486489 12578865 14448907 3-1 20: 142 73 143 147 216 144 75 74 72 59 66 217 148 133 100 244 218 58 170 101 1.000 10.53 -0.5 99 97 97 100 216 128.1 3.523 -0.007 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5904 1297.1 3.3 scans 90% TIC 0.13% 0.109% 428 0.8 226 176676 2.60% 1276415 1276415 30296095 0-0 0.993 10.60 -0.7 98 98 97 99 245 53.0 5.497 -0.012 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1170 Glycine 10.6483 1300.5 3.0 scans 71% 174 m/z 0.58% 0.0248% 434 1.0 111 41889 0.555% 289000 289000 6467051 0-0 18: 174 73 248 175 86 133 176 276 100 249 250 59 277 158 130 131 117 177 0.996 10.69 -2.3 94 93 89 93 276 18.0 2.619 -0.039 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7472 1306.5 3.2 scans 95% 147 m/z 0.014% 1.33% 443 0.7 701 1652341 15508906 14481139 1-1 20: 147 73 251 148 76 149 58 132 74 252 133 177 150 176 118 59 253 131 72 175 0.994 10.76 -0.6 99 97 96 99 251 174.9 6.246 -0.011 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1168 Glyceric acid 11.0123 1322.4 2.7 scans 96% 73 m/z 0.15% 0.197% 468 1.1 302 161639 2297140 2221059 1-3 20: 73 147 292 189 133 103 205 293 190 117 102 307 148 75 294 74 149 59 101 191 0.998 11.05 -2.5 100 99 99 100 292 92.9 9.474 -0.042 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0755 1326.2 3.6 scans 77% TIC 3.3% 0.00940% 474 1.1 68 7362 0.191% 109578 109578 2225598 0-0 0.995 11.06 0.7 96 95 94 98 285 22.0 10.319 0.012 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN TAB_REP6-N1018 Uracil 11.1291 1329.4 2.7 scans 65% 241 m/z 4.4% 0.00524% 479 1.6 46 5444 61086 54517 1-6 6: 241 256 99 255 242 113 0.908 11.15 -1.2 97 96 95 99 256 15.5 11.164 -0.019 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1164 Itaconic acid 11.2164 1334.7 3.1 scans 76% TIC 2.2% 0.0107% 488 0.7 65 10829 0.189% 125295 114915 2202293 0-1 0.972 11.25 -2.2 82 80 84 89 259 12.5 3.717 -0.036 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1162 Fumaric acid 11.3553 1343.1 2.8 scans 94% TIC 0.22% 0.115% 501 1.1 222 107273 1351050 1270380 2-1 0.998 11.39 -2.2 86 83 87 87 245 108.6 23.932 -0.038 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4511 1348.8 >4 scans 89% TIC 1.1% 0.0183% 510 1.4 90 20968 0.345% 213494 213494 4020059 0-0 0.991 11.45 0.3 94 91 97 99 145 25.8 8.236 0.005 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1160 Serine 11.5079 1352.3 2.7 scans 96% TIC 0.12% 0.229% 515 0.9 316 200620 0.245% 2668714 2593159 2854824 0-1 0.997 11.56 -2.9 100 99 98 99 306 32.3 1.044 -0.049 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN BRA4_R~2-N1008 Thymine 11.5889 1357.1 3.1 scans 57% 255 m/z 7.7% 0.00265% 523 1.3 32 3131 30965 30965 0-1 4: 255 156 270 256 0.969 11.58 0.3 91 91 84 94 270 8.9 7.696 0.005 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN TAB_REP6-N1024 Threonine 11.9172 1376.9 2.6 scans 96% 73 m/z 0.14% 0.219% 554 1.1 324 173042 2561266 2472267 1-2 20: 73 218 219 117 291 292 147 101 220 57 75 100 293 74 203 128 202 221 129 133 0.998 11.92 -0.2 100 98 99 100 320 30.9 0.912 -0.004 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1154 Threonine 11.9172 1376.9 2.6 scans 95% 73 m/z (240) 0.14% 0.222% 554 1.1 322 169735 2587380 2497474 1-2 20: 73 218 219 117 291 292 147 101 220 57 75 100 293 74 203 128 202 221 129 133 0.998 11.96 -2.6 97 97 97 99 320 31.0 0.925 -0.043 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1150 Citrulline 13.0304 1445.9 3.0 scans 86% TIC 1.4% 0.0403% 660 0.9 119 16672 0.0469% 470004 408911 546495 7-0 0.991 13.08 -2.9 92 89 93 96 258 14.5 1.469 -0.046 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1148 Glutamine?? 13.3124 1463.7 2.9 scans 95% 155 m/z 0.10% 0.188% 687 0.7 278 240108 2191481 2121668 1-1 20: 155 73 147 156 229 139 75 59 74 157 100 148 230 131 257 84 103 133 56 149 0.989 13.35 -2.2 98 97 99 100 257 22.2 0.641 -0.035 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1146 Malic acid 13.5660 1479.7 3.0 scans 99% 73 m/z 0.016% 1.99% 711 0.5 885 1516201 23220645 23220645 0-0 20: 73 147 233 245 133 189 190 148 75 191 175 335 149 74 234 55 101 217 265 59 0.999 13.62 -3.1 100 99 99 100 350 23.7 0.072 -0.051 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1144 Contamination Parabanica acid 13.7670 1492.3 3.1 scans 94% 243 m/z 0.16% 0.248% 730 0.8 318 143983 0.282% 2899743 2686063 3285961 2-2 20: 243 115 100 73 128 116 244 59 201 158 72 101 245 75 147 131 70 142 74 117 0.999 13.81 -2.5 100 100 99 100 243 125.9 15.640 -0.039 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1140 Aspartic acid 14.0311 1509.4 2.3 scans 49% 232 m/z 0.074% 0.216% 755 1.0 330 325326 2521060 2379023 1-3 18: 232 233 218 100 234 202 188 306 219 216 334 204 292 130 235 220 203 101 0.973 14.09 -3.7 97 97 89 97 349 20.1 0.372 -0.056 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0710 1512.1 5.6 scans 91% TIC 0.021% 1.24% 759 0.4 589 1141000 14533792 14533792 0-0 0.991 14.11 -2.6 99 98 97 99 273 25.4 0.186 -0.039 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1134 GABA 14.1952 1520.3 2.7 scans 90% 174 m/z 0.079% 0.281% 771 1.0 354 306627 0.782% 3276745 3149563 9112133 0-1 20: 174 304 73 147 175 305 176 75 86 216 59 306 143 246 133 172 100 130 148 74 0.994 14.24 -3.1 99 98 98 98 304 111.6 9.956 -0.047 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3646 1531.5 2.8 scans 90% TIC 0.39% 0.0861% 787 1.0 184 62121 1004306 831900 4-1 0.994 14.62 -17.1 99 98 98 99 409 14.4 0.609 -0.256 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6319 1549.3 2.8 scans 97% 73 m/z 0.024% 1.45% 812 0.7 793 1014397 16918323 16627707 1-0 20: 73 292 147 220 205 293 217 117 294 103 221 148 319 133 74 291 149 206 75 102 0.997 14.69 -3.9 100 100 100 100 409 63.7 0.646 -0.060 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1126 Pyrazine 15.0812 1579.1 2.5 scans 95% 73 m/z 0.17% 0.219% 855 0.9 328 143172 2556655 2477036 1-1 20: 73 227 344 301 147 345 154 228 302 139 346 211 329 126 59 303 128 229 74 133 0.990 15.13 -3.3 99 98 97 100 344 102.6 9.762 -0.051 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3852 1599.2 4.3 scans 61% TIC 2.0% 0.0111% 884 2.4 68 11790 0.123% 129795 127310 1433238 1-0 0.953 15.44 -3.8 82 79 80 89 393 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1120 Glutamic acid 15.5073 1607.7 2.6 scans 84% TIC 0.55% 0.0374% 895 1.0 134 43540 0.0594% 436919 426697 692149 1-0 0.975 15.56 -3.6 99 98 96 98 363 14.5 1.178 -0.053 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN TAB_REP6-N1042 Ribose 16.1060 1649.2 3.9 scans 63% TIC 2.5% 0.00913% 952 0.7 71 9655 0.223% 106447 106447 2598473 0-0 0.931 16.10 0.2 94 96 88 96 307 21.9 9.556 0.003 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1112 Asparagine?? 16.2081 1656.3 2.7 scans 83% 73 m/z 0.56% 0.0521% 962 1.0 166 42990 0.152% 608233 607767 1771156 0-1 20: 73 116 231 132 188 147 75 232 218 141 100 74 202 131 348 133 333 117 258 159 0.988 16.26 -3.7 96 95 97 97 348 13.9 0.704 -0.054 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1108 Ribose 16.3217 1664.2 2.8 scans 86% TIC 0.46% 0.0776% 973 0.6 170 52612 0.169% 905291 861017 1969246 2-0 0.972 16.38 -3.7 96 95 95 98 467 3.6 0.046 -0.053 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6184 1684.8 3.0 scans 83% TIC 0.67% 0.0461% 1001 1.5 154 36060 0.113% 537262 537262 1316715 0-0 0.990 16.68 -4.0 99 98 97 99 497 3.8 0.062 -0.058 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1104 Rhamnose 16.8815 1703.2 2.7 scans 68% 117 m/z 1.1% 0.0197% 1026 1.0 97 20336 0.0712% 230244 216805 829647 1-0 6: 117 160 277 147 321 233 0.960 16.93 -3.7 82 81 86 87 392 10.4 1.158 -0.051 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9309 1706.9 2.9 scans 64% 217 m/z 0.82% 0.0384% 1031 1.1 134 29551 0.552% 447672 447672 6432094 0-0 19: 217 147 205 319 307 103 218 129 320 308 206 204 189 243 247 309 317 191 203 0.916 16.99 -4.2 95 96 91 96 422 4.1 0.094 -0.058 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0046 1712.2 3.0 scans 85% 73 m/z 0.44% 0.0868% 1038 1.1 191 54821 0.645% 1012422 996356 7515762 0-1 20: 73 217 147 319 205 103 307 218 129 189 204 320 305 308 206 277 219 321 332 74 0.986 17.06 -4.3 93 93 94 93 510 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1098 UNKp_Cas 17.1min 1723 17.1035 1719.5 2.9 scans 44% 392 m/z (227) 0.70% 0.0329% 1047 1.0 116 34655 0.0659% 383745 364149 767889 1-2 19: 392 302 89 276 393 303 163 59 394 103 246 436 249 277 90 114 161 84 158 0.891 17.16 -3.9 83 81 49 94 436 9.9 0.729 -0.055 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1096 Putrescine 17.1919 1725.9 2.9 scans 39% 174 m/z 0.88% 0.0124% 1055 1.4 70 27473 144752 136957 1-2 6: 174 214 172 200 361 86 0.975 17.25 -4.1 89 88 83 91 458 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3886 1740.3 3.4 scans 77% TIC 0.76% 0.0438% 1074 1.4 134 31953 0.465% 510377 500861 5418340 2-0 0.971 17.44 -4.0 97 97 95 98 511 10.1 0.568 -0.054 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN WTF2-N1010 Glycerol-P 17.4886 1747.6 >4 scans 58% TIC 0.98% 0.0179% 1084 1.5 128 24629 0.349% 209649 209649 4066668 0-0 0.955 16.97 38.1 89 93 67 93 445 25.7 4.044 0.521 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5780 1754.1 2.9 scans 93% TIC 0.067% 0.312% 1092 0.9 370 361843 0.483% 3640154 3640154 5628082 0-0 0.986 17.63 -3.9 97 95 95 99 450 52.6 2.026 -0.054 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1088 Glutamine?? 17.6675 1760.6 2.8 scans 86% 156 m/z 0.10% 0.390% 1101 1.0 398 236535 0.791% 4546816 4251859 9217004 2-0 20: 156 73 155 245 147 75 157 347 203 128 74 292 131 246 218 145 114 100 158 133 0.988 17.73 -4.3 92 89 91 96 511 10.1 0.065 -0.059 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7106 1763.8 >5 scans 53% TIC 0.86% 0.0211% 1105 1.9 158 28074 0.463% 246295 246295 5395035 0-0 0.984 17.70 0.9 92 92 85 92 375 21.7 1.882 0.012 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1086 Fructofuranose 18.0715 1790.1 2.9 scans 83% 217 m/z 0.12% 0.248% 1139 1.1 324 187713 2895822 2638416 1-2 12: 217 437 438 218 439 257 219 103 230 215 303 440 0.986 18.13 -4.5 97 96 97 98 437 98.8 9.310 -0.062 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1084 Shikimic acid 18.1346 1794.7 2.9 scans 30% 204 m/z 0.45% 0.0275% 1145 0.8 101 53179 0.0440% 321508 271438 512703 4-3 17: 204 357 255 206 372 254 462 282 447 358 359 373 239 195 167 374 356 0.881 18.20 -4.5 95 96 83 96 462 13.0 1.644 -0.062 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1082 Citric acid 18.2567 1803.8 3.3 scans 82% TIC 0.15% 0.265% 1157 1.6 315 155454 0.793% 3089159 3089159 9240309 0-0 0.924 18.32 -4.9 98 97 96 99 465 47.2 2.241 -0.064 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1080 Citrulline or Ornithine 18.3419 1810.3 2.7 scans 35% 256 m/z 2.1% 0.0147% 1165 0.9 78 11421 0.0464% 171708 146160 540669 1-4 12: 256 157 142 257 158 141 373 258 99 140 68 358 0.692 18.40 -4.5 85 90 62 91 416 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5913 1829.3 4.8 scans 61% 217 m/z 1.0% 0.0390% 1189 1.2 113 22194 0.0512% 454675 454154 596600 0-1 11: 217 204 191 319 218 448 205 192 201 304 537 0.919 18.67 -6.0 82 83 84 85 319 21.0 3.436 -0.078 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1076 Pregnane?? 18.7944 1844.8 4.1 scans 97% 345 m/z 0.032% 1.25% 1208 1.2 613 749355 14636259 14627493 0-1 20: 345 73 346 255 147 347 334 256 204 191 419 435 372 74 133 257 348 148 537 239 0.999 18.86 -4.9 100 100 99 100 537 47.8 0.610 -0.064 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1074 Adenine 18.8838 1851.6 3.0 scans 49% 264 m/z 0.67% 0.0201% 1216 1.1 92 35977 0.198% 234900 227638 2307164 1-0 12: 264 265 279 266 280 192 84 99 237 165 85 124 0.970 18.94 -4.3 96 95 92 96 415 7.0 0.582 -0.055 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1072 Fructose 19.0080 1861.1 8.1 scans 97% 307 m/z 0.012% 6.85% 1228 0.6 1169 1946895 14.3% 79887662 78764962 166628521 1-0 20: 307 103 147 308 309 277 218 133 364 189 205 74 104 117 219 365 89 148 191 172 0.998 19.03 -1.9 100 98 99 99 364 137.6 1.391 -0.025 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN TAB_REP6-N1050 Fructose 19.0342 1863.1 >2 scans 95% 73 m/z 0.013% 2.47% 1231 2.5 1141 1864547 14.1% 28859455 28859455 164298052 0-0 20: 73 307 217 103 147 308 277 218 133 364 205 74 189 117 104 219 89 75 148 191 1.000 18.98 4.1 100 98 99 99 364 133.9 1.382 0.054 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN TAB_REP6-N1052 Fructose 19.1469 1871.7 6.2 scans 97% 310 m/z 0.014% 6.01% 1241 0.6 1133 1721538 20.0% 70059760 68965370 233046883 0-3 20: 310 555 376 556 337 143 192 300 114 432 377 128 58 222 159 85 228 242 247 402 0.997 19.10 3.3 100 99 99 99 364 138.1 1.490 0.043 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1068 Galactopyranose 19.2542 1879.9 >5 scans 65% 204 m/z 0.14% 0.178% 1251 1.2 256 163571 10.1% 2076458 2076458 117688676 0-0 19: 204 73 191 205 147 217 192 129 193 203 148 218 133 74 317 435 131 291 361 0.992 19.32 -4.6 97 95 95 98 435 17.4 0.459 -0.061 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1064 Mannose 19.3562 1887.7 7.5 scans 98% 305 m/z 0.010% 8.66% 1261 0.7 1245 2308639 100954665 100954665 0-0 11: 305 306 293 366 309 554 468 507 360 267 509 0.995 19.45 -7.5 100 99 98 99 319 504.0 16.439 -0.099 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN BRA4_R~2-N1004 Galactose 19.3720 1888.9 6.8 scans 69% 73 m/z (305) 0.010% 6.17% 1263 0.3 1096 2313798 71943842 70480454 5-2 20: 73 319 205 147 160 320 217 103 206 117 74 133 157 229 129 189 148 75 161 207 0.897 19.36 0.8 82 94 79 84 364 0.0 0.000 0.011 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN TAB_REP6-N1059 Glucose 19.5814 1905.1 3.1 scans 94% 319 m/z (174) 0.022% 2.20% 1283 0.5 877 1095143 25646881 23655083 2-4 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 74 129 148 157 204 189 89 0.999 19.55 2.4 98 99 99 99 376 37.8 0.186 0.029 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1062 Glucose 19.5814 1905.1 3.2 scans 94% TIC 0.022% 2.22% 1283 0.4 876 1101719 2.27% 25911557 23267625 26450821 2-1 0.993 19.66 -6.0 100 99 99 99 319 348.1 15.849 -0.075 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1060 Lysine 19.6319 1909.2 3.2 scans 56% 174 m/z 0.65% 0.0591% 1287 1.1 151 37039 0.166% 689506 669162 1934289 0-1 18: 174 317 156 318 128 230 175 100 434 86 176 200 228 157 88 115 329 130 0.913 19.69 -4.9 94 92 92 96 479 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7319 1917.2 2.7 scans 75% 319 m/z 0.73% 0.0438% 1297 1.0 149 33165 0.120% 510997 488370 1398281 1-2 15: 319 205 147 217 320 307 103 244 117 321 206 308 148 191 277 0.961 19.79 -4.7 93 92 91 96 434 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.3043 1963.2 2.8 scans 78% 73 m/z (394) 0.042% 0.729% 1351 1.1 563 576027 8502149 8412722 1-0 20: 73 147 217 205 218 74 129 189 133 148 435 75 305 149 117 219 203 131 291 231 0.972 20.41 -8.8 94 96 94 96 217 134.3 5.701 -0.110 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.3043 1963.2 2.8 scans 65% 73 m/z (204) 0.047% 0.605% 1351 1.1 513 518249 7055951 6981735 1-0 20: 73 147 217 205 218 74 129 189 133 148 435 75 305 149 117 219 203 131 291 231 0.955 20.30 0.7 95 96 91 97 433 54.9 1.147 0.008 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN GLAU_R~4-N1011 UNKp_Ntb Sugar 20.3min 1963 20.3106 1963.7 2.6 scans 59% 394 m/z 0.11% 0.424% 1352 0.9 443 218945 4947490 4797687 1-1 20: 394 103 307 395 333 396 433 277 308 393 407 359 334 434 309 331 397 278 279 405 0.587 20.30 1.0 96 98 76 98 433 53.4 1.451 0.013 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1050 Gluconic acid 20.4726 1976.7 2.7 scans 46% 333 m/z (217) 0.98% 0.0374% 1367 1.1 137 24660 0.0743% 436336 436336 865769 0-0 18: 333 292 319 334 305 335 293 359 433 423 294 435 117 321 307 277 360 424 0.927 20.65 -14.2 84 87 71 86 613 5.1 0.141 -0.175 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1054 Gluconic acid 3 20.4758 1977.0 3.1 scans 68% 73 m/z 0.58% 0.0421% 1368 1.1 166 41670 0.143% 491667 491667 1666285 0-0 20: 73 147 319 205 217 103 320 294 117 189 321 74 148 307 277 424 206 133 129 229 0.942 20.55 -5.9 97 97 93 98 613 5.2 0.100 -0.073 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1052 Gluconic acid 2 20.5242 1980.9 2.8 scans 62% 292 m/z 1.3% 0.0244% 1372 1.2 113 18038 0.107% 285049 285049 1246801 0-0 16: 292 319 205 293 333 305 433 359 294 320 103 321 334 307 230 189 0.920 20.60 -5.8 91 92 87 92 613 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1048 Galactaric acid 21.0913 2027.7 >4 scans 58% TIC 5.0% 0.00454% 1426 1.9 49 4869 0.0299% 52971 52971 348405 0-0 0.902 21.15 -5.0 87 90 81 89 627 3.3 0.455 -0.060 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN WTF2-N1038 C16:0 21.1481 2032.4 2.9 scans 73% 313 m/z 1.7% 0.0225% 1431 1.4 95 14249 263321 245035 1-13 16: 313 117 75 314 132 129 145 55 315 57 328 131 118 269 69 201 0.922 20.62 44.1 87 94 90 95 328 11.0 1.346 0.531 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN INOSIT~1-N1022 myo-Inositol 21.7142 2080.0 10.9 scans 8.1% 433 m/z (305) 0.10% 1.18% 1485 1.2 378 227419 13819413 13571739 1-1 6: 433 434 393 419 395 405 0.478 21.74 -2.3 85 95 69 94 507 99.5 6.924 -0.027 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1044 myo-Inositol 21.7289 2081.3 10.7 scans 62% 305 m/z (217) 0.012% 8.81% 1487 0.7 1069 1925930 9.81% 102661038 95644728 114309496 2-0 6: 305 318 293 369 294 268 0.992 21.77 -3.1 89 87 56 97 612 34.7 0.106 -0.038 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.7658 2084.4 10.2 scans 100% 73 m/z 0.011% 13.2% 1490 0.1 1371 2084416 153849665 153849665 0-0 20: 73 74 75 59 220 104 417 277 87 53 295 407 55 209 76 54 57 365 61 60 0.999 21.75 1.5 100 99 98 99 507 91.8 0.450 0.017 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1042 myo-Inositol 21.7700 2084.7 10.5 scans 73% 305 m/z (245) 0.012% 2.20% 1491 2.1 1172 2016927 10.8% 25661841 25661841 125845317 0-0 20: 305 217 147 318 191 306 204 265 319 218 307 133 129 320 291 192 367 148 219 221 0.960 21.77 -0.4 89 94 87 91 318 264.8 5.115 -0.004 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8773 2093.7 >4 scans 82% 319 m/z 0.56% 0.0744% 1501 1.3 163 43427 2.40% 867850 841448 27965626 4-0 13: 319 205 320 103 117 321 322 229 89 376 157 263 264 0.908 21.93 -4.4 94 94 94 96 656 3.2 0.038 -0.053 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN GUANINE-N1026 Guanine 3TMS STD 22.0267 2106.5 2.7 scans 24% 352 m/z 3.2% 0.00382% 1515 1.0 42 7488 44553 40772 1-3 5: 352 353 367 354 368 0.968 22.05 -1.9 93 94 62 93 367 16.6 15.719 -0.022 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2045 2122.1 2.5 scans 93% 396 m/z 0.11% 0.252% 1532 0.9 355 209515 0.264% 2942666 2811405 3076219 1-1 20: 396 219 73 397 381 398 220 191 307 319 382 249 293 75 147 399 205 74 383 308 0.999 22.19 1.6 97 94 92 99 396 151.8 18.254 0.019 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6601 2161.8 3.0 scans 91% 204 m/z 0.17% 0.131% 1575 1.5 230 137110 0.234% 1529958 1459096 2726649 2-0 20: 204 73 205 147 217 249 206 131 117 191 74 75 129 218 103 250 133 189 219 362 0.995 22.71 -4.7 93 88 93 99 518 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN WTF2-N1036 C18:0 23.3977 2227.5 3.0 scans 56% 341 m/z 2.0% 0.0195% 1645 1.5 87 11783 0.0250% 227923 213135 291309 1-4 12: 341 117 342 132 129 145 356 55 57 118 313 201 0.731 22.89 45.7 83 90 73 94 356 11.8 1.829 0.509 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1185 2293.4 >3 scans 44% TIC 2.3% 0.00295% 1714 1.1 58 10345 0.101% 34415 34415 1176887 0-0 0.877 24.01 9.9 83 83 78 91 490 0.0 0.000 0.108 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6509 2343.7 3.3 scans 93% 73 m/z 0.15% 0.331% 1764 1.0 357 162314 0.421% 3863468 3817246 4905637 0-1 20: 73 331 147 217 191 421 307 205 262 319 103 332 422 305 259 333 308 74 218 376 0.996 24.65 0.1 96 93 96 99 466 22.3 0.392 0.001 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7414 2352.3 2.8 scans 88% 73 m/z 0.30% 0.150% 1773 1.0 254 78982 1748285 1504401 1-2 20: 73 204 217 147 292 375 305 103 219 218 451 205 129 376 293 233 74 363 191 133 0.981 24.81 -6.1 98 97 97 97 451 30.6 1.453 -0.064 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3586 2510.9 2.8 scans 91% 204 m/z 0.071% 0.390% 1927 1.2 392 341666 1.19% 4554053 4153039 13866290 2-1 20: 204 73 495 205 147 217 496 206 117 273 363 497 319 129 130 74 231 103 131 259 1.000 26.35 0.9 98 97 98 98 495 76.9 3.858 0.009 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5333 2529.0 2.8 scans 8.9% 512 m/z 1.4% 0.0213% 1943 1.1 96 16742 248707 240917 1-1 14: 512 455 513 456 483 514 457 497 349 484 423 515 498 383 0.672 26.57 -4.1 90 91 54 92 512 42.9 19.865 -0.040 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN WTF2-N1032 Sucrose 26.6564 2541.7 3.4 scans 27% TIC 6.3% 0.00282% 1955 1.1 46 3861 32902 29658 0-1 0.722 26.87 -22.0 82 86 70 87 451 5.7 1.541 -0.214 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1008 Sucrose 27.4171 2620.9 13.4 scans 99% 362 m/z 0.0076% 15.2% 2027 1.9 1255 3167339 177536361 173974131 1-1 20: 362 364 320 204 231 365 332 345 291 143 347 116 346 201 260 441 306 183 173 374 0.997 27.59 -18.6 100 99 97 99 437 236.8 3.586 -0.174 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1014 Sucrose 27.4203 2621.3 13.4 scans 88% 361 m/z 0.0076% 12.5% 2028 1.5 1192 3187708 13.7% 145968584 143374866 159637115 1-0 13: 361 363 364 71 231 365 321 291 143 201 441 183 374 0.999 27.49 -7.4 100 99 99 99 437 246.2 4.298 -0.070 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1018 Sucrose 27.4203 2621.3 13.4 scans 46% 361 m/z (73) 0.0075% 6.73% 2028 1.5 868 3232001 7.39% 78533290 77137830 86110823 1-0 13: 361 363 364 71 231 365 321 291 143 201 441 183 374 0.887 27.47 -5.2 89 92 54 90 437 247.8 8.226 -0.050 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1010 Sucrose 27.4266 2621.9 13.5 scans 92% TIC 0.0075% 13.5% 2028 1.4 1219 3209497 14.9% 157510398 154960870 173619928 1-0 0.999 27.58 -16.3 100 99 97 99 437 245.1 4.076 -0.152 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1016 Sucrose 27.4297 2622.3 13.3 scans 48% 217 m/z (361) 0.016% 7.00% 2028 1.2 880 1449286 7.71% 81625855 80431305 89839573 1-0 16: 217 271 272 230 149 189 305 221 192 150 220 293 303 175 304 177 0.936 27.48 -5.0 86 88 92 94 437 15.6 0.000 -0.047 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1020 Sucrose 27.4876 2628.5 >4 scans 8.0% 437 m/z (73) 0.059% 0.403% 2034 4.4 338 406650 1.46% 4707421 4668015 17012422 0-1 11: 437 451 439 452 453 292 247 278 377 65 431 0.511 27.46 2.9 95 97 96 99 437 211.5 39.146 0.027 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN TAB_REP6-N1070 Sucrose 27.5045 2630.3 >2 scans 82% 73 m/z (437) 0.013% 2.13% 2036 2.4 1087 1831772 12.9% 24825033 24114495 150315239 0-1 20: 73 361 217 147 103 129 169 271 243 218 74 191 75 319 117 133 189 204 272 219 0.998 27.41 10.2 88 86 66 98 451 11.8 0.000 0.094 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN LQC1-N1006 Trehalose 28.3936 2726.5 3.1 scans 33% 361 m/z (209) 3.1% 0.00796% 2120 0.8 52 7769 0.0252% 92797 82821 293639 0-1 3: 361 362 363 0.848 28.47 -8.4 83 88 68 89 565 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN GUA35_L1-N1020 Galactinol 30.4790 2964.5 3.0 scans 92% 204 m/z 0.11% 0.283% 2318 1.0 340 214737 0.312% 3305058 3136562 3635531 3-6 20: 204 217 73 147 191 205 305 361 129 206 218 433 103 641 306 319 192 434 642 169 0.948 30.55 -7.9 93 91 93 99 641 34.6 1.039 -0.066 G:\GCMS data\Nicotiana Panel polar\N479_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6354 3101.8 >5 scans 68% TIC 2.5% 0.0136% 2428 1.4 64 9531 1.82% 159052 136410 21207266 0-10 0.949 31.68 -4.8 92 92 84 91 597 11.8 3.420 -0.040 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN EXBLK5S-N1006 Contamination 6.5918 1061.3 2.8 scans 69% 207 m/z 0.77% 0.0351% 48 2.0 96 31000 0.0732% 348860 249668 726425 12-4 15: 207 295 73 208 209 191 297 296 279 193 177 192 189 210 247 0.981 6.63 -2.0 98 98 94 98 295 29.4 9.355 -0.033 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.7802 1072.5 10.1 scans 21% 117 m/z 4.9% 0.00703% 66 0.6 34 4885 0.0122% 69801 56191 121071 0-4 2: 117 147 0.738 6.82 -2.4 82 83 66 94 295 2.6 0.000 -0.041 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1194 Alanine 7.3978 1109.1 7.8 scans 87% TIC 0.38% 0.117% 125 0.5 124 61943 0.186% 1162476 1152849 1845834 0-1 0.992 7.40 -0.4 97 96 96 97 283 3.1 0.065 -0.006 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN A-KETO~2-N1006 Contamination?? 7.8966 1138.7 3.1 scans 58% 156 m/z 4.7% 0.00575% 172 1.4 43 5020 0.0110% 57085 57085 109162 0-0 3: 156 55 157 0.909 7.96 -3.5 96 98 91 97 156 22.5 27.765 -0.060 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1192 Contamination 7.9786 1143.5 2.8 scans 79% 73 m/z 2.0% 0.0158% 180 1.3 76 11654 0.0200% 157571 152341 198477 1-0 18: 73 147 133 220 235 146 59 148 72 160 152 86 89 100 103 74 149 131 0.983 7.99 -0.7 98 98 96 98 235 14.2 3.549 -0.010 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1188 Contamination 8.3743 1167.0 4.5 scans 84% 281 m/z 1.3% 0.0390% 217 1.4 87 18078 0.0440% 387128 317386 436649 7-7 12: 281 369 147 73 282 283 265 370 249 371 148 207 0.969 8.41 -2.4 99 98 85 99 369 25.9 8.865 -0.041 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1186 Phosphate 8.5395 1176.8 2.6 scans 93% 241 m/z 0.25% 0.0687% 233 1.2 160 95338 682226 679318 0-2 20: 241 242 211 133 163 243 256 73 135 195 98 59 89 137 181 212 134 119 257 225 0.992 8.56 -1.2 100 99 98 100 299 0.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1184 Valine 9.1603 1213.4 3.3 scans 76% 144 m/z 1.4% 0.0147% 292 0.8 64 16741 0.0163% 146116 132760 161759 6-2 7: 144 73 218 145 219 146 100 0.963 9.19 -1.6 97 97 91 98 218 19.9 9.521 -0.028 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1180 Benzoic acid 9.7295 1246.7 3.2 scans 65% 179 m/z 3.5% 0.00776% 346 1.2 48 6722 0.00868% 77101 72669 86139 1-0 5: 179 105 135 77 180 0.827 9.76 -1.8 96 97 90 97 194 6.6 1.903 -0.029 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1178 Ethanolamine 9.9936 1262.2 3.8 scans 85% 174 m/z 0.64% 0.0418% 371 1.1 101 37576 1.09% 415082 365144 10816982 6-0 12: 174 73 175 100 176 86 133 130 59 131 114 74 0.991 10.03 -2.3 100 99 98 99 262 10.9 1.159 -0.040 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN VEN77_S6-N1002 Glycerol 10.1293 1270.1 6.2 scans 100% 302 m/z 0.0049% 7.69% 384 0.4 1125 4903830 76320196 76317376 1-0 20: 302 205 285 303 190 270 196 223 239 66 139 271 304 122 60 152 101 256 161 164 0.995 10.09 2.1 99 98 95 99 299 704.6 39.456 0.035 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2503 1277.2 2.5 scans 89% 73 m/z 0.54% 0.0348% 396 1.0 116 44318 346084 331567 1-1 19: 73 198 77 211 199 70 74 381 239 200 212 289 72 63 143 170 142 92 56 0.995 10.24 0.6 99 98 97 99 381 13.3 1.317 0.010 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1176 Isoleucine 10.4418 1288.4 2.9 scans 18% 158 m/z 3.5% 0.00292% 414 1.1 31 6691 0.0159% 29002 28491 157789 1-0 3: 158 159 218 0.985 10.46 -1.0 83 84 59 84 260 0.0 0.000 -0.017 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN TAB_REP6-N1012 Proline 10.5355 1293.9 3.0 scans 96% 142 m/z 0.0087% 1.92% 423 0.6 759 2757744 2.03% 19093869 17859506 20145388 3-0 20: 142 73 143 147 216 144 75 72 74 59 217 66 133 148 100 244 218 131 101 58 1.000 10.53 0.1 99 97 97 100 216 143.6 3.597 0.002 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN TAB_REP6-N1014 Maleic acid 10.5955 1297.4 3.2 scans 85% 147 m/z 0.15% 0.120% 429 1.0 205 158518 1.94% 1197321 1197321 19252243 0-0 20: 147 73 245 148 75 149 83 246 133 115 74 84 170 247 126 54 215 66 155 58 0.993 10.60 -0.4 98 98 97 99 245 48.9 5.688 -0.007 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1170 Glycine 10.6533 1300.8 3.0 scans 78% TIC 0.35% 0.0412% 434 1.1 145 67124 3.21% 408999 408999 31855515 0-0 0.994 10.69 -2.0 99 98 98 99 276 21.8 2.272 -0.034 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7533 1306.8 3.5 scans 96% TIC 0.015% 1.68% 444 0.6 656 1590835 3.86% 16697361 15861089 38306008 2-2 0.995 10.76 -0.3 99 97 96 99 251 161.1 6.056 -0.005 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1168 Glyceric acid 11.0184 1322.8 2.7 scans 97% 73 m/z 0.096% 0.370% 469 0.9 362 248244 3672449 3557186 1-1 20: 73 147 292 189 133 103 205 293 117 307 148 102 190 75 74 294 191 149 59 101 0.999 11.05 -2.1 100 99 99 100 292 111.7 9.545 -0.036 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0816 1326.6 2.9 scans 48% 184 m/z 9.8% 0.00299% 475 0.9 31 2450 0.00737% 29695 29695 73139 0-0 4: 184 285 134 174 0.919 11.06 1.1 85 85 62 90 285 12.0 14.519 0.019 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN TAB_REP6-N1018 Uracil 11.1352 1329.8 2.7 scans 62% 241 m/z 5.9% 0.00466% 480 1.3 40 4046 46334 44240 0-6 6: 241 255 99 256 242 113 0.926 11.15 -0.8 97 97 95 100 256 13.4 11.375 -0.013 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1164 Itaconic acid 11.2194 1334.9 3.0 scans 68% TIC 2.7% 0.00853% 488 0.7 54 8844 0.283% 84652 76301 2808446 0-2 0.909 11.25 -2.0 84 80 82 92 259 10.8 3.941 -0.033 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1162 Fumaric acid 11.3572 1343.2 2.7 scans 94% 245 m/z 0.29% 0.0809% 501 1.1 169 81936 802954 758868 3-1 20: 245 147 73 246 75 143 247 240 83 133 148 149 115 155 74 53 84 61 157 54 0.996 11.39 -2.1 97 95 96 97 245 91.1 29.126 -0.036 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4530 1348.9 >3 scans 89% TIC 1.1% 0.0214% 510 1.4 86 20353 0.489% 212446 210347 4852756 1-0 0.985 11.45 0.4 94 92 97 99 145 24.6 8.222 0.007 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1160 Serine 11.5130 1352.6 2.7 scans 97% 204 m/z 0.072% 0.421% 516 0.8 384 332741 4179858 4054357 1-1 20: 204 73 218 205 147 100 219 188 278 206 133 220 75 306 74 116 189 59 216 132 0.998 11.56 -2.6 100 99 99 100 306 40.9 1.135 -0.044 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN BRA4_R~2-N1008 Thymine 11.5908 1357.2 3.0 scans 44% 255 m/z 5.9% 0.00229% 523 1.4 27 4040 22781 22781 0-0 3: 255 256 270 0.667 11.58 0.4 96 96 77 99 270 9.3 11.893 0.007 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN TAB_REP6-N1024 Threonine 11.9170 1376.9 2.5 scans 96% 73 m/z 0.18% 0.192% 554 1.0 269 131912 1910881 1840596 1-1 20: 73 218 219 291 117 292 147 101 220 57 75 100 128 293 74 203 129 133 202 221 0.999 11.92 -0.2 100 99 99 100 320 24.4 0.818 -0.004 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1150 Citrulline 13.0302 1445.9 2.7 scans 80% 128 m/z (350) 1.8% 0.0246% 660 1.1 91 13084 244896 214089 2-4 10: 128 243 115 141 100 117 169 244 247 248 0.976 13.08 -2.9 83 82 87 93 258 9.9 1.189 -0.046 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1148 Glutamine?? 13.3038 1463.1 2.8 scans 94% 155 m/z 0.15% 0.135% 686 0.8 218 156444 1339828 1293724 1-1 20: 155 73 147 156 139 229 75 59 74 157 100 148 84 103 257 114 133 131 230 56 0.993 13.35 -2.8 96 93 97 99 257 17.1 0.615 -0.043 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1146 Malic acid 13.5553 1479.0 2.6 scans 98% 73 m/z 0.021% 1.52% 710 0.5 727 1124358 15111967 15106260 1-0 20: 73 147 233 245 133 189 190 148 75 175 191 335 74 149 101 55 234 265 307 217 0.998 13.62 -3.8 100 100 99 100 350 19.0 0.068 -0.062 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1144 Contamination Parabanica acid 13.7636 1492.1 2.8 scans 96% 243 m/z 0.18% 0.255% 730 0.7 291 129524 2539625 2472351 3-0 20: 243 115 100 73 128 116 244 59 201 158 72 245 101 75 131 70 147 142 117 74 1.000 13.81 -2.7 100 99 99 100 243 114.4 15.400 -0.042 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0309 1509.4 2.2 scans 40% 232 m/z (73) 0.064% 0.238% 755 1.0 311 375563 2364376 2230961 1-2 17: 232 233 218 100 234 202 188 306 216 219 334 130 292 204 203 101 220 0.978 14.02 0.9 91 91 86 96 258 7.4 0.000 0.014 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1140 Aspartic acid 14.0340 1509.6 5.0 scans 77% TIC 0.054% 0.641% 755 1.4 432 440391 0.918% 6369025 6188682 9110082 1-0 0.999 14.09 -3.5 100 99 99 100 349 23.8 0.304 -0.053 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0593 1511.3 3.1 scans 96% 156 m/z (232) 0.028% 0.762% 758 0.5 475 835756 7571106 7516734 1-0 12: 156 258 157 230 158 259 231 140 121 58 112 155 1.000 14.11 -3.4 97 97 97 99 273 20.1 0.180 -0.051 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1134 GABA 14.1929 1520.2 2.8 scans 90% TIC 0.085% 0.346% 770 1.0 331 280828 0.390% 3435360 3181187 3870296 0-2 0.988 14.24 -3.2 99 98 97 98 304 102.4 9.605 -0.049 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN TAB_REP6-N1032 GABA 14.1929 1520.2 2.7 scans 91% 174 m/z 0.083% 0.318% 770 1.0 332 287605 0.330% 3165505 3077979 3274866 0-1 20: 174 304 73 147 175 305 176 86 75 216 306 59 246 143 133 172 148 130 74 131 0.989 14.19 0.4 99 98 98 99 304 103.0 9.636 0.005 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3634 1531.5 2.8 scans 88% TIC 0.44% 0.0863% 787 0.6 160 53665 0.823% 857082 773999 8167317 4-2 0.986 14.62 -17.1 99 98 97 98 409 12.9 0.651 -0.258 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6201 1548.5 2.4 scans 97% 73 m/z 0.043% 0.754% 811 0.9 545 550783 7487868 7242823 1-1 20: 73 292 147 220 205 293 217 117 103 294 221 148 133 74 319 291 75 206 149 102 1.000 14.69 -4.7 100 99 98 99 409 42.3 0.603 -0.072 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1126 Pyrazine 15.0747 1578.6 2.6 scans 89% 73 m/z 0.34% 0.125% 854 1.1 214 69988 1241429 1241429 0-0 20: 73 227 344 301 147 345 228 154 302 139 346 211 126 329 303 229 74 59 128 133 0.966 15.13 -3.8 100 99 98 99 344 65.9 9.446 -0.057 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3809 1598.9 2.6 scans 51% 217 m/z (146) 2.4% 0.00698% 883 1.5 50 9781 0.0118% 69355 68488 117101 1-0 4: 217 218 258 219 0.905 15.44 -4.1 85 87 78 90 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1120 Glutamic acid 15.5061 1607.6 2.5 scans 88% 246 m/z 0.42% 0.0514% 895 1.1 145 56083 510495 498904 1-1 20: 246 73 247 128 147 348 248 75 156 230 84 363 349 100 218 56 74 129 149 320 0.992 15.56 -3.7 99 99 97 99 363 14.8 1.037 -0.054 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN TAB_REP6-N1042 Ribose 16.1037 1649.1 2.7 scans 52% 307 m/z (227) 2.9% 0.0107% 952 0.9 61 8084 0.0289% 106303 101506 286799 1-1 5: 307 103 308 277 160 0.929 16.10 0.1 91 95 85 94 307 20.6 11.440 0.001 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1112 Asparagine?? 16.2089 1656.4 2.8 scans 89% TIC 0.35% 0.102% 962 1.0 200 67791 0.374% 1013400 1013400 3711515 0-0 0.990 16.26 -3.6 95 93 96 98 348 16.5 0.685 -0.053 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1108 Ribose 16.3215 1664.2 2.8 scans 87% TIC 0.40% 0.0891% 973 0.7 173 59617 0.259% 884242 866561 2570274 2-0 0.983 16.38 -3.7 96 95 95 98 467 4.9 0.080 -0.053 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6182 1684.8 3.0 scans 83% TIC 0.72% 0.0519% 1001 1.5 141 33039 0.116% 515307 515307 1151165 0-0 0.989 16.68 -4.0 100 99 97 99 497 3.5 0.062 -0.058 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1104 Rhamnose 16.8781 1703.0 2.8 scans 61% 117 m/z 1.3% 0.0193% 1026 1.1 82 17563 0.0490% 192165 187021 486268 1-0 8: 117 160 277 118 161 321 278 119 0.892 16.93 -3.9 82 86 81 87 392 10.3 1.585 -0.054 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9318 1706.9 2.8 scans 83% 73 m/z 0.43% 0.0743% 1031 1.0 175 55612 0.860% 738222 738222 8534499 0-0 20: 73 318 246 147 205 217 319 307 103 117 320 247 74 133 129 218 206 248 148 149 0.974 16.99 -4.2 82 81 85 84 422 4.4 0.063 -0.057 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0033 1712.1 3.0 scans 89% TIC 0.39% 0.113% 1038 1.2 191 61021 1.10% 1128429 1082460 10916220 0-1 0.991 17.06 -4.4 91 90 93 90 510 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN TAB_REP6-N1044 Putrescine 17.1906 1725.8 2.8 scans 76% 174 m/z (217) 0.35% 0.0553% 1055 1.3 132 68148 549055 522190 1-1 9: 174 214 176 200 86 172 361 100 362 0.971 17.19 0.2 85 81 85 98 376 8.5 0.410 0.003 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1096 Putrescine 17.1906 1725.8 2.8 scans 52% 174 m/z 0.34% 0.0376% 1055 1.3 110 69361 373462 355189 1-1 9: 174 214 176 200 86 172 361 100 362 0.984 17.25 -4.2 94 94 89 95 458 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3874 1740.2 3.1 scans 77% TIC 0.97% 0.0372% 1074 1.5 116 24692 0.497% 370044 369693 4932147 1-0 0.967 17.44 -4.1 97 97 96 98 511 7.6 0.431 -0.056 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN WTF2-N1010 Glycerol-P 17.4874 1747.5 2.6 scans 45% 357 m/z 1.0% 0.0340% 1084 1.1 110 23559 338204 331483 1-1 19: 357 299 445 358 315 370 300 211 387 359 301 446 316 447 328 285 373 241 388 0.926 16.97 38.0 84 88 56 89 445 24.7 5.011 0.519 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5768 1754.0 2.8 scans 90% TIC 0.087% 0.268% 1092 0.9 311 276069 0.514% 2667930 2406253 5100852 0-1 0.989 17.63 -4.0 94 93 95 97 450 50.7 2.656 -0.055 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1088 Glutamine?? 17.6620 1760.2 3.0 scans 89% TIC 0.13% 0.335% 1100 1.3 330 174073 1.18% 3333882 3333882 11710127 0-0 0.983 17.73 -4.7 92 90 93 95 511 6.8 0.043 -0.064 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6978 1762.8 >3 scans 62% TIC 0.88% 0.0469% 1104 3.1 154 27149 0.472% 465801 465801 4684051 0-0 0.992 17.70 -0.1 92 91 88 94 375 19.3 1.583 -0.001 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1086 Fructofuranose 18.0871 1791.2 2.8 scans 95% 217 m/z 0.024% 1.70% 1141 0.6 733 989879 2.69% 16946217 16309835 26695120 0-4 20: 217 73 437 147 438 218 439 219 257 191 74 129 103 133 230 215 303 319 189 148 0.997 18.13 -3.4 94 91 93 96 437 225.6 9.510 -0.047 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN TAB_REP6-N1046 Shikimic acid 18.1355 1794.8 >2 scans 39% TIC 0.47% 0.0118% 1145 1.3 134 50791 1.31% 118001 118001 13000226 0-0 0.953 18.13 0.8 81 77 75 93 372 16.1 1.453 0.011 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1084 Shikimic acid 18.1376 1794.9 2.8 scans 27% 204 m/z 0.40% 0.0290% 1145 1.0 112 59620 0.122% 288740 288740 1210708 0-0 19: 204 205 206 254 357 372 462 358 282 356 267 283 447 239 256 181 167 448 374 0.841 18.20 -4.3 96 97 95 98 462 13.9 1.536 -0.059 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1082 Citric acid 18.2597 1804.0 2.7 scans 66% 273 m/z 0.11% 0.279% 1157 1.0 322 202214 2776582 2590615 1-2 20: 273 347 363 375 274 465 275 211 364 149 376 348 466 305 257 183 221 377 285 467 0.822 18.32 -4.7 96 96 93 98 465 45.5 1.999 -0.061 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN TAB_REP6-N1048 Citric acid 18.2597 1804.0 2.7 scans 27% 273 m/z (73 191) 0.19% 0.119% 1157 1.0 207 125988 1189698 1110015 1-2 20: 273 347 363 375 274 465 275 211 364 149 376 348 466 305 257 183 221 377 285 467 0.813 18.24 1.2 83 89 48 91 465 46.0 4.959 0.016 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5858 1828.9 3.6 scans 76% 217 m/z 0.29% 0.0991% 1188 1.2 181 80601 0.102% 984128 983203 1012231 0-1 17: 217 73 218 147 219 189 305 332 345 148 190 306 435 149 131 206 271 0.984 18.67 -6.4 94 93 91 94 319 36.5 4.071 -0.083 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1076 Pregnane?? 18.8026 1845.4 3.0 scans 97% 345 m/z 0.015% 2.25% 1209 0.6 833 1555114 22360366 21704661 1-1 20: 345 73 346 255 147 347 334 204 191 256 435 419 372 133 257 239 148 348 74 537 0.999 18.86 -4.3 100 100 99 100 537 66.6 0.645 -0.055 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1074 Adenine 18.8826 1851.5 2.9 scans 49% 264 m/z 0.44% 0.0396% 1216 1.2 114 54221 0.104% 393166 377220 1032079 1-0 15: 264 279 265 266 280 192 84 165 237 281 111 85 99 164 180 0.964 18.94 -4.4 95 93 84 97 415 6.7 0.344 -0.056 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1072 Fructose 18.9941 1860.0 4.4 scans 96% 73 m/z 0.015% 4.43% 1227 0.5 1006 1549807 44056766 42843392 2-0 20: 73 307 217 103 147 308 277 218 309 133 364 205 189 74 117 104 219 148 89 191 1.000 19.03 -3.0 100 98 99 100 364 118.3 1.386 -0.039 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN TAB_REP6-N1052 Fructose 19.1204 1869.7 3.7 scans 95% 73 m/z 0.016% 3.53% 1239 0.5 976 1434316 11.9% 35089725 33769349 118093653 3-0 20: 73 307 217 103 147 308 218 277 309 364 205 262 74 133 117 219 89 189 104 148 0.999 19.10 1.3 100 99 99 100 364 114.6 1.383 0.016 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1068 Galactopyranose 19.2498 1879.5 3.0 scans 84% 204 m/z 0.026% 0.901% 1251 1.1 570 924615 5.53% 8945298 8945298 54878815 0-0 19: 204 73 191 147 205 217 206 192 129 218 133 193 189 74 117 148 203 75 305 0.989 19.32 -5.0 99 97 96 99 435 44.4 0.608 -0.065 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1064 Mannose 19.3298 1885.6 3.6 scans 92% 319 m/z (318) 0.011% 4.82% 1259 0.4 1114 2018747 7.99% 47872199 43715725 79291453 0-1 20: 319 73 205 147 160 320 217 321 103 206 117 229 74 129 133 157 189 207 148 161 0.989 19.45 -9.6 98 99 98 99 319 452.1 16.546 -0.125 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5149 1899.8 2.8 scans 44% 174 m/z (305) 0.067% 0.233% 1276 1.0 276 354839 2319815 2221300 1-2 13: 174 175 338 86 176 339 179 340 250 264 165 180 124 0.985 19.49 2.0 87 88 84 92 338 65.2 5.612 0.025 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1062 Glucose 19.5518 1902.7 2.7 scans 88% 319 m/z 0.044% 0.996% 1280 0.6 574 535684 9886279 9880732 1-0 14: 319 205 147 320 160 103 217 321 133 229 204 148 157 89 0.979 19.66 -8.4 99 98 95 98 319 225.8 15.476 -0.104 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1060 Lysine 19.6180 1908.0 2.7 scans 66% 317 m/z 1.0% 0.0455% 1286 1.0 128 22341 0.336% 451967 405370 3334409 0-2 16: 317 174 156 128 230 318 175 100 86 434 176 200 88 115 114 228 0.955 19.69 -6.1 92 91 73 97 479 3.1 0.060 -0.075 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7180 1916.1 2.8 scans 73% 73 m/z 0.95% 0.0385% 1296 1.1 124 25095 0.129% 382781 380685 1280175 1-0 18: 73 319 205 147 217 320 307 103 321 117 206 148 133 218 74 229 189 345 0.943 19.79 -5.8 91 90 88 94 434 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.3083 1963.5 2.7 scans 95% TIC 0.014% 2.33% 1352 0.6 892 1681299 23147283 21287329 1-1 1.000 20.41 -8.5 89 86 95 92 217 211.9 5.684 -0.106 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1054 Gluconic acid 3 20.4735 1976.8 2.7 scans 72% 73 m/z 0.96% 0.0329% 1367 1.3 123 24951 0.101% 326864 326864 1002307 0-0 20: 73 333 147 292 319 205 334 293 103 305 217 204 214 335 359 346 189 320 117 294 0.969 20.55 -6.1 94 94 92 95 613 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1050 Gluconic acid 20.5745 1984.9 2.5 scans 44% 292 m/z 4.5% 0.00933% 1377 1.1 58 5234 0.0668% 92635 79106 662912 0-1 2: 292 333 0.875 20.65 -6.0 82 83 70 82 613 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1048 Galactaric acid 21.0880 2027.4 3.5 scans 59% TIC 3.2% 0.00761% 1426 1.3 56 7323 0.0355% 75578 75578 352296 0-0 0.911 21.15 -5.3 89 90 82 90 627 4.1 0.533 -0.063 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN WTF2-N1038 C16:0 21.1437 2032.1 2.9 scans 76% TIC 1.6% 0.0241% 1431 1.0 95 15014 0.0456% 239862 233004 452527 0-2 0.957 20.62 43.8 80 83 87 95 328 10.5 1.227 0.527 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.7246 2080.9 10.8 scans 98% 306 m/z 0.011% 16.8% 1486 0.9 1273 2069438 166984834 166861219 1-0 6: 306 320 432 367 267 295 0.997 21.75 -2.0 100 99 99 99 507 95.2 0.562 -0.024 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN INOSIT~1-N1022 myo-Inositol 21.7246 2080.9 10.8 scans 10% 306 m/z (305) 0.099% 1.80% 1486 0.9 416 242634 17900070 17886819 1-0 6: 306 320 432 367 267 295 0.654 21.74 -1.4 87 94 70 95 507 95.2 5.239 -0.016 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1044 myo-Inositol 21.7246 2080.9 10.8 scans 43% 306 m/z (73) 0.012% 7.36% 1486 0.9 841 1974022 73078130 73024032 1-0 6: 306 320 432 367 267 295 0.900 21.77 -3.5 92 91 88 98 612 34.1 0.165 -0.042 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1042 myo-Inositol 21.7298 2081.3 10.7 scans 85% 305 m/z (306) 0.013% 14.7% 1487 0.1 1189 1842968 146121532 145889037 1-0 10: 305 318 319 307 265 308 266 293 419 420 0.994 21.77 -3.8 95 96 96 96 318 297.5 6.277 -0.044 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1040 myo-Inositol 21.7603 2083.9 10.0 scans 53% 73 m/z (318) 0.011% 8.54% 1490 0.2 954 2101837 84753915 84556308 1-0 20: 73 217 147 191 265 204 129 133 74 103 148 75 192 219 221 131 149 293 193 143 0.916 21.78 -1.7 83 91 90 89 378 0.0 0.000 -0.021 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.9129 2096.7 >4 scans 77% TIC 0.79% 0.0449% 1504 1.1 124 30320 13.4% 446126 446126 132979407 0-0 0.972 21.93 -1.4 93 92 91 94 656 0.0 0.000 -0.017 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1959 2121.3 2.5 scans 88% 396 m/z 0.19% 0.169% 1531 1.0 256 125167 1677197 1557608 1-4 20: 396 219 73 397 381 398 220 191 307 382 249 293 75 399 74 308 383 221 233 115 0.956 22.19 0.8 99 98 95 99 396 112.6 19.389 0.010 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6589 2161.7 3.0 scans 92% TIC 0.16% 0.163% 1575 1.5 227 143057 0.333% 1623787 1543756 3304638 2-0 0.996 22.71 -4.8 92 88 93 99 518 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN WTF2-N1036 C18:0 23.3965 2227.4 2.8 scans 68% 341 m/z 1.8% 0.0270% 1645 1.3 92 12886 0.0381% 268318 239917 378098 1-3 13: 341 117 342 132 129 145 356 57 55 343 118 201 297 0.858 22.89 45.6 85 91 89 95 356 11.8 1.649 0.508 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1172 2293.3 2.8 scans 42% 204 m/z (387) 2.9% 0.00631% 1714 1.6 46 8102 0.00855% 62674 62674 84849 0-0 2: 204 337 0.857 24.01 9.8 82 85 75 87 490 0.0 0.000 0.107 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1024 Glycerolgalactose 24.5287 2332.1 >5 scans 34% TIC 4.7% 0.00220% 1753 2.9 37 5032 0.249% 21841 21841 2471035 0-0 0.825 24.18 33.0 80 87 70 84 581 0.0 0.000 0.347 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6497 2343.6 3.3 scans 89% 73 m/z 0.21% 0.252% 1764 1.0 282 112568 0.326% 2503230 2477768 3235171 0-1 20: 73 147 331 217 191 262 421 307 205 319 103 332 305 422 259 376 333 192 74 308 0.967 24.65 -0.0 96 94 95 99 466 17.8 0.399 -0.000 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7412 2352.3 2.7 scans 90% 73 m/z 0.25% 0.202% 1773 1.1 269 95857 2014338 1776821 1-3 20: 73 204 217 147 292 375 305 103 205 219 218 451 129 376 191 233 293 74 75 363 0.993 24.81 -6.1 97 96 97 97 451 31.8 1.394 -0.064 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3574 2510.8 2.9 scans 91% TIC 0.062% 0.562% 1927 1.2 401 384058 1.84% 5587084 4822061 18259859 3-1 1.000 26.35 0.8 98 97 98 98 495 78.2 3.821 0.007 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5320 2528.8 2.7 scans 9.9% 512 m/z 1.4% 0.0234% 1943 1.1 91 16700 232734 226568 1-1 15: 512 455 513 456 483 514 457 349 484 179 264 383 424 515 458 0.737 26.57 -4.3 90 91 54 92 512 41.1 20.497 -0.041 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN WTF2-N1032 Sucrose 26.6509 2541.1 3.3 scans 19% TIC 8.0% 0.00177% 1954 1.4 37 3007 17628 17628 0-0 0.634 26.87 -22.6 80 87 63 86 451 4.6 1.511 -0.219 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1018 Sucrose 27.4075 2619.9 13.3 scans 79% 437 m/z (333) 0.0080% 12.8% 2026 2.2 1067 2990651 13.6% 127129845 124424129 134964174 1-0 15: 437 438 451 439 452 453 204 440 247 366 289 467 463 294 481 0.990 27.47 -6.6 98 99 98 99 437 238.1 5.022 -0.063 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1020 Sucrose 27.4075 2619.9 13.3 scans 11% 437 m/z (217 333) 0.043% 1.76% 2026 2.2 397 550579 1.88% 17551115 17177573 18656812 1-0 15: 437 438 451 439 452 453 204 440 247 366 289 467 463 294 481 0.329 27.46 -5.7 92 96 90 99 437 236.1 35.623 -0.054 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1014 Sucrose 27.4180 2621.0 13.4 scans 89% 361 m/z 0.0075% 14.7% 2027 2.0 1140 3181639 15.8% 146076661 143246026 156796614 1-0 11: 361 362 363 319 364 320 259 255 144 348 260 0.998 27.49 -7.7 100 100 99 100 437 237.9 4.389 -0.072 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1010 Sucrose 27.4254 2621.8 13.4 scans 92% TIC 0.0074% 15.9% 2028 1.3 1167 3213408 17.2% 157993436 155024397 170689985 1-0 0.998 27.58 -16.4 100 99 97 99 437 235.5 4.106 -0.154 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1016 Sucrose 27.4317 2622.5 13.3 scans 40% 217 m/z (361) 0.024% 6.99% 2029 1.1 773 989121 7.67% 69424187 68020303 76115825 1-0 14: 217 218 331 272 189 229 257 231 148 221 233 345 159 151 0.958 27.48 -4.8 85 86 88 93 437 15.1 0.000 -0.045 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1008 Sucrose 27.4948 2629.2 12.7 scans 100% 73 m/z 0.0090% 14.7% 2035 0.2 1168 2672259 146201123 144747928 1-0 16: 73 74 75 59 69 55 81 54 70 116 89 109 53 67 83 58 0.999 27.59 -10.3 100 99 97 99 437 201.5 2.993 -0.096 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN LQC1-N1006 Trehalose 28.3913 2726.2 6.8 scans 15% 361 m/z (204) 4.2% 0.00692% 2120 0.3 33 5700 0.0185% 68718 62260 183591 0-1 2: 361 362 0.668 28.47 -8.7 81 87 46 86 565 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN GUA35_L1-N1020 Galactinol 30.4767 2964.2 3.1 scans 85% TIC 0.51% 0.0720% 2318 0.9 152 47108 0.130% 715435 682618 1290099 3-2 0.949 30.55 -8.2 96 95 94 98 641 15.4 1.032 -0.068 G:\GCMS data\Nicotiana Panel polar\N479_REP3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6647 3105.3 3.2 scans 49% 204 m/z 7.0% 0.00438% 2431 1.1 34 3415 0.00521% 43494 32475 51703 2-12 2: 204 597 0.942 31.68 -1.3 82 84 72 83 597 7.4 4.806 -0.010 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN EXBLK5S-N1006 Contamination 6.6195 1063.0 2.6 scans 65% 207 m/z 0.98% 0.0261% 51 1.4 100 25550 0.0829% 245529 187150 777807 7-6 14: 207 73 295 208 209 191 296 297 279 193 189 210 177 192 0.970 6.63 -0.3 99 98 94 98 295 30.8 9.522 -0.006 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8257 1075.2 >8 scans 34% 117 m/z 5.6% 0.0109% 70 0.4 45 4442 0.0205% 102868 94401 192341 0-5 4: 117 191 147 190 0.905 6.82 0.3 86 83 90 97 295 2.4 0.000 0.005 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1194 Alanine 7.4223 1110.6 9.0 scans 78% 116 m/z 0.45% 0.118% 127 0.5 134 54971 0.179% 1113614 1113614 1679463 0-0 7: 116 73 147 190 117 118 100 0.959 7.40 1.1 98 98 94 98 283 4.0 0.088 0.018 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9273 1140.5 3.3 scans 58% 156 m/z 3.8% 0.00736% 175 1.2 53 6503 0.0128% 69083 64809 120096 1-0 4: 156 55 157 54 0.909 7.96 -1.7 97 98 92 98 156 29.4 30.634 -0.030 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1192 Contamination 8.0073 1145.2 3.0 scans 64% 147 m/z 4.2% 0.00803% 183 1.2 61 5848 0.0194% 75346 75346 182020 0-0 12: 147 73 133 220 235 148 59 146 167 72 86 100 0.968 7.99 1.0 93 94 88 94 235 11.7 3.676 0.018 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1188 Contamination 8.3830 1167.5 4.4 scans 88% 281 m/z 0.90% 0.0549% 218 1.7 123 27875 0.0635% 515196 482771 595787 2-7 19: 281 147 73 369 282 283 249 265 371 207 284 191 148 267 193 149 250 205 353 0.991 8.41 -1.9 99 98 84 100 369 35.5 8.288 -0.032 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1186 Phosphate 8.5618 1178.1 2.6 scans 88% 241 m/z 0.44% 0.0450% 235 1.3 142 56268 422222 418531 0-1 19: 241 242 211 133 243 163 256 135 195 98 89 59 164 121 137 212 257 134 181 0.986 8.56 0.1 98 97 96 100 299 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1184 Valine 9.1784 1214.5 3.6 scans 84% 144 m/z 0.69% 0.0392% 294 0.7 112 35910 0.0480% 368560 332116 450359 5-14 14: 144 73 218 145 147 219 100 74 220 128 133 132 160 114 0.991 9.19 -0.5 99 98 96 98 218 33.0 8.710 -0.010 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1180 Benzoic acid 9.7455 1247.7 3.1 scans 72% 179 m/z 4.0% 0.00915% 348 1.0 57 6253 85858 81378 1-4 6: 179 105 135 77 180 194 0.927 9.76 -0.8 87 84 82 96 194 8.3 2.131 -0.013 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1178 Ethanolamine 10.0033 1262.7 4.3 scans 87% TIC 0.70% 0.0479% 372 1.1 115 35663 8.12% 449479 406816 76185708 4-0 0.990 10.03 -1.8 99 98 97 98 262 13.0 1.280 -0.031 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN VEN77_S6-N1002 Glycerol 10.1538 1271.6 6.3 scans 98% 299 m/z 0.0048% 8.89% 387 0.2 1328 5136454 83470085 81873995 1-1 20: 299 300 314 73 133 283 315 207 211 193 191 147 135 225 74 115 75 131 208 181 0.999 10.09 3.6 99 98 95 99 299 827.6 39.065 0.060 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2611 1277.8 2.5 scans 88% TIC 0.59% 0.0336% 397 0.8 129 42285 8.22% 315345 315345 77123956 0-0 0.991 10.24 1.2 98 97 97 99 381 13.6 1.107 0.021 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1176 Isoleucine 10.4547 1289.2 3.1 scans 23% 158 m/z 1.3% 0.0115% 415 1.0 63 19244 0.0279% 108166 93560 261771 5-0 5: 158 159 218 232 160 0.983 10.46 -0.2 85 85 62 86 260 6.1 0.930 -0.004 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN TAB_REP6-N1012 Proline 10.5505 1294.8 3.6 scans 95% 142 m/z 0.0082% 2.59% 424 0.4 910 3029915 2.84% 24372765 22463552 26646233 4-0 20: 142 73 143 216 147 144 75 74 72 59 141 217 66 133 244 148 100 218 131 101 1.000 10.53 1.0 99 97 98 100 216 171.7 3.577 0.017 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN TAB_REP6-N1014 Maleic acid 10.6104 1298.3 3.1 scans 92% 147 m/z 0.069% 0.309% 430 0.9 361 363681 2.74% 2905436 2905436 25707985 0-0 20: 147 73 245 148 75 149 83 133 115 74 246 143 84 170 126 58 59 215 66 247 1.000 10.60 0.5 99 97 98 99 245 86.1 5.692 0.008 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1170 Glycine 10.6631 1301.4 >4 scans 72% TIC 0.62% 0.0210% 435 1.0 122 40386 3.73% 197798 197798 34996637 0-0 0.997 10.69 -1.4 93 92 88 93 276 19.9 2.688 -0.024 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7620 1307.3 3.5 scans 95% 147 m/z 0.016% 1.75% 444 0.7 739 1521730 16427187 15909834 1-1 20: 147 73 251 76 148 149 58 132 252 74 177 133 176 150 146 118 253 59 62 222 0.978 10.76 0.2 99 98 98 99 251 179.2 5.901 0.004 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1168 Glyceric acid 11.0240 1323.1 2.7 scans 97% 73 m/z 0.13% 0.283% 469 1.0 349 186159 2659408 2609096 4-0 20: 73 147 189 292 133 103 205 293 117 190 102 148 75 307 74 294 59 149 191 131 0.998 11.05 -1.8 100 99 99 100 292 104.1 8.892 -0.030 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0892 1327.0 >4 scans 51% TIC 11% 0.00227% 475 0.8 37 2128 0.173% 21379 21379 1623168 0-0 0.960 11.06 1.5 83 81 77 92 285 12.2 10.719 0.026 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN TAB_REP6-N1018 Uracil 11.1439 1330.3 2.8 scans 57% 241 m/z 6.7% 0.00508% 481 1.3 46 3727 0.00542% 47728 44264 50853 1-1 6: 241 256 255 99 242 113 0.919 11.15 -0.3 94 95 82 99 256 16.1 12.499 -0.004 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1164 Itaconic acid 11.2260 1335.3 2.9 scans 75% 147 m/z 1.1% 0.0232% 489 0.9 97 21495 0.0238% 218562 210772 223303 2-1 13: 147 73 259 148 215 149 97 230 74 141 133 67 83 0.939 11.25 -1.6 93 93 93 96 259 18.7 3.729 -0.026 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1162 Fumaric acid 11.3691 1343.9 2.6 scans 96% 245 m/z 0.081% 0.292% 502 1.0 370 309671 2745789 2589126 2-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 74 84 155 53 59 61 58 157 1.000 11.39 -1.4 99 98 98 99 245 203.2 30.175 -0.024 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4606 1349.4 3.1 scans 75% 57 m/z 1.1% 0.0230% 511 1.2 94 21811 0.0524% 216247 211974 491642 1-0 16: 57 97 145 115 127 55 56 69 111 129 109 128 83 98 87 71 0.978 11.45 0.9 92 89 91 96 145 28.0 8.926 0.015 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1160 Serine 11.5196 1353.0 2.8 scans 97% 204 m/z 0.075% 0.479% 516 0.9 446 332013 4496137 4489981 1-0 20: 204 73 218 205 147 100 219 188 206 278 133 75 74 220 306 116 59 189 279 132 0.997 11.56 -2.2 100 99 99 99 306 45.6 1.047 -0.037 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN BRA4_R~2-N1008 Thymine 11.5985 1357.7 3.2 scans 54% 255 m/z 6.7% 0.00359% 524 1.1 37 3737 33752 33752 1-0 4: 255 156 270 256 0.946 11.58 0.9 93 92 86 95 270 10.3 7.791 0.014 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN TAB_REP6-N1024 Threonine 11.9257 1377.4 2.5 scans 97% 73 m/z 0.093% 0.395% 555 0.9 438 269712 3710010 3576864 1-1 20: 73 218 219 117 291 292 147 101 220 57 75 100 74 203 293 128 133 320 129 221 1.000 11.92 0.3 100 98 99 100 320 40.9 0.872 0.005 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN N406_R~1-N1016 b-Alanine 12.6096 1419.4 2.8 scans 51% 248 m/z 10% 0.00441% 620 1.1 44 2495 41404 40498 0-1 5: 248 174 129 249 290 0.872 12.60 0.4 91 92 83 98 304 0.0 0.000 0.008 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1150 Citrulline 13.0326 1446.1 3.0 scans 79% TIC 2.1% 0.0241% 660 0.8 97 11687 0.0338% 226159 224418 317128 3-0 0.979 13.08 -2.7 82 77 84 92 258 9.8 1.007 -0.043 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1148 Glutamine?? 13.3335 1465.0 3.0 scans 96% 155 m/z 0.076% 0.350% 689 0.5 358 327384 0.355% 3292580 3202223 3330779 1-0 20: 155 73 147 156 229 139 75 59 100 74 157 148 84 103 133 230 131 72 149 257 0.996 13.35 -0.9 99 97 99 99 257 28.6 0.642 -0.013 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1146 Malic acid 13.5892 1481.1 4.5 scans 99% 73 m/z 0.012% 4.96% 713 0.3 1149 2065841 46594422 46586329 1-0 20: 73 147 133 189 190 148 75 191 234 74 149 101 55 171 59 131 117 72 235 247 0.999 13.62 -1.7 100 100 100 100 350 31.7 0.077 -0.028 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7902 1493.8 3.7 scans 95% 243 m/z 0.11% 0.566% 732 0.5 429 211377 0.621% 5318067 4930757 5826518 2-1 20: 243 115 100 73 128 116 244 59 158 201 72 245 101 70 75 131 147 142 129 74 0.999 13.81 -1.0 100 99 99 100 243 167.9 15.319 -0.016 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0406 1510.1 2.2 scans 42% 232 m/z (73) 0.058% 0.272% 756 1.0 374 430833 0.279% 2560964 2450758 2617711 1-0 18: 232 233 218 100 234 202 188 306 219 117 216 334 292 204 101 130 220 349 0.947 14.02 1.6 92 92 87 97 258 8.1 0.000 0.024 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1140 Aspartic acid 14.0438 1510.3 >3 scans 76% 73 m/z 0.055% 0.685% 756 1.5 506 452024 1.30% 6431614 6170577 12197219 1-0 20: 73 147 75 117 74 133 149 148 142 59 172 131 70 115 102 350 103 245 61 98 0.999 14.09 -2.8 99 98 98 99 349 27.0 0.285 -0.043 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0816 1512.8 3.6 scans 92% 156 m/z 0.021% 1.22% 760 0.4 633 1185749 1.23% 11535197 11344384 11540446 1-1 15: 156 147 157 258 230 158 259 59 148 231 58 155 72 140 121 0.989 14.11 -1.9 100 99 99 99 273 27.7 0.191 -0.028 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN TAB_REP6-N1032 GABA 14.2079 1521.1 2.5 scans 92% 174 m/z (314) 0.032% 0.823% 772 0.7 617 766062 0.844% 7723483 7576374 7918810 0-1 20: 174 304 73 147 175 305 176 75 86 306 216 143 246 59 100 172 133 148 130 74 0.997 14.19 1.3 98 99 99 99 304 196.3 10.138 0.020 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1134 GABA 14.2079 1521.1 2.5 scans 93% 174 m/z 0.032% 0.816% 772 0.7 619 764516 0.837% 7659329 7513443 7853133 0-1 20: 174 304 73 147 175 305 176 75 86 306 216 143 246 59 100 172 133 148 130 74 0.973 14.24 -2.3 99 98 97 99 304 196.7 10.123 -0.034 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6488 1550.4 3.0 scans 97% 292 m/z (166) 0.015% 3.45% 814 0.4 1148 1647934 32423848 30452700 1-1 20: 292 73 147 220 205 293 217 117 294 221 103 148 319 291 133 74 206 245 102 149 1.000 14.69 -2.8 99 100 100 100 409 94.4 0.678 -0.043 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1126 Pyrazine 15.0844 1579.3 2.6 scans 94% 73 m/z 0.16% 0.294% 855 1.0 371 154338 2767816 2694987 1-1 20: 73 227 344 301 147 345 154 228 302 139 211 126 346 59 329 229 303 74 128 133 0.999 15.13 -3.1 99 98 98 100 344 115.3 9.670 -0.048 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3832 1599.1 2.6 scans 45% 217 m/z (146) 2.8% 0.00603% 884 1.1 54 8744 0.0137% 56581 54995 128540 2-0 3: 217 218 129 0.921 15.44 -3.9 87 89 80 91 393 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1120 Glutamic acid 15.5116 1608.0 2.7 scans 84% 246 m/z 0.46% 0.0568% 896 1.0 163 53561 533495 502650 1-1 19: 246 73 247 128 147 348 248 75 156 230 363 84 100 56 129 218 149 133 349 0.973 15.56 -3.3 99 99 96 99 363 16.7 1.046 -0.048 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1118 Phenylalanine 15.6094 1614.8 2.8 scans 27% 218 m/z 1.3% 0.0177% 905 1.1 86 19153 166619 156850 1-1 6: 218 192 219 266 100 65 0.412 15.66 -3.4 84 92 52 90 294 8.6 1.000 -0.050 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN TAB_REP6-N1042 Ribose 16.1040 1649.1 2.7 scans 60% 103 m/z 2.3% 0.0144% 952 1.1 81 10560 0.0798% 135242 120369 748722 2-0 10: 103 217 307 308 189 309 104 277 218 89 0.964 16.10 0.1 95 95 89 96 307 25.1 9.662 0.001 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1112 Asparagine?? 16.2092 1656.4 2.7 scans 84% 73 m/z 0.56% 0.0660% 962 1.0 185 44246 0.191% 619573 616770 1792053 0-1 20: 73 116 231 132 188 75 147 232 141 218 100 74 202 131 333 233 159 133 117 215 0.983 16.26 -3.6 97 96 98 97 348 15.8 0.736 -0.053 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1108 Ribose 16.3197 1664.1 2.9 scans 84% TIC 0.58% 0.0796% 973 0.5 165 42846 0.250% 747046 729233 2345619 1-0 0.978 16.38 -3.8 95 94 95 97 467 4.8 0.084 -0.055 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6153 1684.6 2.9 scans 83% TIC 0.84% 0.0467% 1001 1.6 151 29749 0.128% 438333 438333 1200957 0-0 0.993 16.68 -4.2 100 99 98 99 497 4.6 0.094 -0.061 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1104 Rhamnose 16.8763 1702.9 2.8 scans 69% 117 m/z 1.2% 0.0210% 1025 1.3 101 20482 0.0853% 197581 180605 800325 1-0 14: 117 73 160 277 118 147 161 219 321 119 131 133 204 89 0.983 16.93 -4.0 80 79 86 84 392 6.5 0.413 -0.056 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9278 1706.6 2.6 scans 70% 217 m/z (269) 1.2% 0.0376% 1030 1.3 130 20289 0.103% 353538 353538 966395 0-0 15: 217 103 205 307 319 129 308 218 246 206 320 203 309 221 317 0.982 16.99 -4.5 94 95 93 96 422 5.2 0.159 -0.061 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9994 1711.9 2.8 scans 88% TIC 0.56% 0.0776% 1037 1.1 183 44197 0.164% 728812 687989 1538726 0-1 0.995 17.06 -4.6 94 93 95 93 510 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1094 cis-Aconitic acid 17.3056 1734.2 2.7 scans 49% 73 m/z 4.5% 0.00460% 1066 1.2 52 5490 43176 42028 0-1 6: 73 375 229 147 285 211 0.915 17.36 -4.1 87 89 84 88 436 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3866 1740.1 3.1 scans 81% TIC 0.54% 0.0774% 1074 1.3 178 46310 726686 668641 1-1 0.956 17.44 -4.2 98 98 96 99 511 12.7 0.513 -0.056 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN WTF2-N1010 Glycerol-P 17.4845 1747.3 2.4 scans 43% 357 m/z 2.1% 0.0178% 1083 1.3 93 11925 0.0192% 167171 167171 180144 0-0 20: 357 299 358 300 445 315 359 370 387 211 446 256 295 285 373 328 447 241 316 225 0.923 16.97 37.8 81 85 55 87 445 18.5 3.952 0.516 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5739 1753.8 2.7 scans 91% TIC 0.096% 0.277% 1092 0.8 348 261323 1.21% 2604313 2505447 11352796 0-1 0.977 17.63 -4.2 95 94 93 96 450 56.5 2.633 -0.058 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1088 Glutamine?? 17.6591 1760.0 2.8 scans 88% TIC 0.15% 0.287% 1100 1.0 363 164347 1.21% 2698051 2698051 11352796 0-0 0.979 17.73 -4.9 93 90 92 97 511 12.2 0.113 -0.067 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7054 1763.4 3.2 scans 83% 73 m/z (292) 0.32% 0.179% 1104 1.4 257 77128 0.809% 1688779 1688779 7590423 0-0 20: 73 334 204 256 129 147 335 257 217 255 336 205 75 167 166 133 285 183 149 211 0.995 17.70 0.5 97 97 96 99 375 30.9 1.444 0.006 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1086 Fructofuranose 18.0684 1789.9 >3 scans 80% TIC 0.41% 0.0853% 1139 1.3 182 60843 0.824% 800844 783391 7731161 1-0 0.990 18.13 -4.7 95 94 94 94 437 50.7 7.741 -0.066 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1084 Shikimic acid 18.1326 1794.6 2.5 scans 44% 204 m/z 0.38% 0.0451% 1145 0.7 134 66005 0.0693% 424039 351996 650206 3-4 20: 204 205 206 357 255 254 372 462 359 358 267 283 373 447 282 167 195 256 463 239 0.953 18.20 -4.6 97 97 94 98 462 14.9 1.229 -0.064 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1082 Citric acid 18.2568 1803.8 3.1 scans 88% TIC 0.11% 0.502% 1157 1.5 422 224146 0.859% 4719356 4505527 8059547 1-1 0.943 18.32 -4.9 99 98 98 99 465 63.6 2.276 -0.064 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5893 1829.2 4.0 scans 63% 217 m/z 1.9% 0.0200% 1188 1.0 90 12933 0.0247% 188134 188134 231747 0-0 14: 217 73 191 204 319 147 318 218 192 103 320 74 189 205 0.919 18.67 -6.1 83 84 81 85 319 19.8 4.808 -0.080 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1076 Pregnane?? 18.7913 1844.6 2.9 scans 98% 345 m/z 0.023% 1.63% 1207 0.7 806 1080531 15310019 15310019 0-0 20: 345 73 346 255 147 347 334 204 256 191 419 435 372 133 257 74 148 348 239 75 1.000 18.86 -5.1 100 100 100 100 537 62.4 0.603 -0.067 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1074 Adenine 18.8807 1851.4 2.9 scans 50% 264 m/z 0.81% 0.0213% 1216 1.4 93 30944 0.118% 200724 184346 1107132 1-0 12: 264 279 265 266 280 192 84 165 415 85 124 99 0.961 18.94 -4.5 94 94 91 96 415 8.3 0.787 -0.058 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1072 Fructose 18.9859 1859.4 4.2 scans 97% 73 m/z 0.015% 4.58% 1226 0.5 1174 1625139 43011088 42014830 1-1 20: 73 307 217 103 147 308 277 218 309 133 364 205 189 74 117 104 219 89 148 75 1.000 19.03 -3.6 100 98 99 100 364 136.6 1.359 -0.047 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN TAB_REP6-N1052 Fructose 19.1101 1868.9 3.5 scans 97% 73 m/z 0.017% 3.62% 1238 0.5 1116 1462583 34028295 33325971 2-2 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 262 117 89 219 189 104 148 0.999 19.10 0.5 100 99 100 100 364 132.6 1.418 0.006 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1068 Galactopyranose 19.2290 1878.0 3.6 scans 70% 73 m/z (319) 0.32% 0.110% 1249 0.7 210 77568 13.0% 1039110 1039110 121972193 0-0 20: 73 147 205 217 206 129 218 117 74 133 291 189 203 75 219 231 148 190 131 72 0.989 19.32 -6.5 94 94 92 97 435 15.3 0.535 -0.086 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN TAB_REP6-N1054 Galactose 19.2290 1878.0 3.6 scans 59% 73 m/z (204) 0.42% 0.0925% 1249 0.7 192 58665 10.9% 868615 868615 102268992 0-0 20: 73 147 205 217 206 129 218 117 74 133 291 189 203 75 219 231 148 190 131 72 0.985 19.22 1.0 90 89 91 97 376 6.4 0.113 0.013 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1064 Mannose 19.3205 1884.9 3.7 scans 98% 319 m/z 0.012% 5.03% 1258 0.5 1295 1988487 47245289 47127811 1-0 20: 319 73 205 147 160 320 217 103 321 206 117 229 133 129 157 74 148 189 161 204 0.992 19.45 -10.3 100 99 99 100 319 514.9 15.856 -0.134 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1062 Glucose 19.5446 1902.1 3.0 scans 93% TIC 0.044% 1.14% 1279 0.6 659 558337 1.20% 10724065 10013633 11258972 1-2 0.994 19.66 -9.0 99 98 98 99 319 245.3 13.889 -0.111 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1060 Lysine 19.6131 1907.6 2.8 scans 82% TIC 0.79% 0.0633% 1286 1.0 169 31738 1.09% 594661 574228 10226899 0-1 0.980 19.69 -6.5 87 82 67 96 479 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN TAB_REP6-N1061 Lysine 19.6131 1907.6 2.7 scans 79% 174 m/z 0.82% 0.0632% 1286 1.1 166 30300 0.579% 593854 569008 5432454 0-1 19: 174 317 73 156 230 128 318 175 100 86 434 200 319 115 88 176 130 228 59 0.975 19.61 0.0 88 83 82 98 434 18.8 1.269 0.000 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7130 1915.7 2.8 scans 79% 319 m/z 1.0% 0.0418% 1295 1.1 144 24600 0.134% 393106 367390 1257252 1-0 18: 319 73 205 217 147 320 103 307 321 117 206 421 218 74 331 189 291 157 0.964 19.79 -6.2 88 87 84 89 434 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN N406_R~2-N1016 Galacturonic acid 19.7709 1920.3 2.7 scans 14% 333 m/z 6.3% 0.00275% 1301 1.3 33 3954 0.00489% 25822 21921 45880 5-2 4: 333 160 334 335 0.949 19.79 -1.8 86 88 80 89 423 5.1 2.378 -0.022 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2907 1962.1 2.7 scans 21% 204 m/z 0.13% 0.142% 1350 1.2 252 186462 1336100 1297036 1-1 13: 204 191 206 192 193 203 345 271 233 347 194 230 242 0.295 20.41 -9.9 81 95 57 92 217 131.8 0.000 -0.123 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN GLAU_R~4-N1011 UNKp_Ntb Sugar 20.3min 1963 20.3001 1962.9 3.1 scans 88% TIC 0.061% 0.802% 1351 0.9 567 409911 7525392 7303799 1-1 0.911 20.30 0.2 99 99 97 99 433 64.7 1.305 0.002 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1050 Gluconic acid 20.4664 1976.2 2.7 scans 72% 73 m/z (214) 0.23% 0.170% 1367 1.1 275 107235 0.262% 1601921 1601921 2458209 0-0 20: 73 333 147 292 319 205 217 204 334 305 103 293 320 189 74 423 335 433 359 117 0.959 20.65 -14.7 93 96 90 95 613 5.9 0.000 -0.182 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1054 Gluconic acid 3 20.4664 1976.2 2.7 scans 87% 73 m/z 0.21% 0.192% 1367 1.1 303 114260 0.295% 1803732 1803732 2767831 0-0 20: 73 333 147 292 319 205 217 204 334 305 103 293 320 189 74 423 335 433 359 117 0.997 20.55 -6.7 97 95 96 98 613 9.1 0.091 -0.083 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1052 Gluconic acid 2 20.5148 1980.1 3.4 scans 76% 73 m/z 0.88% 0.0538% 1371 1.1 158 28460 0.248% 505174 505174 2326854 0-0 20: 73 292 147 319 205 333 217 293 305 103 294 334 435 359 277 320 148 433 307 321 0.981 20.60 -6.6 92 92 92 92 613 5.2 0.108 -0.082 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1048 Galactaric acid 21.0872 2027.3 3.7 scans 36% 333 m/z 6.4% 0.00434% 1425 1.2 39 3908 0.00550% 40749 40749 51604 0-0 5: 333 296 334 292 335 0.902 21.15 -5.4 80 82 52 81 627 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN WTF2-N1038 C16:0 21.1429 2032.0 2.9 scans 81% TIC 1.7% 0.0281% 1431 0.9 109 14734 0.0325% 264160 246065 304930 0-1 0.964 20.62 43.7 89 94 92 96 328 12.1 1.233 0.526 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.7122 2079.8 10.0 scans 96% 367 m/z 0.012% 15.8% 1485 1.0 1430 1975510 148398225 145192937 1-1 12: 367 433 321 435 394 277 208 201 396 522 169 171 0.997 21.75 -3.1 100 99 99 99 507 108.9 0.582 -0.037 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1042 myo-Inositol 21.7238 2080.8 9.8 scans 53% 305 m/z (306) 0.012% 7.23% 1486 0.4 1080 2036146 8.93% 67867213 66602654 83785514 1-0 11: 305 318 319 204 265 320 308 215 206 370 153 0.972 21.77 -4.3 82 85 64 85 318 308.0 8.165 -0.050 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1044 myo-Inositol 21.7290 2081.3 9.9 scans 37% 306 m/z (73) 0.014% 6.35% 1487 0.5 902 1760425 59589737 58378804 1-1 13: 306 432 367 293 267 369 395 309 189 322 268 420 371 0.934 21.77 -3.1 94 94 93 98 612 38.0 0.178 -0.038 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1040 myo-Inositol 21.7490 2082.9 9.2 scans 58% 73 m/z (306) 0.011% 9.17% 1489 0.2 1148 2096326 86053483 85551284 1-0 20: 73 217 147 318 191 265 204 218 129 133 74 103 148 192 75 291 219 221 149 266 0.931 21.78 -2.7 88 92 94 92 378 0.0 0.000 -0.032 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8711 2093.2 >3 scans 77% 319 m/z 0.60% 0.0715% 1500 1.1 169 41607 2.81% 671074 669647 26364759 2-0 14: 319 205 320 321 103 262 117 206 376 207 229 157 104 322 0.905 21.93 -4.9 93 94 93 96 656 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1962 2121.3 2.6 scans 94% 396 m/z 0.12% 0.287% 1531 0.9 369 196277 2696323 2574831 1-3 20: 396 219 73 397 381 398 220 191 307 382 249 293 75 74 399 383 221 308 147 233 0.999 22.19 0.8 98 96 94 98 396 161.8 19.250 0.010 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6602 2161.9 3.0 scans 93% TIC 0.16% 0.188% 1575 1.4 274 153532 0.381% 1765225 1692590 3574723 1-0 0.998 22.71 -4.6 92 87 92 99 518 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN WTF2-N1036 C18:0 23.3957 2227.3 2.9 scans 75% 341 m/z 2.2% 0.0253% 1645 1.5 99 11264 0.0365% 238100 208423 342460 1-4 16: 341 117 342 132 75 145 129 356 57 55 343 201 131 118 97 313 0.920 22.89 45.5 88 95 90 95 356 13.3 1.801 0.507 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1024 Glycerolgalactose 24.5279 2332.0 3.2 scans 30% TIC 5.8% 0.00135% 1753 0.9 39 4285 0.286% 12749 12749 2683388 0-0 0.778 24.18 32.9 80 86 68 84 581 0.0 0.000 0.346 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6520 2343.8 3.3 scans 94% 73 m/z 0.13% 0.490% 1764 0.9 424 191810 0.605% 4605765 4541778 5676398 0-1 20: 73 331 147 217 191 421 307 262 205 103 319 305 332 422 333 259 376 117 192 308 0.997 24.65 0.2 96 93 96 100 466 26.2 0.382 0.002 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7415 2352.3 2.8 scans 88% 73 m/z 0.36% 0.152% 1773 1.1 252 68502 0.657% 1429997 1206710 6164287 2-3 20: 73 217 147 375 292 103 305 205 219 218 451 129 293 376 206 74 191 233 75 133 0.978 24.81 -6.1 96 95 96 95 451 27.9 1.228 -0.064 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3534 2510.4 2.9 scans 89% TIC 0.16% 0.223% 1926 1.7 286 152833 1.27% 2093120 1840307 11915745 3-0 0.998 26.35 0.4 98 97 97 97 495 55.1 3.708 0.003 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN WTF2-N1032 Sucrose 26.6491 2540.9 3.3 scans 43% TIC 6.2% 0.00565% 1954 1.7 58 3993 53039 53039 0-0 0.890 26.87 -22.8 81 82 74 85 451 5.7 0.975 -0.221 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN WTF2-N1028 C16:0-glycerol 26.8995 2566.8 2.9 scans 33% 371 m/z (204) 2.5% 0.0107% 1978 1.1 63 9805 100874 87015 3-6 7: 371 372 459 373 239 71 313 0.883 26.39 52.2 80 92 64 92 459 11.7 3.425 0.506 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1020 Sucrose 27.4067 2619.8 10.5 scans 15% 437 m/z (361) 0.048% 2.04% 2026 1.6 535 519814 2.25% 19205276 18766409 21110572 1-0 16: 437 451 438 439 452 453 440 259 435 463 375 234 60 295 395 482 0.848 27.46 -5.8 92 93 61 99 437 263.3 24.247 -0.054 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1014 Sucrose 27.4130 2620.5 10.5 scans 86% 361 m/z 0.0079% 12.0% 2027 1.3 1292 3167695 13.3% 113061858 110738253 124786936 1-0 20: 361 362 363 319 364 359 320 71 365 171 241 293 450 199 201 260 441 335 178 394 0.996 27.49 -8.2 100 99 99 100 437 271.3 4.450 -0.077 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1010 Sucrose 27.4182 2621.1 10.2 scans 99% 217 m/z 0.0078% 15.3% 2027 1.3 1388 3208687 143992392 142118918 1-0 14: 217 272 331 291 257 321 345 347 222 183 232 141 175 158 0.995 27.58 -17.1 100 99 98 99 437 266.9 3.722 -0.161 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1016 Sucrose 27.4182 2621.1 10.2 scans 50% 217 m/z (361) 0.017% 7.90% 2027 1.3 991 1463553 74203862 73238402 1-0 14: 217 272 331 291 257 321 345 347 222 183 232 141 175 158 0.935 27.48 -6.2 88 90 94 94 437 16.4 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1008 Sucrose 27.4635 2625.9 9.8 scans 100% 73 m/z 0.0082% 13.7% 2032 0.2 1374 3056587 129261978 127665727 1-0 20: 73 217 147 103 129 169 74 218 75 191 133 117 189 148 149 229 257 245 157 104 0.997 27.59 -13.6 100 99 97 99 437 257.8 3.544 -0.128 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1018 Sucrose 27.4729 2626.9 >2 scans 67% 361 m/z 0.0085% 1.62% 2033 1.4 1022 2931997 8.95% 15224386 14337475 83973164 0-1 20: 361 362 437 363 451 438 319 439 364 452 331 320 453 305 345 440 450 332 365 291 1.000 27.47 0.4 97 96 83 96 437 257.8 6.438 0.003 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN LQC1-N1006 Trehalose 28.3789 2724.8 3.9 scans 27% 361 m/z (209) 7.3% 0.00508% 2119 0.6 37 3403 0.0180% 47720 44050 168885 0-1 2: 361 362 0.897 28.47 -10.1 84 88 69 88 565 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel polar\N479_REP4.FIN GUA35_L1-N1020 Galactinol 30.1540 2925.9 3.0 scans 93% 204 m/z 0.17% 0.186% 2287 0.9 266 140666 0.232% 1751688 1582749 2176735 0-4 20: 204 73 217 205 191 147 361 206 305 129 218 433 103 230 343 641 192 319 74 306 1.000 30.55 -46.5 89 93 95 98 641 21.4 0.652 -0.391 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN EXBLK5S-N1006 Contamination 6.3784 1048.7 4.0 scans 50% 207 m/z 2.2% 0.0237% 28 1.2 59 10690 182129 128170 13-3 7: 207 295 208 209 296 191 297 0.971 6.63 -14.6 95 95 87 96 295 18.8 10.360 -0.247 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1194 Alanine 7.4338 1111.2 13.0 scans 64% TIC 1.5% 0.0531% 128 1.8 76 15922 0.111% 407492 407492 850488 0-0 0.912 7.40 1.7 93 92 90 94 283 0.0 0.000 0.030 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN A-KETO~2-N1006 Contamination?? 7.9819 1143.7 3.0 scans 64% 156 m/z 3.2% 0.0105% 180 1.3 54 7304 80482 70850 2-1 5: 156 55 157 54 61 0.937 7.96 1.5 97 97 92 98 156 29.3 29.389 0.025 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1192 Contamination 8.0630 1148.5 3.0 scans 58% 73 m/z 4.4% 0.00709% 188 1.0 51 5403 0.0164% 54392 53047 125658 0-3 8: 73 147 235 133 152 220 146 59 0.931 7.99 4.3 93 94 85 94 235 10.5 4.354 0.074 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1188 Contamination 8.3849 1167.6 4.8 scans 86% 281 m/z 1.2% 0.0556% 218 2.2 95 19048 0.0604% 426062 373332 462788 4-10 17: 281 73 369 147 282 370 283 265 249 371 148 191 251 267 149 250 266 0.992 8.41 -1.8 99 98 83 100 369 27.0 8.043 -0.030 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1186 Phosphate 8.6017 1180.5 2.6 scans 69% 241 m/z 1.3% 0.0151% 239 1.1 72 17585 116295 112783 1-1 10: 241 242 211 243 163 133 135 256 195 107 0.943 8.56 2.5 98 97 89 98 299 0.0 0.000 0.041 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1184 Valine 9.2109 1216.4 5.1 scans 80% 144 m/z 1.0% 0.0398% 297 0.4 84 23425 0.0434% 305173 284104 332533 2-3 10: 144 73 218 145 147 219 146 128 132 100 0.979 9.19 1.4 98 98 93 98 218 24.9 8.716 0.023 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1180 Benzoic acid 9.7728 1249.3 3.5 scans 61% 179 m/z 6.2% 0.00767% 351 0.7 40 3865 58768 52843 4-2 5: 179 105 135 77 180 0.828 9.76 0.8 89 88 84 97 194 6.1 2.348 0.014 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1178 Ethanolamine 10.0085 1263.0 5.5 scans 79% TIC 1.5% 0.0274% 373 1.2 71 15316 9.04% 210198 208937 69264984 2-0 0.980 10.03 -1.5 96 95 92 96 262 7.7 1.164 -0.026 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN VEN77_S6-N1002 Glycerol 10.1747 1272.8 7.3 scans 100% 211 m/z 0.0048% 11.3% 389 0.2 1227 4954162 86581712 85418411 1-0 14: 211 181 222 166 164 214 67 237 108 240 125 311 155 359 0.997 10.09 4.8 99 98 95 99 299 763.8 38.982 0.081 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2694 1278.3 2.6 scans 69% 73 m/z 1.9% 0.0125% 398 1.0 62 12091 1.39% 96333 88809 10650258 1-1 9: 73 198 211 77 199 70 239 74 212 0.940 10.24 1.7 93 93 87 93 381 7.0 1.292 0.029 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1176 Isoleucine 10.4630 1289.6 3.3 scans 31% 158 m/z 1.3% 0.0148% 416 0.8 59 17843 0.0230% 113544 96360 176227 5-0 6: 158 218 159 232 160 219 0.989 10.46 0.2 87 87 65 87 260 5.6 0.917 0.004 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1012 Proline 10.5556 1295.1 2.9 scans 96% 142 m/z 0.022% 1.02% 425 0.5 512 1052138 1.19% 7889553 7446457 9117846 5-0 20: 142 73 143 216 147 144 72 75 59 74 66 217 133 100 148 244 218 70 68 101 0.997 10.53 1.3 100 98 98 100 216 93.3 3.342 0.023 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6240 1299.1 3.1 scans 90% 147 m/z 0.13% 0.195% 431 1.0 243 177043 2.16% 1497382 1497276 16550041 0-1 20: 147 73 245 148 75 149 83 133 74 246 143 170 84 126 59 66 58 54 247 53 0.995 10.60 1.3 99 98 98 99 245 55.3 5.174 0.022 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1170 Glycine 10.6798 1302.4 >2 scans 31% TIC 3.2% 0.00195% 437 1.2 47 7487 1.09% 14963 14963 8351641 0-0 0.913 10.69 -0.4 88 89 79 90 276 8.5 3.204 -0.007 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7776 1308.3 3.0 scans 96% TIC 0.015% 1.95% 446 0.7 713 1561033 14974243 14214815 1-1 0.992 10.76 1.2 99 97 96 99 251 166.5 5.482 0.020 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1168 Glyceric acid 11.0344 1323.7 2.6 scans 93% 73 m/z 0.27% 0.148% 470 1.1 220 87251 0.150% 1135029 1065693 1149308 1-1 20: 73 147 292 189 133 103 293 205 102 190 117 148 74 75 307 294 59 149 191 134 0.997 11.05 -1.2 100 98 98 99 292 63.9 8.407 -0.020 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.1080 1328.2 3.1 scans 56% 184 m/z 8.6% 0.00599% 477 1.0 40 2770 0.00867% 45951 45619 66430 1-0 4: 184 285 134 174 0.962 11.06 2.7 95 96 85 96 285 13.3 10.763 0.045 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1018 Uracil 11.1575 1331.2 2.4 scans 51% 241 m/z 7.5% 0.00366% 482 0.9 37 3187 28083 28083 0-0 5: 241 99 256 255 242 0.916 11.15 0.6 95 96 90 98 256 12.6 11.767 0.009 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1164 Itaconic acid 11.2364 1335.9 3.2 scans 65% 147 m/z 2.6% 0.0133% 490 0.8 60 8990 0.0140% 102567 89936 107269 2-1 9: 147 73 166 268 215 259 148 97 149 0.935 11.25 -1.0 81 77 81 93 259 11.0 3.328 -0.016 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1162 Fumaric acid 11.3763 1344.3 2.6 scans 93% 245 m/z 0.19% 0.162% 503 1.0 232 123494 1243671 1198003 2-1 20: 245 73 147 246 75 143 247 240 83 148 133 115 149 84 53 74 155 241 61 59 0.985 11.39 -1.0 95 94 95 96 245 120.6 26.988 -0.017 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4710 1350.0 >3 scans 82% TIC 1.4% 0.0210% 512 0.8 83 17069 0.448% 161310 161310 3432601 0-0 0.989 11.45 1.5 94 92 96 99 145 22.8 7.614 0.025 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1160 Serine 11.5247 1353.3 2.6 scans 95% 204 m/z 0.13% 0.312% 517 0.9 323 180352 2396276 2315766 1-1 20: 204 73 218 205 147 100 219 278 206 133 75 74 59 306 220 116 189 117 132 101 0.992 11.56 -1.9 99 98 98 99 306 32.2 0.994 -0.032 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN BRA4_R~2-N1008 Thymine 11.6068 1358.2 3.2 scans 31% 255 m/z 14% 0.00115% 524 0.8 17 1653 8846 8846 0-0 2: 255 270 0.979 11.58 1.4 89 95 75 94 270 7.2 17.153 0.023 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1024 Threonine 11.9298 1377.7 2.6 scans 96% 73 m/z 0.17% 0.248% 555 1.0 287 137040 1902411 1815299 1-1 20: 73 218 219 117 291 147 101 292 220 57 75 100 74 293 128 203 133 221 132 59 0.998 11.92 0.6 100 99 99 100 320 25.1 0.764 0.009 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1148 Glutamine?? 13.3082 1463.4 2.8 scans 85% TIC 0.69% 0.0464% 686 0.9 116 34467 0.0563% 356261 330111 431374 3-2 0.974 13.35 -2.5 90 87 92 97 257 8.7 0.564 -0.039 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1146 Malic acid 13.5754 1480.3 3.1 scans 98% 73 m/z 0.014% 3.46% 712 0.4 963 1704219 26532920 25399506 1-1 20: 73 147 233 245 133 189 190 335 148 75 191 175 149 234 74 101 265 217 55 307 1.000 13.62 -2.5 100 99 99 100 350 24.5 0.065 -0.042 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.7701 1492.5 2.9 scans 96% 115 m/z 0.26% 0.236% 730 0.7 263 90090 1810410 1774995 2-1 20: 115 100 243 73 128 116 244 59 72 101 201 158 245 75 70 131 142 117 74 147 0.998 13.81 -2.3 100 99 99 99 243 97.0 13.605 -0.036 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0310 1509.4 2.4 scans 32% 232 m/z 0.17% 0.106% 755 1.3 191 135882 819435 805391 0-1 18: 232 233 218 100 234 202 188 306 216 219 130 334 292 204 235 349 220 203 0.917 14.02 0.9 93 93 82 97 258 6.5 0.000 0.014 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0678 1511.9 4.4 scans 93% TIC 0.034% 1.07% 759 0.4 476 697626 8229297 7669128 1-1 0.996 14.11 -2.8 99 97 97 99 273 20.0 0.177 -0.042 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1134 GABA 14.2004 1520.7 2.5 scans 92% 174 m/z (314) 0.054% 0.605% 771 0.9 445 438669 0.638% 4636181 4352961 4888392 0-1 20: 174 73 304 147 175 305 75 176 86 59 143 306 246 216 100 133 172 148 74 130 1.000 14.24 -2.7 97 97 98 98 304 134.4 9.140 -0.042 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1032 GABA 14.2004 1520.7 2.6 scans 93% TIC 0.054% 0.627% 771 0.9 448 437196 0.750% 4809028 4359828 5746542 0-2 0.999 14.19 0.9 100 99 98 99 304 134.6 9.051 0.012 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3646 1531.5 2.5 scans 93% TIC 0.34% 0.117% 787 0.6 189 69607 901922 852900 2-1 0.994 14.62 -17.1 99 98 97 98 409 13.9 0.540 -0.256 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6287 1549.0 2.3 scans 98% 73 m/z 0.028% 1.39% 812 0.6 715 853420 10697810 10472400 0-1 20: 73 292 147 220 205 293 217 117 103 294 221 148 133 319 74 291 149 75 102 206 1.000 14.69 -4.2 100 99 98 99 409 54.6 0.585 -0.063 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1126 Pyrazine 15.0748 1578.6 2.8 scans 78% TIC 0.90% 0.0495% 854 1.0 127 26571 379788 376698 0-1 0.885 15.13 -3.8 99 98 96 98 344 36.6 8.374 -0.057 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3799 1598.9 3.8 scans 51% TIC 3.5% 0.00771% 883 2.5 50 6826 0.129% 59114 59114 988405 0-0 0.826 15.44 -4.1 84 86 80 85 393 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1120 Glutamic acid 15.5073 1607.7 2.5 scans 67% 246 m/z 1.8% 0.0152% 895 1.1 71 12666 116499 116141 0-1 9: 246 247 128 348 248 230 156 363 84 0.958 15.56 -3.6 96 96 89 95 363 8.0 1.264 -0.053 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1042 Ribose 16.1028 1649.0 3.1 scans 75% TIC 2.1% 0.0153% 952 0.8 77 11153 0.241% 117529 117529 1846555 0-0 0.979 16.10 0.0 97 96 93 97 307 22.2 8.227 -0.000 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1112 Asparagine?? 16.2017 1655.9 2.6 scans 56% 116 m/z 2.9% 0.0143% 961 1.2 67 8103 0.0216% 110114 110114 165500 0-0 8: 116 231 132 188 218 204 232 141 0.917 16.26 -4.1 89 90 87 91 348 5.7 0.723 -0.060 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.2270 1657.6 2.9 scans 55% 290 m/z (116) 3.3% 0.00988% 964 1.9 48 7245 0.0101% 75749 67382 77387 1-2 4: 290 291 158 392 0.918 16.28 -3.5 86 87 69 92 392 7.1 2.198 -0.049 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1108 Ribose 16.3174 1663.9 2.7 scans 79% TIC 0.97% 0.0366% 972 1.1 114 24706 0.139% 281106 281106 1065026 0-0 0.985 16.38 -4.0 92 91 90 95 467 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6121 1684.4 2.7 scans 78% TIC 1.2% 0.0288% 1000 1.5 107 18739 0.112% 221030 221030 858150 0-0 0.987 16.68 -4.4 98 98 95 98 497 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1104 Rhamnose 16.8741 1702.7 2.8 scans 69% 117 m/z 1.5% 0.0217% 1025 1.1 82 15166 0.0439% 167001 158573 336364 2-0 8: 117 160 277 118 161 321 219 119 0.964 16.93 -4.2 83 83 85 86 392 4.0 0.236 -0.058 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9246 1706.4 2.7 scans 67% 217 m/z 1.8% 0.0246% 1030 1.1 94 13175 0.0712% 188485 186570 545538 0-1 12: 217 103 307 205 319 218 204 129 189 320 206 309 0.951 16.99 -4.7 92 91 88 93 422 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9982 1711.8 2.8 scans 86% TIC 0.82% 0.0566% 1037 1.1 134 28891 0.124% 434258 415044 950095 0-1 0.993 17.06 -4.7 95 94 94 94 510 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1098 UNKp_Cas 17.1min 1723 17.0961 1718.9 2.7 scans 29% 392 m/z 11% 0.00426% 1046 1.1 36 2008 32669 32669 1-0 6: 392 89 302 393 163 276 0.655 17.16 -4.5 82 83 62 89 436 3.0 0.694 -0.062 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3823 1739.8 2.7 scans 65% 333 m/z 1.0% 0.0411% 1074 1.2 113 23766 315598 315598 0-0 11: 333 292 103 307 217 334 335 277 308 129 218 0.965 17.44 -4.5 97 97 95 97 511 7.0 0.378 -0.061 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN WTF2-N1010 Glycerol-P 17.4812 1747.0 2.4 scans 57% 357 m/z (171) 2.8% 0.0211% 1083 1.1 86 8317 0.0242% 161974 156326 185422 1-3 17: 357 299 358 370 445 315 300 211 387 331 359 301 285 225 446 256 373 0.970 16.97 37.5 84 90 79 91 445 15.0 3.060 0.513 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5716 1753.6 2.8 scans 90% 217 m/z (345) 0.13% 0.284% 1092 0.8 280 180193 0.334% 2176147 2024736 2559127 3-1 19: 217 73 147 218 450 219 305 74 451 191 133 232 257 452 169 129 148 149 203 0.987 17.63 -4.4 93 93 93 97 450 43.2 2.380 -0.060 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7011 1763.1 2.9 scans 85% TIC 0.33% 0.139% 1104 0.9 221 70917 0.680% 1065039 1065039 5210198 0-0 0.988 17.70 0.2 99 98 98 99 375 26.0 1.376 0.002 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1251 1794.0 2.6 scans 55% 204 m/z (73) 1.0% 0.0273% 1144 0.9 87 23375 209934 194762 2-1 11: 204 205 206 357 255 254 372 331 462 373 167 0.969 18.13 0.0 88 90 82 91 372 10.7 1.524 0.000 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1084 Shikimic acid 18.1251 1794.0 2.6 scans 40% 204 m/z 1.0% 0.0193% 1144 0.9 74 23358 147908 137219 2-1 11: 204 205 206 357 255 254 372 331 462 373 167 0.979 18.20 -5.2 94 93 88 95 462 7.7 1.086 -0.072 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1082 Citric acid 18.2493 1803.2 2.7 scans 73% 273 m/z 0.41% 0.119% 1156 1.0 198 57716 917263 854529 1-5 16: 273 363 347 375 274 465 275 211 364 348 376 149 221 305 183 466 0.984 18.32 -5.5 97 97 93 98 465 30.3 2.346 -0.072 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1076 Pregnane?? 18.7806 1843.8 2.8 scans 96% 345 m/z 0.068% 0.671% 1206 1.0 449 351339 5144797 5032244 1-1 20: 345 73 346 255 147 347 204 191 334 256 419 74 435 372 133 257 148 348 239 75 0.999 18.86 -5.9 100 99 99 100 537 33.2 0.547 -0.077 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1074 Adenine 18.8774 1851.1 3.0 scans 35% 264 m/z 1.9% 0.0106% 1216 1.3 54 12173 0.0955% 81669 81669 731726 0-0 7: 264 279 265 266 192 280 84 0.965 18.94 -4.8 94 93 85 96 415 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1072 Fructose 18.9806 1859.0 3.7 scans 97% TIC 0.015% 4.88% 1225 0.4 1072 1590677 37440382 36040894 2-1 1.000 19.03 -4.0 100 99 99 100 364 122.9 1.322 -0.052 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1052 Fructose 19.1005 1868.2 3.1 scans 97% 73 m/z 0.016% 3.55% 1237 0.6 1002 1410491 27261920 26949737 2-0 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 262 117 89 219 189 104 148 1.000 19.10 -0.2 100 99 100 100 364 115.2 1.325 -0.004 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1054 Galactose 19.2089 1876.4 3.4 scans 73% TIC 0.85% 0.0469% 1247 1.2 131 28126 3.07% 359475 359475 23522511 0-0 0.985 19.22 -0.6 96 95 94 98 376 4.3 0.107 -0.007 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1064 Mannose 19.3067 1883.9 3.2 scans 96% TIC 0.018% 3.85% 1256 0.5 1007 1301077 29548754 28843931 1-1 0.990 19.45 -11.3 100 98 99 100 319 391.4 15.139 -0.148 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1059 Glucose 19.5340 1901.3 3.1 scans 93% TIC 0.071% 0.757% 1278 0.7 451 336877 0.799% 5802136 5367059 6121983 1-3 0.992 19.55 -1.4 100 99 99 99 376 17.1 0.144 -0.018 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1061 Lysine 19.6066 1907.1 2.7 scans 66% 174 m/z 1.9% 0.0272% 1285 1.0 94 12226 0.234% 208940 202356 1792921 0-1 18: 174 317 156 128 318 230 100 175 86 434 200 319 88 115 59 228 130 114 0.952 19.61 -0.5 89 87 84 98 434 10.6 1.260 -0.006 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7066 1915.2 2.9 scans 78% 73 m/z 1.2% 0.0360% 1294 1.3 111 19950 0.127% 275866 275866 973081 0-0 19: 73 319 205 147 320 217 103 307 321 117 206 308 157 74 277 189 218 345 148 0.946 19.79 -6.7 91 91 88 92 434 0.0 0.000 -0.084 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN N406_R~2-N1016 Galacturonic acid 19.7676 1920.1 3.3 scans 11% 333 m/z 13% 0.00149% 1300 1.5 20 1834 0.00285% 11436 11436 21837 0-0 2: 333 160 0.831 19.79 -2.0 82 84 76 84 423 0.0 0.000 -0.025 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2947 1962.4 2.7 scans 95% 73 m/z 0.096% 0.506% 1350 1.0 402 247870 3882046 3882045 1-0 20: 73 217 147 394 103 307 395 333 205 218 396 433 74 277 148 308 189 221 305 117 0.987 20.30 -0.1 100 98 99 100 433 45.2 1.270 -0.001 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1054 Gluconic acid 3 20.4599 1975.7 2.7 scans 89% 73 m/z 0.44% 0.0939% 1366 1.2 186 54487 0.134% 719604 719604 1026715 0-0 20: 73 147 319 205 204 214 217 103 334 305 320 142 189 74 117 359 307 433 215 148 0.993 20.55 -7.2 88 85 90 90 613 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1052 Gluconic acid 2 20.5094 1979.7 2.9 scans 62% 292 m/z 2.8% 0.0201% 1371 1.1 73 8410 0.0798% 154386 107764 611432 0-7 8: 292 319 333 205 433 293 305 294 0.959 20.60 -7.0 88 88 85 88 613 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN WTF2-N1038 C16:0 21.1365 2031.5 2.9 scans 78% 313 m/z 3.1% 0.0254% 1430 1.5 77 7534 194893 153884 4-17 12: 313 117 314 75 132 145 129 55 57 328 360 131 0.952 20.62 43.2 81 85 84 94 328 8.6 1.248 0.520 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN INOSIT~1-N1022 myo-Inositol 21.7047 2079.2 8.5 scans 8.2% 432 m/z (73) 0.10% 1.43% 1484 0.2 390 237477 10984235 10981611 1-0 7: 432 434 435 134 395 396 98 0.478 21.74 -3.1 83 95 60 93 507 102.7 6.919 -0.036 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.7047 2079.2 8.5 scans 100% 432 m/z 0.011% 17.3% 1484 0.2 1373 2024255 132590149 132558472 1-0 7: 432 434 435 134 395 396 98 0.999 21.75 -3.7 100 99 99 99 507 99.1 0.523 -0.044 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1042 myo-Inositol 21.7289 2081.3 8.1 scans 87% 192 m/z (306) 0.011% 15.4% 1487 0.2 1307 2135403 118011396 117019759 1-0 10: 192 308 394 395 370 346 246 198 211 226 0.994 21.77 -3.8 94 96 95 96 318 303.6 5.412 -0.045 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1044 myo-Inositol 21.7289 2081.3 8.1 scans 42% 192 m/z (73) 0.011% 7.55% 1487 0.2 915 2110722 57909851 57423241 1-0 10: 192 308 394 395 370 346 246 198 211 226 0.966 21.77 -3.1 93 93 91 98 612 36.2 0.157 -0.038 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.9057 2096.1 3.2 scans 87% 319 m/z 0.64% 0.0849% 1503 1.1 154 36893 8.76% 650883 633728 67119609 0-1 20: 319 73 205 147 320 321 103 217 262 206 229 204 322 117 74 148 89 129 133 263 0.990 21.93 -2.0 95 93 94 96 656 0.0 0.000 -0.024 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1919 2120.9 2.6 scans 93% 396 m/z 0.14% 0.320% 1531 0.9 321 161868 2456236 2392179 1-3 20: 396 219 73 397 381 398 220 191 307 382 249 293 75 74 399 147 308 221 383 233 0.987 22.19 0.4 98 97 95 99 396 138.1 18.546 0.006 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6569 2161.6 2.9 scans 93% 204 m/z 0.14% 0.263% 1575 1.4 274 168084 0.453% 2015383 1882152 3470911 2-0 20: 204 73 205 147 217 249 206 117 191 131 75 74 103 218 129 133 362 250 189 219 0.999 22.71 -4.9 92 87 92 99 518 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6498 2343.6 3.1 scans 95% 73 m/z 0.097% 0.659% 1764 1.0 434 244857 0.840% 5050611 5050611 6436127 0-0 20: 73 147 191 331 217 421 307 205 262 103 319 332 305 259 74 422 333 308 218 376 0.997 24.65 0.0 96 92 96 100 466 25.1 0.336 -0.000 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7392 2352.1 2.9 scans 90% 73 m/z 0.34% 0.191% 1773 1.1 231 69917 0.790% 1469770 1251026 6053024 1-3 20: 73 204 217 147 292 375 103 305 205 219 218 451 129 74 293 133 376 363 233 206 0.991 24.81 -6.3 96 95 96 96 451 25.1 1.181 -0.066 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3544 2510.5 2.7 scans 91% 204 m/z 0.081% 0.532% 1926 1.6 382 295132 1.71% 4080410 3589610 13102115 3-0 20: 204 73 147 205 495 217 206 496 117 129 363 273 74 143 259 497 75 130 148 103 0.998 26.35 0.5 98 97 99 97 495 69.8 3.338 0.004 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5301 2528.6 2.8 scans 7.4% 512 m/z 1.9% 0.0254% 1943 1.1 88 12232 194936 192167 0-1 13: 512 455 456 514 349 457 484 497 264 383 515 498 424 0.637 26.57 -4.5 89 90 52 92 512 38.0 18.488 -0.043 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1010 Sucrose 27.4044 2619.6 9.5 scans 100% 437 m/z 0.0074% 16.3% 2026 1.6 1305 3208844 125044009 124301816 1-0 18: 437 438 439 453 440 345 333 222 348 234 349 260 316 323 249 565 179 421 0.986 27.58 -18.6 100 99 97 99 437 255.0 3.844 -0.175 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1020 Sucrose 27.4044 2619.6 9.5 scans 10% 437 m/z (361) 0.043% 1.66% 2026 1.6 410 552099 12735603 12660012 1-0 18: 437 438 439 453 440 345 333 222 348 234 349 260 316 323 249 565 179 421 0.880 27.46 -6.0 93 96 92 98 437 255.0 38.772 -0.057 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1018 Sucrose 27.4129 2620.5 9.5 scans 45% 361 m/z (73) 0.0074% 7.21% 2027 1.1 888 3208844 8.14% 55301418 54103885 62369134 1-0 13: 361 362 363 364 320 71 321 347 441 468 366 275 377 0.931 27.47 -6.0 83 85 56 85 437 255.0 8.308 -0.057 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1014 Sucrose 27.4171 2620.9 >8 scans 92% 271 m/z 0.0074% 14.5% 2027 1.0 1267 3208844 16.7% 111532520 109307576 127956332 1-0 20: 271 169 319 331 272 230 257 291 259 258 139 207 246 177 199 173 289 294 248 377 0.996 27.49 -7.8 100 99 99 100 437 255.0 4.083 -0.073 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN LQC1-N1008 Sucrose 27.4349 2622.8 >8 scans 96% 147 m/z 0.0078% 14.8% 2029 0.5 1283 3062998 17.2% 113708927 110674086 131787360 1-0 15: 147 103 117 148 231 220 203 104 448 150 114 163 201 541 433 0.996 27.59 -16.7 100 99 98 99 437 239.2 3.500 -0.156 G:\GCMS data\Nicotiana Panel polar\N479_REP6.FIN GUA35_L1-N1020 Galactinol 30.1517 2925.6 2.7 scans 93% 204 m/z 0.11% 0.312% 2287 1.0 308 208138 0.385% 2394107 2165876 2949891 0-4 20: 204 73 217 205 147 191 206 361 305 129 103 218 433 148 192 362 343 319 306 74 0.998 30.55 -46.8 88 92 94 99 641 22.5 0.537 -0.393 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN EXBLK5S-N1006 Contamination 6.5845 1060.9 2.8 scans 52% 207 m/z 1.3% 0.0645% 47 2.6 86 15516 0.117% 188419 149930 341657 10-5 11: 207 295 208 209 296 191 297 189 279 177 193 0.921 6.63 -2.4 97 97 89 97 295 27.6 10.229 -0.041 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.7581 1071.2 >5 scans 40% 73 m/z 4.9% 0.0235% 64 0.9 54 4288 0.123% 68746 60197 359178 0-3 4: 73 147 117 190 0.937 6.82 -3.7 91 89 84 98 295 2.8 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1194 Alanine 7.3863 1108.4 6.9 scans 81% TIC 0.92% 0.129% 124 0.4 96 22788 0.361% 379173 355441 1054174 2-0 0.991 7.40 -1.1 96 95 94 96 283 0.0 0.000 -0.018 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN A-KETO~2-N1006 Contamination?? 7.8787 1137.6 2.6 scans 76% 156 m/z 1.9% 0.0336% 170 1.3 75 10774 0.0462% 98338 87480 134911 2-2 8: 156 75 157 54 61 74 158 76 0.971 7.96 -4.6 98 98 93 98 156 41.8 31.380 -0.078 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1192 Contamination 7.9629 1142.6 2.7 scans 67% 147 m/z 5.9% 0.0146% 178 1.0 54 3565 0.0377% 42641 41828 110090 2-0 9: 147 73 152 133 220 148 235 59 72 1.000 7.99 -1.6 91 91 87 91 235 9.2 2.946 -0.026 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1188 Contamination 8.3711 1166.8 4.1 scans 75% 281 m/z 2.9% 0.0421% 217 1.1 65 7067 0.0457% 122948 101591 133451 8-7 9: 281 369 282 283 147 370 265 371 249 0.979 8.41 -2.6 98 97 83 98 369 19.6 9.012 -0.044 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1190 Contamination 8.4563 1171.9 2.9 scans 69% 73 m/z 3.7% 0.0178% 225 1.3 56 5698 0.0538% 52195 51517 157104 2-0 9: 73 140 211 198 77 69 70 186 126 0.981 8.48 -1.6 92 92 86 92 309 5.0 0.798 -0.028 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1186 Phosphate 8.5258 1176.0 2.4 scans 71% 241 m/z 0.64% 0.0685% 232 1.1 114 32791 200064 196767 1-1 20: 241 242 211 133 163 256 243 135 195 164 98 59 225 181 119 257 165 121 134 115 0.844 8.56 -2.0 98 98 89 98 299 0.0 0.000 -0.035 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1184 Valine 9.1529 1213.0 3.2 scans 84% TIC 1.3% 0.0474% 291 1.0 79 15448 0.101% 138473 121802 294935 6-6 0.990 9.19 -2.0 98 98 95 98 218 24.4 9.521 -0.035 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1180 Benzoic acid 9.7242 1246.4 3.2 scans 81% TIC 1.2% 0.0711% 346 1.3 98 17187 0.0834% 207805 183498 243540 1-1 0.924 9.76 -2.1 98 97 93 99 194 14.0 2.046 -0.035 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1178 Ethanolamine 9.9915 1262.1 3.5 scans 82% 174 m/z 1.2% 0.0569% 371 0.9 85 17031 0.899% 166370 145768 2625214 8-0 11: 174 73 175 100 176 86 133 262 130 59 131 0.978 10.03 -2.4 98 98 94 97 262 10.2 1.447 -0.043 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN VEN77_S6-N1002 Glycerol 10.0820 1267.3 2.9 scans 97% 299 m/z 0.0099% 5.76% 380 0.6 935 2119594 16835625 16365970 1-1 20: 299 300 314 73 301 133 283 315 211 207 193 191 147 316 302 135 225 74 284 115 0.990 10.09 -0.7 100 99 96 99 299 585.7 39.518 -0.012 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2314 1276.1 2.5 scans 89% 73 m/z 0.76% 0.0706% 394 1.0 114 27498 206405 195011 1-2 18: 73 198 77 211 199 70 74 239 381 212 289 72 200 143 63 92 142 170 0.987 10.24 -0.5 98 97 95 97 381 13.4 1.380 -0.009 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1176 Isoleucine 10.4208 1287.2 2.9 scans 84% 158 m/z 1.0% 0.0682% 412 1.2 106 19898 0.0807% 199178 194659 235656 0-1 16: 158 73 218 159 117 219 232 100 205 133 74 129 59 131 220 217 0.994 10.46 -2.2 91 87 88 97 260 6.8 0.407 -0.038 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1012 Proline 10.5060 1292.2 2.7 scans 93% 142 m/z 0.10% 0.377% 420 1.1 260 197306 3.63% 1103195 1100742 10600139 1-0 20: 142 73 143 147 216 144 72 59 75 74 66 217 100 141 148 244 218 101 133 131 0.997 10.53 -1.6 99 98 98 100 216 47.9 3.408 -0.027 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5870 1296.9 2.7 scans 94% 147 m/z (102) 0.10% 0.514% 428 1.0 291 194910 3.98% 1503130 1489813 11622191 1-0 20: 147 73 245 148 75 149 83 133 246 74 143 115 170 84 126 59 215 58 247 157 0.999 10.60 -0.9 96 97 98 98 245 68.0 5.469 -0.015 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7427 1306.2 3.2 scans 94% 147 m/z 0.018% 3.81% 443 0.6 713 1157303 11145767 9960112 2-2 20: 147 73 251 148 76 149 58 132 74 252 133 177 176 150 75 118 59 175 62 131 0.996 10.76 -0.9 99 97 96 99 251 176.1 6.114 -0.015 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1168 Glyceric acid 11.0079 1322.1 2.5 scans 94% 73 m/z 0.43% 0.223% 468 1.1 197 48805 651851 610113 1-5 20: 73 147 292 189 133 293 103 205 307 102 117 190 148 75 74 59 294 101 149 217 0.999 11.05 -2.8 100 99 98 99 292 60.3 9.362 -0.046 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0700 1325.9 2.5 scans 70% 184 m/z 5.4% 0.0182% 474 0.9 58 3857 0.0330% 53327 52559 96365 0-1 10: 184 134 285 174 77 86 185 286 59 100 0.971 11.06 0.4 96 96 88 97 285 18.3 9.977 0.007 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1018 Uracil 11.1289 1329.4 2.8 scans 65% 241 m/z 6.1% 0.0134% 479 1.3 47 3440 39178 38903 0-2 6: 241 255 99 256 242 113 0.905 11.15 -1.2 95 94 90 98 256 15.4 10.833 -0.019 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1164 Itaconic acid 11.2078 1334.2 2.6 scans 80% 147 m/z 2.3% 0.0247% 487 0.8 65 8829 0.0286% 72147 65474 83516 2-1 7: 147 73 259 148 215 97 149 0.987 11.25 -2.7 89 87 87 93 259 13.4 4.311 -0.044 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1162 Fumaric acid 11.3520 1342.9 2.6 scans 95% 245 m/z 0.22% 0.282% 500 1.1 217 93628 826163 795173 2-1 20: 245 147 73 246 75 143 247 83 148 133 149 84 155 115 74 53 59 58 61 54 0.999 11.39 -2.4 100 99 99 99 245 123.1 32.178 -0.041 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4509 1348.8 >3 scans 87% TIC 1.3% 0.0500% 510 0.9 94 15456 1.63% 146117 145086 4759842 1-0 0.996 11.45 0.3 95 92 97 99 145 26.9 8.190 0.005 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1160 Serine 11.5077 1352.2 2.5 scans 97% 204 m/z 0.058% 1.44% 515 1.0 506 359051 4207537 4045712 1-1 20: 204 73 218 205 147 100 219 188 278 206 75 74 133 306 116 220 59 189 148 101 0.999 11.56 -3.0 100 99 99 99 306 54.6 1.166 -0.049 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN BRA4_R~2-N1008 Thymine 11.5866 1357.0 2.5 scans 32% 255 m/z 21% 0.00170% 523 1.4 17 983 4970 4970 0-0 1: 255 0.970 11.58 0.2 83 89 69 92 270 6.4 14.076 0.003 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7245 1365.3 3.1 scans 61% 147 m/z 4.3% 0.0204% 536 0.7 55 4895 0.0227% 59774 54528 66287 0-1 7: 147 247 101 116 148 59 102 0.872 11.79 -3.6 87 88 80 90 262 6.8 1.532 -0.061 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1024 Threonine 11.9128 1376.6 2.5 scans 96% 73 m/z 0.26% 0.374% 554 1.0 258 78374 1092399 1054594 1-1 20: 73 218 219 117 291 292 147 101 220 57 75 100 74 203 293 128 133 221 132 320 0.993 11.92 -0.5 100 99 99 100 320 24.8 0.921 -0.008 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1150 Citrulline 13.0281 1445.8 2.7 scans 54% 128 m/z 9.4% 0.0110% 660 0.9 43 2225 32205 32205 0-0 6: 128 243 115 141 100 169 0.875 13.08 -3.0 83 86 69 84 258 5.1 1.418 -0.048 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2765 1461.4 2.7 scans 21% 247 m/z (155) 3.6% 0.0188% 683 1.2 56 5870 54999 54999 1-0 9: 247 259 248 203 233 349 69 249 321 0.638 13.31 -1.9 85 92 41 88 349 8.9 2.584 -0.030 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1148 Glutamine?? 13.2943 1462.6 2.7 scans 93% 155 m/z 0.24% 0.254% 685 0.9 208 87169 742203 732518 1-1 19: 155 73 147 156 229 139 59 157 100 74 148 131 230 257 84 56 133 103 72 0.985 13.35 -3.3 98 98 98 99 257 16.6 0.638 -0.053 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1146 Malic acid 13.5458 1478.4 2.6 scans 99% 73 m/z 0.024% 3.63% 709 0.7 790 860914 10607518 10598558 1-0 20: 73 147 233 245 133 189 75 148 190 191 175 74 335 55 149 101 234 217 265 59 0.998 13.62 -4.4 100 99 99 99 350 20.8 0.069 -0.071 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1142 Erythritol/Threitol 13.7121 1488.9 2.5 scans 88% 73 m/z (115) 2.1% 0.0567% 725 1.4 89 9769 165852 142055 1-4 14: 73 217 205 103 147 307 189 117 133 218 191 293 219 206 0.993 13.89 -11.2 94 95 93 96 320 7.9 0.772 -0.178 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1144 Contamination Parabanica acid 13.7468 1491.0 3.4 scans 84% TIC 2.0% 0.0554% 728 1.1 99 10134 3.42% 161828 161828 9986908 0-0 0.983 13.81 -3.8 97 96 92 96 243 40.4 16.786 -0.059 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1028 Aspartic acid 14.0214 1508.8 2.4 scans 25% 232 m/z 0.35% 0.128% 754 1.2 152 59893 375955 366413 0-1 20: 232 233 218 100 202 234 188 306 219 216 292 101 235 130 204 220 334 189 203 307 0.723 14.02 0.3 93 94 84 98 258 6.6 0.000 0.004 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1140 Aspartic acid 14.0214 1508.8 2.4 scans 27% 232 m/z (156) 0.35% 0.136% 754 1.2 156 59830 399725 389579 0-1 20: 232 233 218 100 202 234 188 306 219 216 292 101 235 130 204 220 334 189 203 307 0.717 14.09 -4.3 93 98 55 95 349 11.1 0.505 -0.066 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0393 1510.0 3.6 scans 90% TIC 0.070% 1.05% 756 0.7 375 299703 3082503 2941406 1-1 0.987 14.11 -4.7 99 97 96 99 273 15.5 0.172 -0.071 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1032 GABA 14.1950 1520.3 2.6 scans 95% 174 m/z 0.050% 1.57% 771 0.8 514 420642 1.58% 4607685 4596620 4613835 1-0 20: 174 304 73 147 175 305 86 75 176 216 59 143 306 246 100 172 133 148 130 74 0.998 14.19 0.5 100 99 99 99 304 160.5 9.783 0.007 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3602 1531.2 2.7 scans 56% 292 m/z 4.9% 0.0196% 786 1.1 57 4251 57457 57457 1-0 4: 292 205 220 293 0.958 14.69 -22.0 87 87 82 89 409 3.7 0.409 -0.332 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6085 1547.7 2.5 scans 90% 73 m/z 0.84% 0.106% 810 1.2 138 24957 311510 291624 0-1 20: 73 292 147 220 205 293 217 117 103 294 221 148 319 133 74 245 206 75 291 149 0.997 14.62 -0.9 97 96 95 97 409 10.8 0.615 -0.012 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7369 1556.2 2.8 scans 27% 174 m/z (267) 3.0% 0.0195% 822 1.1 56 6892 0.0284% 57188 55298 82932 1-1 7: 174 175 86 176 100 250 59 0.915 14.16 37.9 88 96 86 96 250 10.8 3.704 0.572 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1126 Pyrazine 15.0715 1578.4 2.7 scans 80% TIC 1.6% 0.0658% 854 1.0 109 12955 192390 184580 1-1 0.925 15.13 -4.0 98 97 94 97 344 32.2 8.789 -0.061 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1120 Glutamic acid 15.5040 1607.4 2.4 scans 78% 246 m/z 1.9% 0.0311% 895 1.1 77 10728 90896 90896 0-1 10: 246 128 247 248 348 84 230 156 363 100 0.984 15.56 -3.9 96 96 90 96 363 7.9 1.033 -0.056 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1118 Phenylalanine 15.6029 1614.3 5.2 scans 89% TIC 1.7% 0.0649% 904 1.1 101 11842 0.137% 189530 183567 400060 1-0 0.991 15.66 -3.9 95 93 91 98 294 6.9 0.465 -0.056 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1038 Xylose 15.8922 1634.4 2.6 scans 58% 217 m/z 5.9% 0.0127% 932 1.2 46 3561 0.0190% 37276 37129 55483 2-0 3: 217 103 307 0.871 15.89 0.2 90 92 81 94 307 13.5 8.669 0.002 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1040 Xylose 16.0058 1642.3 2.6 scans 82% 73 m/z 1.2% 0.0698% 943 1.0 112 16334 203895 189961 1-1 20: 73 103 217 307 147 308 189 160 204 117 133 277 309 218 205 104 74 234 105 219 0.973 16.00 0.2 97 97 95 97 307 30.8 7.616 0.002 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1042 Ribose 16.1037 1649.1 2.6 scans 84% 73 m/z 1.4% 0.0601% 952 0.9 100 14288 0.296% 175604 157533 864364 1-2 20: 73 307 103 217 308 147 218 277 160 309 189 104 133 205 74 89 117 105 233 204 0.994 16.10 0.1 95 94 94 97 307 31.1 9.591 0.001 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1108 Ribose 16.3205 1664.1 2.6 scans 92% TIC 0.46% 0.226% 973 0.8 189 45152 0.383% 660331 635589 1118417 2-1 0.995 16.38 -3.8 96 94 95 98 467 4.5 0.057 -0.055 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6151 1684.6 2.6 scans 92% TIC 0.53% 0.217% 1001 1.2 193 39438 0.255% 635581 591407 744638 1-0 0.998 16.68 -4.2 100 99 98 100 497 5.3 0.076 -0.061 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9286 1706.7 3.5 scans 61% TIC 3.9% 0.0213% 1030 1.5 68 5348 0.749% 62420 62420 2187191 0-0 0.913 16.99 -4.4 87 86 84 90 422 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9991 1711.8 2.8 scans 85% 73 m/z 0.88% 0.132% 1037 1.2 148 23873 0.722% 387208 387208 2108347 0-0 20: 73 217 147 319 205 103 307 218 204 129 189 320 308 206 219 277 305 191 148 74 0.978 17.06 -4.7 91 91 91 91 510 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1096 Putrescine 17.1906 1725.8 2.8 scans 68% 174 m/z 0.42% 0.107% 1055 1.2 131 49785 312725 302621 1-1 18: 174 175 214 86 176 172 200 361 100 173 130 146 142 114 362 187 126 99 0.997 17.25 -4.2 98 96 96 99 458 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1044 Putrescine 17.1906 1725.8 2.8 scans 82% 174 m/z (73) 0.42% 0.131% 1055 1.2 143 49689 383022 370647 1-1 18: 174 175 214 86 176 172 200 361 100 173 130 146 142 114 362 187 126 99 0.991 17.19 0.2 96 96 97 99 376 11.0 0.586 0.003 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5694 1753.5 2.7 scans 90% TIC 0.32% 0.214% 1091 1.2 188 64663 0.844% 627214 592752 2464605 0-1 0.996 17.63 -4.5 96 94 94 96 450 30.1 2.550 -0.063 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1088 Glutamine?? 17.6546 1759.7 >3 scans 79% TIC 0.44% 0.277% 1099 1.4 199 47900 1.57% 809698 809698 4584633 0-0 0.987 17.73 -5.2 83 83 82 84 511 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1046 Shikimic acid 18.1292 1794.3 2.6 scans 88% 204 m/z 0.47% 0.148% 1145 0.9 155 44195 0.154% 432513 403057 449703 5-1 15: 204 205 147 357 255 206 254 372 447 462 373 267 256 239 193 0.995 18.13 0.3 94 92 91 95 372 18.2 1.386 0.004 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1082 Citric acid 18.2512 1803.4 2.8 scans 91% TIC 0.25% 0.490% 1156 1.4 284 81674 0.778% 1432402 1381930 2271876 1-2 0.992 18.32 -5.3 98 97 96 99 465 44.1 2.408 -0.070 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1076 Pregnane?? 18.7910 1844.5 2.8 scans 96% 345 m/z 0.022% 4.36% 1207 0.7 829 957613 12742716 12115011 1-1 20: 345 73 346 255 147 347 334 204 256 191 435 419 372 133 257 74 148 348 239 75 0.998 18.86 -5.2 100 100 99 100 537 66.6 0.648 -0.067 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1074 Adenine 18.8815 1851.4 2.8 scans 47% 264 m/z (217) 1.0% 0.0492% 1216 1.4 88 20722 0.109% 143715 135097 318296 1-0 12: 264 279 265 266 280 192 281 84 165 85 111 99 0.873 18.94 -4.5 93 94 87 97 415 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1072 Fructose 18.9562 1857.1 2.6 scans 95% 73 m/z 0.050% 2.27% 1223 0.9 615 421654 4.36% 6644216 5876329 12731848 5-0 20: 73 307 217 103 147 308 218 277 133 309 74 117 364 189 205 104 219 89 75 148 0.999 19.03 -5.9 100 98 99 99 364 67.3 1.200 -0.077 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1052 Fructose 19.0783 1866.5 2.8 scans 92% 73 m/z (303) 0.073% 2.07% 1235 0.6 511 286975 4.52% 6058333 5433155 13199072 0-3 20: 73 307 217 103 147 308 277 218 309 364 74 262 89 219 104 117 133 205 189 148 1.000 19.10 -1.9 97 98 99 99 364 57.8 1.283 -0.026 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1054 Galactose 19.1951 1875.4 2.6 scans 83% TIC 0.85% 0.105% 1246 1.2 146 24737 4.83% 308584 308584 14104318 0-0 0.997 19.22 -1.6 93 90 93 98 376 5.4 0.138 -0.021 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1064 Mannose 19.2898 1882.6 2.7 scans 98% 319 m/z 0.026% 5.01% 1255 0.7 925 812344 14651817 14493490 1-0 20: 319 73 205 147 160 320 217 321 103 206 117 133 229 74 129 157 148 189 204 161 0.999 19.45 -12.6 100 98 99 100 319 357.8 15.019 -0.165 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1059 Glucose 19.5255 1900.6 2.9 scans 91% 73 m/z 0.11% 1.02% 1277 0.8 391 178535 2992244 2971755 2-0 20: 73 319 147 320 160 103 217 321 206 133 74 229 117 204 89 148 129 157 291 75 0.975 19.55 -2.1 99 99 98 99 376 14.2 0.131 -0.027 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1061 Lysine 19.6065 1907.1 2.7 scans 83% TIC 1.7% 0.0654% 1285 1.1 112 11983 191138 191138 0-0 0.992 19.61 -0.5 90 86 85 97 434 12.1 1.164 -0.007 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7096 1915.4 2.9 scans 75% 73 m/z 2.1% 0.0386% 1295 1.3 85 9938 0.108% 112929 105181 315376 1-0 8: 73 244 147 205 117 89 59 148 0.956 19.79 -6.5 88 87 82 90 434 0.0 0.000 -0.081 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN N406_R~2-N1016 Galacturonic acid 19.7559 1919.1 2.5 scans 30% 333 m/z 6.0% 0.00667% 1299 1.1 35 3501 19481 19481 0-1 4: 333 160 334 335 0.988 19.79 -3.0 88 89 81 89 423 5.6 2.573 -0.037 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN BRA4_R~2-N1010 Tyrosine 19.8053 1923.1 2.5 scans 65% 218 m/z 1.7% 0.0384% 1304 1.0 80 11748 0.0422% 112249 96216 123230 4-0 9: 218 219 280 220 354 179 281 382 100 0.947 19.82 -1.0 85 82 76 93 382 8.1 1.010 -0.013 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2904 1962.1 2.7 scans 87% 73 m/z 0.63% 0.170% 1350 1.0 172 33511 498402 467494 1-1 20: 73 217 147 394 103 307 395 205 333 218 191 277 308 433 189 221 148 305 74 359 0.946 20.30 -0.4 96 96 91 97 433 18.9 1.218 -0.006 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6803 2077.2 3.3 scans 98% 305 m/z 0.014% 12.9% 1482 0.5 1338 1430050 37710270 37489334 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 367 133 129 192 291 1.000 21.75 -5.7 100 100 100 100 507 110.7 0.687 -0.069 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8655 2092.7 3.1 scans 97% 319 m/z 0.083% 1.72% 1500 1.0 490 252258 5031903 4881369 1-2 20: 319 73 205 147 320 217 103 321 262 206 117 204 74 229 133 89 157 148 129 291 0.999 21.93 -5.4 95 92 96 99 656 12.5 0.065 -0.064 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1854 2120.4 2.6 scans 92% 396 m/z 0.20% 0.482% 1530 1.0 296 105576 1408027 1358497 1-1 20: 396 219 73 397 381 398 191 220 307 382 249 293 75 74 383 221 308 399 192 233 0.972 22.19 -0.1 99 98 95 99 396 130.7 19.502 -0.001 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6694 2162.7 3.4 scans 70% 204 m/z 5.0% 0.0156% 1576 1.2 44 4168 0.0213% 45568 40438 62199 2-0 4: 204 361 145 205 0.985 22.71 -3.8 88 88 84 88 518 0.0 0.000 -0.045 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN BRA4_R~4-N1012 Spermidine 22.8967 2182.5 4.1 scans 53% TIC 24% 0.00345% 1598 2.0 26 875 0.0364% 10088 10088 106293 0-0 0.913 22.90 -0.3 86 92 75 91 418 4.7 3.222 -0.003 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN WTF2-N1036 C18:0 23.3944 2227.2 2.9 scans 80% 341 m/z 3.6% 0.0368% 1645 1.6 73 5723 0.0439% 107591 96637 128195 1-3 11: 341 117 342 132 75 129 145 55 57 356 201 0.976 22.89 45.4 87 93 86 93 356 9.9 1.852 0.505 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN BRA4_R~2-N1006 Spermidine 23.5091 2237.7 2.5 scans 81% TIC 5.3% 0.0255% 1656 0.6 66 3930 0.110% 74704 72014 321216 1-1 0.986 23.51 -0.0 95 96 95 96 490 5.7 0.762 0.000 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1028 Glycerolgalactose 24.1225 2293.7 2.9 scans 83% 204 m/z 1.8% 0.0425% 1714 0.9 81 11447 0.0629% 124369 111065 183677 1-3 11: 204 205 337 147 217 219 338 103 218 101 249 0.986 24.01 10.2 82 78 86 92 490 0.0 0.000 0.113 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6518 2343.8 3.3 scans 95% 73 m/z 0.27% 0.567% 1764 0.9 279 76459 0.694% 1656460 1621513 2026583 0-1 20: 73 147 331 191 217 262 307 205 421 103 319 305 332 259 204 333 308 422 218 117 1.000 24.65 0.2 98 97 98 99 466 17.5 0.393 0.002 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7454 2352.7 2.6 scans 93% 73 m/z 1.2% 0.109% 1773 1.2 135 16404 0.551% 320436 306881 1609002 1-2 20: 73 217 204 292 147 375 103 305 219 451 218 293 129 205 233 101 306 376 143 333 0.996 24.81 -5.7 94 94 93 94 451 17.3 1.643 -0.060 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3553 2510.6 2.6 scans 73% TIC 5.1% 0.0116% 1926 1.2 46 4142 0.0847% 34120 29704 247337 4-0 0.968 26.35 0.6 80 80 74 80 495 10.2 4.867 0.005 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4479 2520.1 3.3 scans 73% TIC 6.2% 0.0169% 1935 1.0 50 3356 0.0858% 49359 46238 250549 1-0 0.971 26.52 -7.5 81 81 73 81 740 7.1 2.032 -0.073 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5362 2529.3 2.8 scans 93% 512 m/z 2.4% 0.0614% 1944 0.8 99 8720 179382 179382 0-1 18: 512 455 247 513 456 483 514 57 457 349 423 497 484 219 203 74 175 189 0.978 26.57 -3.8 96 96 86 96 512 37.6 14.376 -0.037 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9014 2567.0 3.0 scans 56% 371 m/z (73) 4.5% 0.0175% 1978 1.0 50 4650 51286 47589 1-3 6: 371 372 57 459 203 239 0.972 26.39 52.4 81 91 69 91 459 8.9 3.126 0.507 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1020 Sucrose 27.4085 2620.0 6.1 scans 10% 451 m/z (361) 0.048% 3.07% 2026 0.2 483 439027 8970038 8782080 1-1 20: 451 438 439 453 365 332 454 322 144 290 208 481 349 355 350 367 343 195 309 392 0.502 27.46 -5.6 90 91 83 99 437 266.6 30.496 -0.052 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1014 Sucrose 27.4085 2620.0 6.1 scans 95% 451 m/z 0.0069% 27.2% 2026 0.2 1449 3060005 79655072 77985985 1-1 20: 451 438 439 453 365 332 454 322 144 290 208 481 349 355 350 367 343 195 309 392 0.999 27.49 -8.7 100 100 99 100 437 295.6 4.195 -0.081 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1008 Sucrose 27.4148 2620.7 6.1 scans 92% 437 m/z (451) 0.0065% 27.4% 2027 0.2 1453 3224577 80069493 78504867 1-1 20: 437 363 364 158 150 366 303 248 83 467 114 323 310 375 405 126 264 209 112 224 0.975 27.59 -18.8 89 92 91 90 437 203.6 0.000 -0.176 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1010 Sucrose 27.4232 2621.6 6.0 scans 97% TIC 0.0065% 28.9% 2028 0.2 1513 3224577 84657297 83879498 1-0 0.999 27.58 -16.6 100 99 98 99 437 297.7 3.900 -0.156 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1016 Sucrose 27.4243 2621.7 6.0 scans 52% 361 m/z (437) 0.014% 15.5% 2028 0.2 1111 1483670 45334406 44820393 1-0 20: 361 73 217 147 103 169 218 129 191 74 219 189 205 204 230 229 133 117 148 75 0.834 27.48 -5.6 85 83 92 96 437 17.2 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN TAB_REP6-N1070 Sucrose 27.4306 2622.4 6.0 scans 57% 319 m/z (437) 0.011% 16.4% 2029 0.2 1135 1917727 47992703 47577821 1-0 20: 319 320 257 231 305 291 345 221 259 450 247 317 306 293 246 71 307 222 303 348 0.906 27.41 2.3 90 96 78 95 451 13.8 0.000 0.021 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN LQC1-N1018 Sucrose 27.4306 2622.4 6.0 scans 46% 319 m/z (361) 0.0070% 13.1% 2029 0.2 1015 2979105 38351851 38020312 1-0 20: 319 320 257 231 305 291 345 221 259 450 247 317 306 293 246 71 307 222 303 348 0.901 27.47 -4.1 88 91 58 89 437 235.2 5.413 -0.039 G:\GCMS data\Nicotiana Panel polar\N506_REP1.FIN GUA35_L1-N1020 Galactinol 30.4851 2965.2 3.2 scans 70% 204 m/z 3.4% 0.0328% 2319 0.9 66 6114 0.109% 96007 91328 318296 1-0 14: 204 217 191 205 305 206 433 219 103 218 74 129 192 148 0.922 30.55 -7.2 87 87 85 89 641 6.2 0.861 -0.060 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN EXBLK5S-N1006 Contamination 6.5921 1061.4 2.5 scans 74% 207 m/z 0.57% 0.106% 48 1.9 139 43739 0.226% 433126 317677 921064 10-5 18: 207 73 295 208 296 209 191 297 279 193 177 189 210 247 298 192 265 280 0.976 6.63 -1.9 99 99 96 99 295 41.8 9.056 -0.033 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.7731 1072.1 >5 scans 37% 73 m/z 6.4% 0.0141% 65 1.0 48 3896 0.106% 57573 57573 432003 0-0 5: 73 117 190 148 147 0.830 6.82 -2.8 88 86 85 97 295 3.0 0.000 -0.048 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1194 Alanine 7.3918 1108.8 7.3 scans 84% 116 m/z 0.77% 0.151% 124 0.5 108 32515 0.225% 616931 615577 916988 1-0 5: 116 73 147 117 100 0.994 7.40 -0.7 97 96 96 97 283 4.0 0.134 -0.012 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN A-KETO~2-N1006 Contamination?? 7.8895 1138.3 2.6 scans 73% 156 m/z 2.7% 0.0210% 171 1.1 68 9220 0.0359% 85735 81552 146311 1-3 7: 156 75 55 157 54 76 61 0.977 7.96 -3.9 98 98 94 98 156 36.7 29.153 -0.068 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1192 Contamination 7.9715 1143.1 2.8 scans 72% 147 m/z 4.0% 0.0194% 179 1.0 67 6218 0.0445% 79106 78850 181360 1-0 14: 147 73 133 152 220 235 59 86 148 146 72 160 103 100 0.978 7.99 -1.1 94 94 90 94 235 12.8 3.625 -0.017 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1188 Contamination 8.3745 1167.0 4.4 scans 66% 281 m/z 3.2% 0.0313% 217 1.4 61 7752 0.0341% 127863 107474 138975 6-3 11: 281 369 282 147 283 370 265 371 249 148 191 0.990 8.41 -2.4 99 99 96 99 369 19.7 10.358 -0.040 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1190 Contamination 8.4345 1170.6 2.9 scans 72% 73 m/z 2.5% 0.0243% 223 1.2 73 9767 0.0530% 99204 98972 216002 0-1 12: 73 117 211 140 198 77 186 70 74 126 69 103 0.974 8.48 -2.9 82 78 77 93 309 6.5 0.795 -0.049 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1186 Phosphate 8.5303 1176.2 2.4 scans 53% 241 m/z 2.5% 0.0155% 232 1.1 61 9983 63567 60639 1-1 9: 241 211 242 195 163 133 256 243 135 0.700 8.56 -1.8 94 95 79 96 299 0.0 0.000 -0.031 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1184 Valine 9.1574 1213.2 3.2 scans 90% 144 m/z 0.41% 0.140% 292 0.8 156 60822 0.150% 572543 524608 611326 6-2 18: 144 73 218 145 147 219 146 74 59 100 133 114 220 128 132 246 129 148 0.995 9.19 -1.8 99 98 98 99 218 46.1 8.751 -0.031 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1180 Benzoic acid 9.7245 1246.4 3.5 scans 75% TIC 1.8% 0.0381% 346 0.8 84 13254 0.0665% 155359 154273 271021 0-1 0.903 9.76 -2.1 97 97 93 98 194 12.6 2.224 -0.035 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1178 Ethanolamine 9.9928 1262.1 3.5 scans 91% 174 m/z 0.24% 0.264% 371 1.0 200 101277 1.44% 1076519 954726 5868725 2-0 20: 174 73 175 147 100 86 176 133 59 130 262 74 131 114 172 87 148 117 101 135 0.996 10.03 -2.4 100 99 99 99 262 22.5 1.262 -0.041 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN VEN77_S6-N1002 Glycerol 10.0759 1267.0 3.9 scans 72% TIC 0.028% 2.62% 379 1.3 625 877521 2.78% 10690669 10269209 11329900 1-2 0.765 10.09 -1.0 100 99 96 99 299 358.4 33.022 -0.018 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LACTIC~1-N1034 Glycerol 10.0854 1267.5 4.7 scans 57% 73 m/z (299) 0.066% 2.23% 380 0.7 517 374444 2.40% 9100184 8599894 9781209 1-3 4: 73 74 75 72 0.984 10.11 -1.5 94 95 94 99 293 33.5 0.420 -0.025 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2306 1276.0 2.5 scans 88% 73 m/z 0.90% 0.0525% 394 1.1 110 27699 214279 201609 1-1 15: 73 198 77 211 199 70 74 239 381 289 212 72 170 143 142 0.990 10.24 -0.6 98 97 96 97 381 12.3 1.235 -0.009 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1003 Isoleucine 10.4210 1287.2 2.8 scans 90% 158 m/z 0.44% 0.111% 412 1.0 155 56080 0.123% 452463 448008 501287 0-1 19: 158 73 218 159 147 232 117 219 100 160 74 59 133 233 148 128 57 132 220 0.999 10.45 -1.4 97 94 95 99 232 23.4 2.272 -0.024 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1012 Proline 10.5073 1292.2 2.8 scans 91% 142 m/z 0.16% 0.210% 420 1.1 214 151349 2.40% 856955 855741 9781209 1-0 19: 142 73 143 216 147 144 59 74 72 66 217 114 133 148 170 244 100 68 86 0.995 10.53 -1.6 100 99 99 99 216 39.6 3.434 -0.026 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5863 1296.9 2.8 scans 92% 147 m/z 0.15% 0.324% 428 0.9 258 160782 2.71% 1323408 1305480 11044615 1-0 20: 147 73 245 148 75 149 83 74 133 246 170 126 84 66 53 58 54 215 247 55 0.969 10.60 -0.9 100 99 98 99 245 58.5 5.141 -0.016 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1170 Glycine 10.6452 1300.3 3.2 scans 66% TIC 0.92% 0.0382% 433 1.1 111 27145 2.56% 156015 156015 10433289 0-0 0.940 10.69 -2.5 95 94 88 97 276 16.2 2.125 -0.042 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7388 1305.9 3.2 scans 94% 147 m/z 0.022% 2.64% 442 0.9 660 1099714 10759338 10281901 2-1 20: 147 73 251 76 148 149 132 58 252 133 74 177 176 150 146 59 118 253 62 222 0.977 10.76 -1.2 99 97 97 99 251 158.4 5.770 -0.019 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1168 Glyceric acid 11.0103 1322.3 2.5 scans 97% 73 m/z 0.13% 0.604% 468 0.9 376 190903 2463161 2337533 1-5 20: 73 147 292 189 133 103 205 293 102 117 148 190 75 307 74 294 59 149 101 191 1.000 11.05 -2.6 100 100 99 100 292 114.0 9.218 -0.044 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0713 1326.0 2.6 scans 66% 184 m/z 2.5% 0.0338% 474 1.0 88 9807 0.0691% 138062 138062 281617 0-0 16: 184 134 285 174 77 86 100 59 286 227 130 110 135 186 69 172 0.860 11.06 0.5 93 92 80 98 285 27.0 9.518 0.008 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1018 Uracil 11.1281 1329.4 2.3 scans 65% 241 m/z 5.1% 0.0124% 479 1.4 53 4882 50713 50140 0-2 7: 241 255 256 99 242 257 113 0.974 11.15 -1.2 95 94 90 98 256 18.3 11.792 -0.020 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1164 Itaconic acid 11.2070 1334.1 2.5 scans 74% 147 m/z 2.3% 0.0240% 487 0.9 71 10705 98129 91916 1-1 9: 147 259 148 215 149 97 166 74 141 0.960 11.25 -2.8 86 84 84 92 259 14.7 4.251 -0.045 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1162 Fumaric acid 11.3512 1342.8 2.5 scans 95% 245 m/z 0.20% 0.269% 500 1.1 240 121736 1096924 1045711 2-1 20: 245 147 73 246 75 247 143 83 148 133 149 155 240 53 74 84 157 59 127 54 0.997 11.39 -2.5 99 98 98 99 245 133.5 30.950 -0.042 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4512 1348.8 >4 scans 84% TIC 1.3% 0.0529% 510 1.4 100 19021 0.680% 215762 215274 2771342 1-0 0.983 11.45 0.3 88 83 95 99 145 28.1 7.941 0.005 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1160 Serine 11.5017 1351.9 2.6 scans 93% 204 m/z 0.19% 0.421% 515 1.0 302 129172 1718931 1617899 4-1 20: 204 73 218 205 147 100 219 278 206 133 75 74 306 220 59 116 132 101 148 203 0.991 11.56 -3.3 99 98 98 99 306 30.7 1.036 -0.055 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN BRA4_R~2-N1008 Thymine 11.5837 1356.8 3.0 scans 39% 144 m/z 19% 0.00280% 523 1.4 23 1306 11419 11419 0-0 3: 144 255 270 0.866 11.58 0.0 84 83 53 98 270 7.4 9.928 -0.000 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1024 Threonine 11.9110 1376.5 2.7 scans 95% TIC 0.35% 0.267% 554 1.0 235 71445 0.273% 1089360 1056809 1112612 0-1 0.994 11.92 -0.6 100 99 99 100 320 22.5 0.911 -0.010 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2736 1461.2 2.5 scans 71% 247 m/z 1.3% 0.0518% 683 1.0 110 19082 0.0647% 211221 208562 263685 0-1 16: 247 248 259 115 231 149 203 249 233 321 69 189 221 185 85 163 0.864 13.31 -2.1 96 96 94 97 349 11.7 1.126 -0.032 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1148 Glutamine?? 13.2851 1462.0 2.7 scans 29% 155 m/z (247 318) 1.3% 0.0237% 684 1.1 71 19082 0.0297% 96880 96437 121042 1-0 7: 155 156 229 139 59 157 100 0.635 13.35 -3.9 85 95 58 91 257 7.4 1.106 -0.062 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1146 Malic acid 13.5450 1478.3 2.5 scans 99% 73 m/z 0.027% 2.77% 709 0.6 776 915081 11294147 11288209 1-0 20: 73 147 233 245 133 189 75 148 190 191 175 335 149 74 101 55 234 265 131 217 0.998 13.62 -4.5 100 99 99 99 350 19.2 0.061 -0.072 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1142 Erythritol/Threitol 13.7081 1488.6 2.8 scans 77% 73 m/z 1.9% 0.0483% 724 1.7 95 12782 1.74% 197164 181530 7091376 0-1 16: 73 217 147 205 103 204 218 117 189 191 133 206 74 129 148 308 0.957 13.89 -11.5 96 96 93 96 320 8.3 0.769 -0.182 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN METHIO~1-N1066 Methionine 3TMS STD 14.0017 1507.5 2.7 scans 37% 176 m/z (156 232) 1.7% 0.0277% 752 1.2 75 14531 113151 109689 1-1 7: 176 128 177 250 293 178 160 0.822 14.06 -3.9 86 92 64 90 293 12.9 2.949 -0.058 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1028 Aspartic acid 14.0206 1508.7 2.6 scans 26% 232 m/z (156) 0.66% 0.0790% 754 1.1 130 37787 322054 296608 1-2 18: 232 233 100 218 234 202 188 306 334 216 117 292 142 221 101 102 190 235 0.722 14.02 0.2 91 92 90 98 258 6.3 0.000 0.004 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1140 Aspartic acid 14.0206 1508.7 2.6 scans 33% 232 m/z 0.65% 0.0979% 754 1.1 147 38550 399125 367589 1-2 18: 232 233 100 218 234 202 188 306 334 216 117 292 142 221 101 102 190 235 0.393 14.09 -4.4 87 92 62 96 349 8.3 0.319 -0.066 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0301 1509.4 2.9 scans 83% 156 m/z 0.19% 0.302% 755 0.9 244 131566 1234835 1176980 1-1 20: 156 73 147 157 230 258 158 259 231 72 58 140 66 112 55 86 260 155 154 84 0.865 14.03 0.1 98 96 97 100 258 46.5 3.636 0.000 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0301 1509.4 2.9 scans 75% 156 m/z (232) 0.18% 0.279% 755 0.9 231 134534 1137300 1084015 1-1 20: 156 73 147 157 230 258 158 259 231 72 58 140 66 112 55 86 260 155 154 84 0.988 14.11 -5.3 97 97 97 99 273 9.9 0.183 -0.080 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1032 GABA 14.1974 1520.5 2.5 scans 97% 174 m/z 0.034% 1.82% 771 0.7 636 721669 1.84% 7439273 7410986 7498927 1-0 20: 174 304 73 147 175 305 176 75 86 59 306 216 143 246 100 172 133 148 130 142 0.991 14.19 0.7 100 99 99 99 304 200.5 9.971 0.009 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3300 1529.2 2.6 scans 38% 239 m/z (292) 8.8% 0.00643% 784 1.1 37 2848 26241 26241 0-0 6: 239 342 343 263 240 254 0.926 14.37 -3.0 83 86 70 87 342 14.3 14.590 -0.044 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3605 1531.3 2.5 scans 64% 292 m/z 3.4% 0.0242% 786 1.1 72 7352 98686 98686 0-1 6: 292 220 205 293 221 294 0.931 14.69 -21.9 90 90 83 92 409 6.1 0.712 -0.332 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6088 1547.7 2.8 scans 79% TIC 2.1% 0.0375% 810 1.5 87 11724 153161 142530 0-1 0.976 14.62 -0.9 87 86 82 88 409 7.0 0.644 -0.012 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1118 Phenylalanine 15.6052 1614.5 2.7 scans 82% 218 m/z (328 267) 0.51% 0.161% 905 1.1 181 48556 659552 656717 0-2 12: 218 192 219 91 100 266 220 65 130 294 160 176 0.994 15.66 -3.7 91 93 93 96 294 14.0 0.599 -0.054 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1038 Xylose 15.8946 1634.6 >3 scans 65% TIC 4.0% 0.0156% 932 0.6 58 6239 0.106% 63894 60547 432003 1-0 0.945 15.89 0.4 89 88 86 94 307 15.2 6.974 0.005 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1040 Xylose 16.0061 1642.3 2.6 scans 83% 73 m/z 1.0% 0.0748% 943 1.0 129 22921 0.123% 305011 276572 501287 0-1 20: 73 103 217 307 147 189 308 160 205 218 277 201 133 148 104 105 74 89 219 234 0.978 16.00 0.2 97 96 95 99 307 34.3 7.083 0.002 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.2281 1657.7 2.6 scans 17% 290 m/z 3.0% 0.0102% 964 1.6 43 8126 0.0138% 41926 39627 56242 1-1 3: 290 291 292 0.898 16.28 -3.4 85 88 55 92 392 7.9 3.442 -0.048 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1108 Ribose 16.3239 1664.4 2.6 scans 96% 73 m/z 0.091% 0.956% 973 0.9 461 274986 3896540 3731488 2-1 20: 73 103 217 307 147 189 308 277 160 218 133 74 309 104 75 89 117 219 233 105 0.999 16.38 -3.5 94 90 93 98 467 12.3 0.071 -0.051 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1042 Ribose 16.4544 1673.4 2.7 scans 61% TIC 7.1% 0.00835% 985 1.5 44 3522 34030 30949 0-1 0.935 16.10 24.4 83 87 74 86 307 14.7 11.194 0.351 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6153 1684.6 2.6 scans 92% TIC 0.52% 0.177% 1001 1.1 195 47504 0.222% 724312 660447 904762 3-0 0.998 16.68 -4.2 100 99 98 99 497 4.7 0.058 -0.061 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9257 1706.5 2.7 scans 73% 73 m/z 2.4% 0.0303% 1030 1.1 90 10128 0.464% 123701 123701 1891034 0-0 15: 73 217 147 307 205 103 319 218 308 320 129 206 204 243 189 0.950 16.99 -4.6 91 91 90 91 422 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9973 1711.7 2.8 scans 90% TIC 0.56% 0.178% 1037 1.1 194 44705 0.758% 725475 668008 3089232 1-4 0.993 17.06 -4.8 95 94 95 94 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1096 Putrescine 17.1888 1725.7 2.7 scans 60% 174 m/z 0.62% 0.0535% 1055 1.2 106 40020 218191 208494 1-2 16: 174 175 214 176 86 200 172 361 100 146 173 376 187 362 114 126 0.982 17.25 -4.3 98 98 96 98 458 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1044 Putrescine 17.1888 1725.7 2.7 scans 70% 174 m/z (73) 0.63% 0.0639% 1055 1.2 114 39512 260483 248907 1-2 16: 174 175 214 176 86 200 172 361 100 146 173 376 187 362 114 126 0.987 17.19 0.1 96 98 96 99 376 9.2 0.648 0.001 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5665 1753.3 2.8 scans 91% 217 m/z 0.19% 0.302% 1091 1.1 249 126187 0.329% 1232734 1097659 1340841 5-1 19: 217 73 218 147 219 450 75 74 133 232 129 191 305 451 148 257 149 220 143 0.992 17.63 -4.7 97 96 96 98 450 32.5 1.697 -0.065 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6949 1762.6 >3 scans 51% TIC 4.3% 0.0132% 1103 1.1 73 5713 0.402% 54007 54007 1638352 0-0 0.920 17.70 -0.3 89 90 76 90 375 9.2 1.580 -0.004 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1046 Shikimic acid 18.1295 1794.3 3.1 scans 81% TIC 0.46% 0.160% 1145 1.0 174 53894 0.579% 653124 652510 2359717 0-1 0.947 18.13 0.3 95 94 92 99 372 20.1 1.326 0.004 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1082 Citric acid 18.2515 1803.4 3.4 scans 82% TIC 0.34% 0.330% 1156 1.4 242 71904 0.588% 1347810 1333982 2396396 3-0 0.938 18.32 -5.3 97 96 94 98 465 36.4 2.269 -0.069 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN ME-ADG~1-N1046 Methyl-a-glycopuranose 18.6913 1836.9 2.8 scans 69% 204 m/z 1.3% 0.0500% 1198 1.0 102 18528 0.349% 203896 196309 1422351 2-2 6: 204 205 133 206 285 131 0.940 19.12 -32.8 83 86 85 88 467 0.0 0.000 -0.430 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1076 Pregnane?? 18.7871 1844.2 2.9 scans 97% 345 m/z 0.030% 2.83% 1207 0.9 743 834954 11544058 11298259 1-0 20: 345 73 346 255 147 347 334 204 256 191 435 419 133 372 148 74 257 239 348 75 0.999 18.86 -5.5 100 99 99 100 537 59.2 0.637 -0.071 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1074 Adenine 18.8807 1851.4 3.2 scans 87% TIC 0.30% 0.157% 1216 1.1 178 82032 2.80% 643176 583807 11411410 0-1 0.994 18.94 -4.5 95 93 79 97 415 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1072 Fructose 18.9891 1859.7 5.4 scans 97% 73 m/z 0.016% 13.5% 1226 0.8 1214 1544112 55072288 53466167 1-1 20: 73 307 217 103 147 308 277 218 309 133 364 189 205 74 117 219 104 89 148 75 1.000 19.03 -3.3 100 98 99 100 364 143.9 1.409 -0.044 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1070 Fructose 19.1238 1869.9 4.9 scans 78% 307 m/z (279) 0.027% 8.13% 1239 0.4 976 911304 33143270 31330170 2-1 20: 307 308 218 277 309 364 74 219 262 104 278 263 365 335 554 201 333 310 221 216 0.992 19.19 -5.4 91 92 93 94 554 60.0 0.379 -0.070 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1052 Fructose 19.1269 1870.2 5.1 scans 97% TIC 0.019% 10.0% 1239 0.4 1087 1255669 46.3% 41017824 40159302 188695819 2-1 1.000 19.10 1.8 100 99 100 100 364 129.0 1.413 0.023 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1066 Glucose 19.2311 1878.1 4.9 scans 44% 319 m/z (73) 0.060% 1.58% 1249 1.2 438 412740 18.9% 6456415 6420119 77027019 1-0 20: 319 205 217 320 321 218 189 148 157 307 207 291 161 322 231 305 318 262 190 274 0.908 19.40 -12.8 83 85 61 87 319 245.8 31.569 -0.168 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1064 Mannose 19.3511 1887.3 5.2 scans 96% 73 m/z 0.010% 18.0% 1261 0.3 1469 2356387 21.1% 73723547 70941583 85993127 0-1 20: 73 319 205 147 160 217 320 103 206 321 117 229 133 157 129 74 148 161 204 189 0.996 19.45 -7.9 100 99 99 100 319 587.4 16.057 -0.104 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1059 Glucose 19.5636 1903.7 2.8 scans 96% TIC 0.025% 5.66% 1281 0.4 937 965483 5.91% 23068966 22100895 24086227 2-0 0.993 19.55 1.0 100 99 99 99 376 38.8 0.172 0.012 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1060 Lysine 19.6204 1908.2 2.8 scans 84% 174 m/z 0.50% 0.246% 1286 1.1 229 49198 1.80% 1003743 1002509 7335907 0-1 18: 174 317 73 156 318 230 128 175 100 86 434 115 200 176 130 59 228 88 0.993 19.69 -5.9 88 83 69 96 479 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7225 1916.4 >4 scans 63% TIC 3.6% 0.0170% 1296 1.0 73 6779 4.32% 69590 69590 17606176 0-0 0.952 19.79 -5.5 82 81 69 84 434 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN N406_R~2-N1016 Galacturonic acid 19.7825 1921.3 2.7 scans 30% 333 m/z 2.4% 0.0181% 1302 1.2 61 10418 0.0231% 73792 65657 94144 1-3 9: 333 160 334 335 364 305 274 423 314 0.970 19.79 -0.8 96 96 94 97 423 7.8 1.632 -0.011 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.3001 1962.9 2.9 scans 83% TIC 0.55% 0.172% 1351 1.0 188 45422 703784 691934 0-1 0.904 20.30 0.4 97 99 94 98 433 21.1 1.261 0.004 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN WTF2-N1038 C16:0 21.1408 2031.8 2.9 scans 85% 313 m/z 2.3% 0.0453% 1431 1.3 93 10481 184681 162131 1-10 16: 313 117 132 75 129 314 145 55 328 57 131 69 315 130 116 83 0.987 20.62 43.5 89 94 91 95 328 10.8 1.371 0.524 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6754 2076.8 3.0 scans 97% 305 m/z 0.019% 7.62% 1482 0.5 1184 1267267 31077851 29589720 1-1 20: 305 217 73 318 147 191 306 319 265 204 307 218 432 433 367 320 133 129 291 148 0.999 21.75 -6.1 100 100 100 100 507 97.4 0.680 -0.074 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8658 2092.8 3.0 scans 97% 319 m/z 0.066% 1.78% 1500 0.9 562 374991 7277561 7021891 1-3 20: 319 73 205 147 320 217 321 103 262 206 117 204 157 229 74 133 148 129 89 191 0.999 21.93 -5.3 95 92 96 99 656 13.7 0.059 -0.064 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN GUANINE-N1026 Guanine 3TMS STD 22.0142 2105.4 2.5 scans 55% 352 m/z 2.2% 0.0171% 1514 1.1 61 11237 70003 65321 1-2 7: 352 367 353 354 368 264 369 0.990 22.05 -3.0 93 92 63 94 367 22.2 13.395 -0.035 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1909 2120.9 2.7 scans 67% 396 m/z (319) 0.30% 0.291% 1531 1.1 242 82673 0.317% 1186745 1153281 1291935 0-4 20: 396 73 219 397 381 398 220 191 307 147 382 249 293 217 74 133 75 321 308 399 0.968 22.19 0.4 95 97 89 97 396 110.0 20.740 0.005 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6707 2162.8 3.5 scans 74% 204 m/z 2.9% 0.0239% 1576 1.1 61 8423 0.0286% 97645 87132 116559 1-3 5: 204 205 145 361 206 0.986 22.71 -3.7 92 93 91 92 518 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN WTF2-N1036 C18:0 23.3925 2227.0 3.1 scans 84% 341 m/z 4.3% 0.0326% 1645 1.4 72 5814 132897 118937 0-15 14: 341 117 145 342 132 129 75 55 57 343 356 201 69 83 0.976 22.89 45.2 87 93 86 93 356 9.1 1.628 0.504 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1024 Glycerolgalactose 24.1249 2294.0 2.7 scans 99% 204 m/z 0.034% 2.05% 1714 0.9 646 725836 8389377 8384900 1-0 20: 204 73 217 147 205 337 103 129 206 218 219 191 338 361 133 74 148 131 203 75 0.999 24.18 -5.1 98 96 98 99 581 14.0 0.048 -0.057 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6489 2343.5 3.2 scans 96% 73 m/z 0.25% 0.646% 1764 0.6 311 99080 2633680 2618568 3-0 20: 73 331 147 191 217 421 307 205 262 319 103 332 305 259 204 333 422 218 117 306 0.994 24.65 -0.1 98 96 98 100 466 19.1 0.377 -0.001 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7509 2353.2 2.8 scans 84% 73 m/z 4.8% 0.0218% 1774 0.8 67 5173 0.351% 89041 82789 1430502 1-1 12: 73 217 204 292 375 147 305 219 103 218 451 376 0.988 24.81 -5.2 86 86 83 86 451 8.8 1.725 -0.054 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5313 2528.7 2.7 scans 91% 512 m/z 2.4% 0.0500% 1943 1.0 102 10143 0.0507% 203912 186524 206628 5-1 20: 512 455 73 513 247 456 514 57 483 349 263 457 497 248 484 219 423 191 179 147 0.997 26.57 -4.4 97 96 88 96 512 38.5 14.143 -0.042 G:\GCMS data\Nicotiana Panel polar\N506_REP2.FIN LQC1-N1014 Sucrose 27.3709 2616.0 3.0 scans 98% 361 m/z 0.10% 0.858% 2023 1.1 408 242228 3499989 3461931 0-1 20: 361 73 362 217 437 363 147 271 103 438 129 218 451 243 169 319 191 439 74 364 0.999 27.49 -12.7 100 99 98 100 437 79.7 3.818 -0.119 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN EXBLK5S-N1006 Contamination 6.5942 1061.5 2.5 scans 61% 207 m/z 0.75% 0.0972% 48 2.4 111 29197 0.224% 277814 222246 639588 10-5 12: 207 295 208 209 296 191 297 279 193 210 192 177 0.949 6.63 -1.8 98 98 93 98 295 33.5 9.075 -0.031 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.7773 1072.3 >5 scans 28% 147 m/z 5.7% 0.0223% 66 0.6 43 3824 0.0736% 63675 50347 210150 0-10 3: 147 117 191 0.889 6.82 -2.6 86 83 82 96 295 3.3 0.000 -0.044 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1194 Alanine 7.3833 1108.3 7.9 scans 77% TIC 0.99% 0.123% 123 0.7 88 22183 0.392% 352255 352255 1119278 0-0 0.984 7.40 -1.2 96 96 93 96 283 3.6 0.172 -0.021 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN A-KETO~2-N1006 Contamination?? 7.8926 1138.4 2.8 scans 78% 156 m/z 1.6% 0.0466% 172 1.2 81 13058 0.0656% 133057 127759 187308 2-2 8: 156 75 55 157 54 61 74 158 0.974 7.96 -3.8 99 98 96 99 156 43.8 29.004 -0.064 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1192 Contamination 7.9736 1143.2 2.7 scans 58% 147 m/z 6.9% 0.0126% 179 1.1 49 3184 0.0354% 36210 35486 101078 2-0 7: 147 73 152 133 235 167 220 0.956 7.99 -1.0 86 86 82 88 235 9.9 4.051 -0.015 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1188 Contamination 8.3724 1166.9 4.1 scans 73% 281 m/z 3.3% 0.0403% 217 1.4 61 6638 0.0468% 115213 99554 133628 7-1 9: 281 369 282 147 370 283 371 265 249 0.969 8.41 -2.5 97 97 83 98 369 19.2 9.774 -0.043 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1190 Contamination 8.4955 1174.2 6.6 scans 50% 140 m/z 5.2% 0.0161% 229 1.3 45 4191 0.0287% 45970 42594 81947 3-0 7: 140 211 198 69 77 186 70 0.947 8.48 0.7 85 86 80 86 309 5.3 1.383 0.011 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1186 Phosphate 8.5323 1176.4 2.5 scans 61% 241 m/z 1.3% 0.0388% 232 1.2 77 16817 111003 106368 1-2 10: 241 242 163 256 133 243 135 98 195 137 0.855 8.56 -1.6 95 94 82 97 299 0.0 0.000 -0.029 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1184 Valine 9.1584 1213.3 3.1 scans 82% 144 m/z (156) 1.1% 0.0618% 292 0.9 84 19261 0.0882% 176513 152557 251838 7-9 9: 144 73 218 145 219 146 100 74 220 0.979 9.19 -1.7 97 98 95 98 218 26.9 10.119 -0.030 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1180 Benzoic acid 9.7245 1246.4 3.3 scans 78% TIC 1.8% 0.0498% 346 1.1 78 11700 0.0698% 142448 131405 199300 1-0 0.908 9.76 -2.1 98 98 94 98 194 12.2 2.430 -0.035 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1178 Ethanolamine 9.9917 1262.1 3.4 scans 73% 174 m/z 1.5% 0.0404% 371 1.1 71 14286 0.445% 115366 114134 1270609 1-0 7: 174 175 100 176 133 262 130 0.980 10.03 -2.4 96 95 91 96 262 8.8 1.535 -0.042 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN VEN77_S6-N1002 Glycerol 10.0927 1268.0 3.3 scans 94% 299 m/z 0.0074% 9.07% 381 0.5 1059 2968343 25913700 23569934 1-1 20: 299 300 314 73 301 133 283 207 315 211 147 193 191 316 225 302 135 298 74 284 0.998 10.09 -0.0 99 98 95 99 299 660.8 39.184 -0.001 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2348 1276.3 2.4 scans 88% 73 m/z 0.69% 0.0784% 394 1.2 116 31583 223977 223955 0-1 19: 73 198 77 211 70 199 74 239 212 381 289 200 142 72 170 63 92 143 78 0.983 10.24 -0.3 98 98 96 98 381 13.1 1.283 -0.005 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1176 Isoleucine 10.4221 1287.2 2.7 scans 82% 158 m/z 0.86% 0.0741% 412 1.1 109 25387 0.109% 211662 209510 311228 1-1 13: 158 218 159 117 232 160 219 100 103 220 132 118 217 0.995 10.46 -2.2 93 90 90 97 260 7.0 0.421 -0.037 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1012 Proline 10.5094 1292.4 2.8 scans 93% 142 m/z (180) 0.075% 0.640% 420 1.0 300 292077 4.24% 1828827 1811497 12106479 2-0 20: 142 73 143 216 147 144 75 59 74 72 217 66 148 101 218 100 133 70 99 170 0.996 10.53 -1.4 97 98 98 100 216 55.0 3.378 -0.024 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1014 Maleic acid 10.5873 1296.9 2.8 scans 93% 147 m/z 0.13% 0.436% 428 0.9 259 165896 4.29% 1246715 1246715 12249244 0-0 20: 147 73 245 148 75 149 83 133 246 74 84 170 126 143 59 58 247 54 215 72 0.996 10.60 -0.9 99 98 98 98 245 61.7 5.654 -0.015 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7430 1306.2 3.2 scans 93% 147 m/z 0.018% 4.20% 443 0.7 691 1193901 11993225 10716453 2-2 20: 147 73 251 76 148 149 132 58 252 74 133 177 176 150 75 131 118 59 175 57 0.993 10.76 -0.9 99 97 96 99 251 167.7 5.920 -0.015 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1168 Glyceric acid 11.0081 1322.2 2.6 scans 91% 73 m/z 0.61% 0.161% 468 1.1 160 36007 0.192% 459746 435826 548218 1-2 20: 73 147 189 292 133 205 103 293 117 307 190 102 148 294 74 101 75 59 149 191 0.992 11.05 -2.7 99 98 98 99 292 47.8 8.959 -0.046 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0723 1326.0 2.6 scans 65% 184 m/z 5.3% 0.0206% 474 1.1 57 4125 0.0379% 59001 58939 108216 1-0 10: 184 134 285 174 77 86 185 100 227 286 0.936 11.06 0.5 96 97 88 97 285 17.8 9.693 0.009 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1018 Uracil 11.1281 1329.4 2.4 scans 68% 241 m/z 4.5% 0.0180% 479 1.4 53 4850 51540 51155 0-2 7: 241 256 255 99 113 242 257 0.976 11.15 -1.2 97 96 93 99 256 19.0 12.675 -0.020 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1164 Itaconic acid 11.2091 1334.3 2.7 scans 76% 147 m/z 2.1% 0.0363% 487 0.8 71 10283 0.0417% 103757 90157 119066 2-3 8: 147 73 259 148 215 149 97 230 0.970 11.25 -2.6 86 84 84 91 259 14.4 4.151 -0.043 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1162 Fumaric acid 11.3512 1342.8 2.5 scans 94% 245 m/z 0.24% 0.267% 500 1.1 203 89659 763742 737751 2-1 20: 245 147 73 246 75 143 247 83 133 148 84 115 240 149 155 53 74 59 157 85 0.995 11.39 -2.5 100 99 98 99 245 114.9 31.876 -0.042 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4501 1348.8 >3 scans 88% TIC 1.0% 0.0671% 510 0.8 102 20262 2.01% 191595 190715 5739156 1-0 0.996 11.45 0.3 95 92 97 99 145 28.4 7.738 0.004 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1160 Serine 11.5100 1352.4 2.7 scans 96% 204 m/z 0.053% 1.83% 515 0.8 517 414333 5241968 5014564 1-1 20: 204 73 218 205 147 100 219 188 278 206 75 133 74 306 220 116 59 189 148 216 0.999 11.56 -2.8 100 99 99 99 306 54.6 1.117 -0.047 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1024 Threonine 11.9130 1376.6 2.5 scans 96% TIC 0.22% 0.476% 554 1.0 277 98548 1361045 1328131 3-1 0.998 11.92 -0.5 100 99 99 100 320 25.6 0.852 -0.008 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1150 Citrulline 13.0263 1445.7 2.9 scans 77% TIC 4.2% 0.0423% 660 0.9 72 5145 0.0453% 120973 109182 129345 1-1 0.963 13.08 -3.1 92 92 87 92 258 9.2 1.635 -0.050 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1148 Glutamine?? 13.2935 1462.5 2.6 scans 94% TIC 0.17% 0.366% 685 0.8 238 129217 1045893 1018148 1-1 0.995 13.35 -3.4 99 98 99 99 257 18.2 0.583 -0.054 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1146 Malic acid 13.5345 1477.7 2.4 scans 98% 73 m/z 0.046% 1.82% 708 0.7 550 472609 5202048 5202048 0-0 20: 73 147 233 245 133 189 75 190 148 175 335 191 74 55 149 101 234 217 265 307 1.000 13.62 -5.1 100 99 99 99 350 13.4 0.059 -0.083 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1142 Erythritol/Threitol 13.7102 1488.7 2.5 scans 62% 217 m/z 3.5% 0.0375% 724 1.2 76 6262 107357 101332 1-3 9: 217 205 307 191 204 218 293 206 148 0.980 13.89 -11.4 93 93 84 93 320 6.3 0.691 -0.180 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1144 Contamination Parabanica acid 13.7449 1490.9 2.9 scans 88% TIC 1.2% 0.103% 728 1.1 130 18106 2.05% 296425 295033 5853368 0-1 0.998 13.81 -3.9 97 97 95 97 243 50.8 15.333 -0.061 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0195 1508.7 2.6 scans 24% 232 m/z (156) 0.32% 0.164% 754 1.1 160 66682 468837 453818 1-1 19: 232 233 218 100 234 202 188 306 216 292 334 130 220 204 235 203 221 349 307 0.728 14.02 0.2 93 93 92 99 258 7.2 0.000 0.003 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1140 Aspartic acid 14.0195 1508.7 2.6 scans 23% 232 m/z 0.32% 0.154% 754 1.1 157 67037 442241 428074 1-1 19: 232 233 218 100 234 202 188 306 216 292 334 130 220 204 235 203 221 349 307 0.566 14.09 -4.4 91 94 52 93 349 11.1 0.499 -0.067 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0364 1509.8 3.5 scans 90% TIC 0.067% 1.21% 756 0.7 374 326977 3478396 3418991 1-0 0.935 14.03 0.5 99 98 98 100 258 74.6 3.979 0.006 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0385 1509.9 3.1 scans 94% 156 m/z 0.062% 1.13% 756 0.7 383 353519 3232643 3232643 0-0 20: 156 73 147 258 157 230 158 75 74 231 259 72 140 148 59 133 58 121 112 149 0.980 14.11 -4.8 99 97 97 99 273 16.0 0.175 -0.072 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1134 GABA 14.1910 1520.0 2.7 scans 94% TIC 0.046% 1.86% 770 0.9 514 469481 2.41% 5337225 5337225 6881277 0-0 0.994 14.24 -3.4 99 98 97 98 304 160.7 9.794 -0.051 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6066 1547.6 2.6 scans 82% TIC 1.2% 0.0789% 810 1.3 108 17392 225547 206047 0-1 0.959 14.62 -1.0 94 94 87 94 409 8.7 0.650 -0.014 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6066 1547.6 2.6 scans 81% 73 m/z 1.3% 0.0781% 810 1.2 108 16372 223156 187673 1-2 20: 73 292 147 220 205 294 103 117 148 319 221 149 409 102 74 133 206 291 245 222 0.993 14.69 -5.6 94 92 89 95 409 8.7 0.661 -0.085 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7361 1556.2 2.7 scans 43% 174 m/z (267) 0.83% 0.0743% 822 1.1 105 26341 212370 202011 1-1 10: 174 86 175 176 250 100 130 162 131 117 0.942 14.16 37.9 89 95 91 98 250 21.1 3.998 0.571 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1126 Pyrazine 15.0707 1578.4 2.5 scans 91% 73 m/z 0.63% 0.193% 854 0.9 178 34859 553623 537302 1-0 20: 73 227 344 301 345 147 154 302 228 139 126 211 346 329 128 59 303 74 112 212 0.972 15.13 -4.0 100 99 97 99 344 54.7 9.508 -0.061 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1036 Glutamic acic 15.5010 1607.2 2.6 scans 71% TIC 3.2% 0.0236% 895 0.6 60 6845 0.0906% 67638 67638 258690 0-0 0.955 15.50 -0.2 96 94 91 100 363 6.6 1.198 -0.002 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1118 Phenylalanine 15.5999 1614.1 >3 scans 89% TIC 1.1% 0.111% 904 1.5 120 18935 0.240% 318561 307605 685272 1-0 0.991 15.66 -4.1 93 91 91 96 294 8.9 0.557 -0.059 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1038 Xylose 15.8893 1634.2 2.9 scans 45% 103 m/z 6.2% 0.0132% 932 1.3 41 3501 0.0221% 37749 37731 63102 0-1 3: 103 307 217 0.794 15.89 -0.0 85 89 76 92 307 13.2 10.247 -0.001 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1040 Xylose 16.0019 1642.0 2.7 scans 79% 73 m/z 1.2% 0.0833% 942 1.2 109 17748 238052 222820 1-1 20: 73 103 217 147 189 308 160 117 204 218 277 309 129 89 75 74 105 191 131 148 0.970 16.00 -0.1 96 96 94 97 307 29.9 7.435 -0.002 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1042 Ribose 16.1018 1648.9 2.9 scans 85% TIC 1.4% 0.0663% 952 0.8 100 15210 0.886% 189464 189464 2529797 0-0 0.989 16.10 -0.1 96 94 94 98 307 29.4 8.691 -0.001 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1108 Ribose 16.3165 1663.9 2.6 scans 90% TIC 0.46% 0.251% 972 0.8 188 47327 0.890% 716798 624920 2541218 2-3 0.996 16.38 -4.0 96 94 95 98 467 3.1 0.027 -0.059 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6121 1684.4 2.6 scans 94% TIC 0.43% 0.283% 1000 1.4 205 50185 0.348% 809256 809256 993645 0-0 0.995 16.68 -4.4 100 99 98 100 497 6.0 0.086 -0.064 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9225 1706.2 2.6 scans 46% 217 m/z 4.1% 0.0261% 1030 1.0 66 5282 0.246% 74665 74665 702404 0-0 9: 217 307 205 319 103 218 308 204 129 0.751 16.99 -4.9 87 88 64 89 422 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9972 1711.7 2.8 scans 78% 73 m/z 0.91% 0.126% 1037 1.2 137 23945 0.646% 362073 362073 1844525 0-0 20: 73 217 319 147 205 103 307 204 218 129 189 320 219 206 308 305 243 74 203 148 0.899 17.06 -4.8 90 90 88 90 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1096 Putrescine 17.1877 1725.6 2.7 scans 69% 174 m/z 0.28% 0.154% 1055 1.0 153 76638 440031 398663 2-1 18: 174 175 214 176 86 172 200 361 130 100 142 146 376 362 126 128 114 187 0.995 17.25 -4.4 97 96 96 98 458 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1044 Putrescine 17.1877 1725.6 2.7 scans 77% 174 m/z (73) 0.29% 0.178% 1055 1.0 162 74955 511015 462973 2-1 18: 174 175 214 176 86 172 200 361 130 100 142 146 376 362 126 128 114 187 0.994 17.19 -0.0 96 96 96 99 376 12.9 0.640 -0.000 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5665 1753.2 2.7 scans 92% TIC 0.24% 0.281% 1091 1.1 211 88483 0.836% 803513 803513 2387032 0-0 0.993 17.63 -4.8 94 93 93 95 450 35.5 2.816 -0.066 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1088 Glutamine?? 17.6507 1759.4 6.5 scans 75% TIC 0.68% 0.175% 1099 1.0 167 32243 1.38% 501620 494562 3940316 1-0 0.994 17.73 -5.5 81 80 88 81 511 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6949 1762.6 2.6 scans 24% 334 m/z (319) 2.8% 0.0479% 1103 1.1 83 7798 0.0585% 136909 130946 167035 2-0 10: 334 256 335 255 336 167 211 267 285 376 0.796 17.70 -0.3 85 90 50 88 375 13.4 2.597 -0.004 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1046 Shikimic acid 18.1231 1793.9 2.8 scans 85% TIC 0.42% 0.160% 1144 1.0 161 51588 0.735% 458701 458701 2098647 0-0 0.963 18.13 -0.1 94 93 91 96 372 20.1 1.564 -0.002 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1082 Citric acid 18.2472 1803.1 2.7 scans 84% 273 m/z 0.33% 0.377% 1156 1.1 240 64683 0.504% 1078054 1076780 1439072 0-1 20: 273 73 147 363 375 347 274 465 211 275 376 364 75 348 257 149 305 148 466 221 0.972 18.32 -5.6 98 97 94 99 465 37.0 2.377 -0.074 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1076 Pregnane?? 18.7860 1844.2 2.6 scans 98% 345 m/z 0.018% 4.89% 1207 0.8 879 1181012 13973676 13727002 1-0 20: 345 73 346 255 147 347 334 204 191 256 419 435 372 257 133 148 239 74 348 75 0.999 18.86 -5.5 100 100 99 100 537 68.0 0.602 -0.072 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1074 Adenine 18.8744 1850.9 2.8 scans 53% 264 m/z 1.0% 0.0506% 1215 1.4 82 21133 0.0735% 144527 144527 209865 0-0 7: 264 265 279 266 192 280 281 0.942 18.94 -5.0 95 95 91 97 415 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1072 Fructose 18.8944 1852.4 >3 scans 74% 73 m/z 0.96% 0.114% 1217 1.1 124 22858 2.77% 327690 324381 7909186 1-0 17: 73 307 217 103 147 189 308 219 364 188 262 133 74 309 277 191 365 0.849 19.03 -10.6 86 85 87 87 364 12.4 1.003 -0.139 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1050 Fructose 18.9480 1856.5 2.6 scans 93% 73 m/z 0.090% 1.24% 1222 1.0 445 244217 2.62% 3564539 3346613 7480890 0-3 20: 73 103 217 307 147 308 218 277 133 309 74 117 189 364 205 104 219 89 148 75 1.000 18.98 -2.5 100 99 99 99 364 47.3 1.134 -0.032 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1052 Fructose 19.0690 1865.8 2.9 scans 91% 73 m/z (216) 0.11% 1.30% 1234 0.6 388 186986 2.74% 3733779 3395300 7823527 0-3 20: 73 307 217 103 147 308 218 277 309 364 74 262 219 104 89 133 117 204 189 205 0.998 19.10 -2.6 97 98 98 98 364 43.9 1.285 -0.035 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1064 Mannose 19.2774 1881.6 2.6 scans 98% 319 m/z 0.046% 2.90% 1254 0.8 668 475522 8297377 8297377 0-0 20: 319 73 205 147 160 320 217 321 103 206 117 133 74 229 129 148 157 189 204 291 1.000 19.45 -13.6 99 98 99 99 319 252.6 14.347 -0.178 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1062 Glucose 19.5120 1899.5 3.4 scans 79% TIC 0.18% 0.756% 1276 0.7 301 121070 2161252 2063797 1-1 0.840 19.66 -11.6 82 86 77 92 319 96.0 0.000 -0.144 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1059 Glucose 19.5131 1899.6 3.3 scans 89% 73 m/z 0.17% 0.817% 1276 0.8 320 128882 2332825 2332364 1-0 20: 73 147 103 133 74 117 89 148 204 157 291 75 161 235 149 233 131 219 104 105 0.939 19.55 -3.1 95 93 96 97 376 11.3 0.124 -0.039 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1061 Lysine 19.6004 1906.6 2.6 scans 85% 317 m/z 1.2% 0.120% 1284 1.1 133 17302 343463 343463 0-0 18: 317 174 156 230 128 318 175 319 86 100 434 176 200 88 157 218 59 130 0.996 19.61 -1.0 88 83 82 97 434 14.6 1.192 -0.013 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7024 1914.8 2.8 scans 79% TIC 1.3% 0.0617% 1294 1.2 106 15904 0.209% 176274 168486 596758 1-0 0.993 19.79 -7.1 87 86 88 88 434 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN N406_R~2-N1016 Galacturonic acid 19.7498 1918.6 2.7 scans 28% 333 m/z (73) 8.3% 0.00601% 1298 1.0 29 2638 17179 17179 0-0 3: 333 160 334 0.807 19.79 -3.5 85 88 79 90 423 3.6 1.518 -0.043 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN BRA4_R~2-N1010 Tyrosine 19.8003 1922.7 3.7 scans 69% TIC 1.8% 0.0426% 1303 1.6 81 11785 0.193% 121827 121827 551073 0-0 0.982 19.82 -1.4 82 77 78 94 382 7.4 0.849 -0.018 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1056 Ascorbic acid 19.8876 1929.7 2.5 scans 49% 332 m/z 5.7% 0.0187% 1312 1.0 54 3845 53500 48396 1-1 3: 332 374 289 0.887 19.99 -8.0 85 86 79 88 449 5.9 1.210 -0.098 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2875 1961.9 2.9 scans 80% TIC 0.67% 0.177% 1350 1.1 156 32735 0.182% 506130 485199 519665 1-1 0.874 20.30 -0.6 95 97 93 96 433 17.2 1.215 -0.009 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1048 Galactaric acid 21.0724 2026.1 2.7 scans 70% TIC 6.8% 0.0115% 1424 1.5 43 3210 0.0719% 32977 32977 205296 0-0 0.949 21.15 -6.6 80 81 74 82 627 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6774 2076.9 3.1 scans 96% 305 m/z 0.014% 13.3% 1482 0.5 1306 1503319 38003584 34519898 1-1 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 320 367 129 133 433 192 148 1.000 21.75 -6.0 100 100 100 100 507 107.2 0.676 -0.072 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8605 2092.3 3.1 scans 95% 319 m/z 0.095% 1.64% 1499 1.0 446 230459 4708175 4233837 2-3 20: 319 73 205 147 320 217 321 103 262 206 117 204 229 74 133 157 148 89 129 291 0.997 21.93 -5.8 95 92 96 99 656 10.0 0.050 -0.069 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1804 2119.9 2.6 scans 92% 396 m/z 0.19% 0.553% 1530 1.1 285 110986 1580477 1558533 0-1 20: 396 219 73 397 381 398 220 191 307 382 249 293 75 74 383 221 399 308 233 175 0.984 22.19 -0.6 99 98 95 99 396 127.8 20.151 -0.006 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6696 2162.7 3.6 scans 74% TIC 4.2% 0.0188% 1576 1.4 46 5125 0.0222% 53851 49539 63388 1-0 0.984 22.71 -3.8 87 87 84 87 518 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN BRA4_R~4-N1012 Spermidine 22.8906 2182.0 3.0 scans 70% 174 m/z 9.7% 0.0174% 1597 1.5 47 2260 0.0182% 49787 48378 51966 1-0 8: 174 200 201 172 418 86 146 175 0.966 22.90 -0.8 96 97 95 99 418 8.2 3.005 -0.009 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN WTF2-N1036 C18:0 23.3904 2226.8 3.3 scans 83% 341 m/z 3.1% 0.0521% 1645 1.8 76 6997 0.0564% 148968 124536 161039 1-4 13: 341 117 132 342 75 145 129 55 356 69 343 201 131 0.989 22.89 45.0 87 93 87 93 356 10.6 1.959 0.501 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN BRA4_R~2-N1006 Spermidine 23.5082 2237.6 2.9 scans 65% TIC 13% 0.0109% 1656 0.4 39 1658 0.112% 31310 31019 319794 0-1 0.978 23.51 -0.1 81 83 83 83 490 0.0 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1217 2293.7 2.7 scans 87% 204 m/z 1.5% 0.0526% 1714 1.0 88 14330 0.0805% 150435 128797 229852 1-4 16: 204 73 147 217 205 103 219 206 218 129 191 361 200 203 74 133 0.998 24.01 10.2 91 89 90 94 490 0.0 0.000 0.112 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6499 2343.6 3.4 scans 96% 73 m/z 0.33% 0.609% 1764 0.5 248 65264 1741089 1725642 1-1 20: 73 147 217 191 331 421 205 307 262 103 305 332 319 259 218 333 291 204 422 117 0.995 24.65 0.0 99 98 99 100 466 14.5 0.342 -0.000 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7446 2352.6 2.7 scans 91% 73 m/z 1.6% 0.0901% 1773 1.1 117 13644 0.477% 257495 248696 1361979 2-1 20: 73 217 204 147 292 375 305 103 205 219 451 218 376 306 131 333 293 363 133 129 0.997 24.81 -5.8 94 93 92 93 451 15.0 1.662 -0.060 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5301 2528.6 2.7 scans 91% 512 m/z 1.9% 0.0727% 1943 1.0 107 11110 207592 201317 1-1 20: 512 73 455 513 247 456 57 483 514 457 423 219 263 484 349 497 207 248 74 191 0.998 26.57 -4.5 97 96 89 96 512 40.4 14.368 -0.043 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1010 Sucrose 27.4077 2619.9 5.7 scans 97% 363 m/z 0.0069% 26.6% 2026 0.2 1410 3156239 76231552 76229569 1-0 20: 363 437 451 438 364 365 332 450 333 321 220 232 292 317 227 322 334 335 202 161 0.998 27.58 -18.3 100 98 98 99 437 284.0 4.091 -0.171 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1018 Sucrose 27.4077 2619.9 5.7 scans 43% 363 m/z (305) 0.016% 11.9% 2026 0.2 943 1298160 34249640 34248749 1-0 20: 363 437 451 438 364 365 332 450 333 321 220 232 292 317 227 322 334 335 202 161 0.695 27.47 -6.6 82 92 45 84 437 284.0 9.117 -0.062 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1008 Sucrose 27.4129 2620.5 5.5 scans 56% 361 m/z (305) 0.015% 15.4% 2027 0.2 1092 1433609 44240258 43903604 1-0 20: 361 73 362 217 147 271 103 169 319 129 243 218 191 331 219 74 272 204 205 230 0.841 27.59 -19.0 81 94 65 82 437 136.1 0.000 -0.178 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN LQC1-N1016 Sucrose 27.4129 2620.5 5.5 scans 53% 361 m/z (363) 0.015% 14.6% 2027 0.2 1063 1433609 41883228 41564510 1-0 20: 361 73 362 217 147 271 103 169 319 129 243 218 191 331 219 74 272 204 205 230 0.820 27.48 -6.8 83 81 92 96 437 16.8 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN TAB_REP6-N1070 Sucrose 27.4203 2621.3 5.8 scans 40% 305 m/z (363) 0.011% 10.6% 2028 0.2 882 1852271 30302644 30158493 1-0 20: 305 291 321 317 318 199 304 265 464 277 249 467 263 261 465 343 481 393 405 266 0.844 27.41 1.2 90 96 78 94 451 13.4 0.000 0.010 G:\GCMS data\Nicotiana Panel polar\N506_REP3.FIN GUA35_L1-N1020 Galactinol 30.5053 2967.6 3.0 scans 88% 204 m/z 3.0% 0.0338% 2321 0.9 67 7319 0.0929% 96544 85384 265258 3-4 15: 204 217 205 73 191 361 147 103 218 129 433 206 306 641 319 0.989 30.55 -4.8 92 92 89 92 641 7.6 1.283 -0.040 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN EXBLK5S-N1006 Contamination 6.6118 1062.5 2.6 scans 69% 207 m/z 0.69% 0.0855% 50 1.4 131 34949 0.254% 314840 248194 935251 8-5 17: 207 73 295 208 209 191 296 297 279 189 193 192 263 247 177 210 280 0.973 6.63 -0.8 99 99 95 99 295 40.1 9.313 -0.013 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8191 1074.8 >7 scans 50% 147 m/z 3.5% 0.0419% 70 0.5 67 6775 0.159% 154558 153295 585452 0-2 5: 147 117 73 190 191 0.951 6.82 -0.1 91 89 85 98 295 2.9 0.000 -0.002 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1194 Alanine 7.4336 1111.2 9.0 scans 64% 73 m/z 2.0% 0.0749% 128 0.8 79 11996 0.277% 276064 263081 1019939 6-0 6: 73 146 147 249 85 100 0.923 7.40 1.7 90 90 86 92 283 0.0 0.000 0.030 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9187 1140.0 2.8 scans 78% 156 m/z 1.6% 0.0375% 174 1.2 91 14550 0.0499% 138267 129375 183736 1-2 9: 156 75 55 157 54 158 61 76 74 0.985 7.96 -2.2 99 99 97 99 156 49.5 29.480 -0.038 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1192 Contamination 8.0007 1144.9 2.7 scans 75% 73 m/z 3.0% 0.0265% 182 1.1 81 8011 0.0554% 97879 97378 203988 1-0 16: 73 147 133 220 235 148 86 89 146 72 59 100 103 74 160 131 0.984 7.99 0.7 96 96 94 96 235 15.1 3.450 0.012 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1188 Contamination 8.3806 1167.4 4.4 scans 82% TIC 2.0% 0.0570% 218 2.3 89 11869 0.122% 210010 191921 449215 5-0 0.984 8.41 -2.0 99 98 84 99 369 25.2 8.023 -0.034 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1190 Contamination 8.4932 1174.0 3.3 scans 61% 73 m/z 4.0% 0.0170% 229 1.5 60 5971 0.0447% 62928 62928 164589 0-0 11: 73 140 211 198 77 70 186 126 69 74 215 0.979 8.48 0.5 93 93 88 93 309 6.2 1.086 0.009 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1186 Phosphate 8.5532 1177.6 2.5 scans 60% 241 m/z 1.9% 0.0233% 234 1.2 73 12100 85953 83152 1-1 8: 241 242 243 163 256 133 195 135 0.777 8.56 -0.4 87 85 77 97 299 0.0 0.000 -0.008 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1184 Valine 9.1750 1214.3 3.6 scans 62% 144 m/z 3.0% 0.0181% 294 0.6 52 7836 66715 60466 6-2 3: 144 218 145 0.949 9.19 -0.7 94 95 85 94 218 15.9 9.304 -0.013 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1180 Benzoic acid 9.7400 1247.3 3.1 scans 56% 179 m/z 2.2% 0.0421% 347 1.1 87 10679 155240 141751 2-3 10: 179 105 135 77 180 51 194 136 181 106 0.697 9.76 -1.2 93 91 87 97 194 12.2 1.943 -0.019 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1178 Ethanolamine 9.9989 1262.5 3.8 scans 75% 174 m/z 1.3% 0.0509% 372 1.0 86 17550 0.107% 187479 168430 393984 2-0 8: 174 175 86 100 176 59 262 130 0.957 10.03 -2.0 98 98 93 98 262 9.7 1.277 -0.035 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN VEN77_S6-N1002 Glycerol 10.1009 1268.5 3.4 scans 97% TIC 0.010% 5.91% 382 0.4 1005 2303686 21764407 21642584 0-1 0.998 10.09 0.5 100 98 95 99 299 622.4 38.581 0.007 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2430 1276.8 2.5 scans 87% 73 m/z 0.82% 0.0562% 395 1.2 119 29410 207267 206271 0-1 19: 73 198 77 211 199 70 74 289 239 381 72 212 143 56 170 200 92 142 63 0.994 10.24 0.2 96 95 95 96 381 13.2 1.223 0.003 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1176 Isoleucine 10.4303 1287.7 2.8 scans 71% 158 m/z 1.8% 0.0361% 413 1.1 89 13313 0.0738% 133100 130317 271738 1-0 7: 158 218 232 160 217 100 220 0.979 10.46 -1.7 87 83 83 94 260 6.2 0.485 -0.029 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1012 Proline 10.5176 1292.8 3.0 scans 92% TIC 0.11% 0.361% 421 0.8 277 216547 4.49% 1330980 1330980 16532585 0-0 0.990 10.53 -1.0 99 98 98 100 216 50.1 3.269 -0.015 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1014 Maleic acid 10.6018 1297.8 2.7 scans 96% TIC 0.054% 0.893% 429 0.9 456 443484 4.59% 3291636 3282680 16900794 0-1 1.000 10.60 -0.0 99 98 98 99 245 106.7 5.497 -0.000 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1170 Glycine 10.6555 1300.9 >3 scans 40% TIC 2.7% 0.00517% 434 1.3 62 8721 1.97% 19055 19055 7253718 0-0 0.975 10.69 -1.9 90 90 82 91 276 11.0 3.086 -0.032 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7480 1306.5 3.2 scans 94% 147 m/z 0.021% 3.00% 443 1.0 715 1114887 11060217 10600172 1-1 20: 147 73 251 76 148 149 58 132 74 252 133 177 150 176 118 59 253 62 134 117 0.975 10.76 -0.6 99 97 97 99 251 166.5 5.444 -0.010 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN WTF2-N1022 Succinic acid 10.7807 1308.5 2.1 scans 55% 247 m/z (250) 0.17% 0.241% 446 1.2 258 140306 0.270% 890711 890711 994164 0-0 9: 247 129 55 172 173 218 262 143 203 0.984 10.27 30.0 84 82 84 99 247 62.7 5.903 0.508 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1168 Glyceric acid 11.0174 1322.7 2.6 scans 96% 73 m/z 0.21% 0.406% 469 1.0 304 112466 1497960 1464456 1-1 20: 73 147 292 189 133 103 205 293 117 102 190 148 307 75 294 74 149 101 59 191 0.998 11.05 -2.2 100 99 99 100 292 90.5 8.871 -0.037 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0774 1326.3 2.6 scans 60% 184 m/z 7.1% 0.0118% 474 1.3 53 3372 0.0179% 43775 43135 65909 1-0 7: 184 134 285 174 86 77 286 0.953 11.06 0.8 95 96 86 96 285 16.8 10.180 0.014 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1018 Uracil 11.1374 1329.9 2.5 scans 69% 241 m/z 4.7% 0.0155% 480 1.2 61 5047 0.0168% 57432 57432 61859 0-0 8: 241 256 255 99 242 113 100 126 0.961 11.15 -0.7 95 93 84 100 256 19.4 9.972 -0.011 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1164 Itaconic acid 11.2173 1334.8 2.6 scans 87% 147 m/z 0.77% 0.0760% 488 1.0 130 31191 279996 272004 1-1 20: 147 73 75 148 259 215 149 97 67 133 230 74 68 260 141 83 216 98 166 187 0.982 11.25 -2.1 94 92 94 96 259 25.4 3.805 -0.035 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1162 Fumaric acid 11.3667 1343.8 2.4 scans 98% 245 m/z 0.052% 0.982% 502 0.7 491 462119 3618785 3616219 1-0 20: 245 147 73 246 75 143 247 83 133 148 149 115 155 74 84 53 157 58 59 61 0.997 11.39 -1.5 100 99 99 100 245 278.8 32.276 -0.026 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4572 1349.2 3.1 scans 80% 57 m/z 1.2% 0.0592% 510 1.3 104 20071 0.141% 218028 204559 519175 2-0 16: 57 97 145 115 127 55 69 129 56 111 59 109 83 98 71 146 0.990 11.45 0.7 91 87 93 97 145 29.5 8.030 0.011 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1160 Serine 11.5056 1352.1 2.7 scans 93% TIC 0.45% 0.191% 515 1.0 204 52968 1.19% 704271 674899 4381687 0-1 0.993 11.56 -3.1 99 98 96 99 306 20.1 0.974 -0.051 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1022 Thymine 11.5909 1357.2 2.8 scans 45% 255 m/z 8.4% 0.00412% 523 1.3 30 2871 15188 15188 0-0 3: 255 270 256 1.000 11.60 -0.6 95 96 76 96 270 11.8 15.581 -0.008 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN BRA4_R~2-N1008 Thymine 11.5940 1357.4 4.9 scans 44% TIC 9.7% 0.00345% 523 2.7 30 2479 0.607% 12718 12718 2235029 0-0 0.885 11.58 0.6 95 96 83 99 270 10.9 13.553 0.010 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1024 Threonine 11.9149 1376.8 2.6 scans 92% 73 m/z 0.63% 0.142% 554 1.0 181 37938 0.144% 525244 476494 530221 6-4 20: 73 218 219 117 291 292 147 101 220 57 100 128 74 75 133 293 132 203 59 129 0.997 11.92 -0.3 100 99 98 99 320 16.5 0.831 -0.006 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN MESACO~1-N1064 Mesaconic acid 2TMS STD 12.1559 1391.3 2.5 scans 56% 259 m/z (239) 8.2% 0.0136% 577 1.0 55 2934 50261 47264 1-1 5: 259 184 260 185 67 0.977 12.19 -1.8 86 89 79 89 259 21.5 15.566 -0.031 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2775 1461.5 4.2 scans 81% TIC 0.97% 0.107% 683 1.8 131 24681 0.250% 397267 391710 920523 0-1 0.982 13.31 -1.8 98 98 95 98 349 14.7 1.276 -0.028 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1148 Glutamine?? 13.3028 1463.1 2.6 scans 66% 155 m/z (247) 1.4% 0.0376% 686 1.0 87 16619 138651 118904 8-1 5: 155 156 139 229 100 0.984 13.35 -2.8 92 93 91 95 257 6.5 0.563 -0.044 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1146 Malic acid 13.5900 1481.2 5.2 scans 100% 73 m/z 0.010% 15.0% 713 0.3 1337 2220441 55556608 55330015 1-0 20: 73 148 75 74 149 101 55 171 117 72 59 247 134 176 135 61 119 204 219 58 1.000 13.62 -1.6 100 100 100 100 350 37.2 0.078 -0.027 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1142 Erythritol/Threitol 13.7142 1489.0 2.5 scans 85% 73 m/z 1.3% 0.0551% 725 1.0 123 17992 10.0% 203125 201730 36820902 1-1 20: 73 217 147 205 103 204 117 307 191 189 206 133 218 74 148 245 219 293 129 309 0.995 13.89 -11.1 95 93 94 97 320 9.5 0.599 -0.176 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7668 1492.3 >3 scans 38% TIC 16% 0.00185% 730 1.1 37 1458 5.98% 6843 6843 22018899 0-0 0.831 13.81 -2.5 84 88 70 87 243 13.9 13.739 -0.039 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1140 Aspartic acid 14.0267 1509.1 2.5 scans 26% 232 m/z (156) 0.46% 0.100% 755 1.3 145 51798 371199 336878 1-2 16: 232 233 100 218 202 234 188 306 219 216 334 292 204 221 220 235 0.725 14.09 -4.0 90 94 52 94 349 10.4 0.514 -0.060 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0267 1509.1 2.5 scans 25% 232 m/z 0.46% 0.0954% 755 1.3 144 51610 351629 319118 1-2 16: 232 233 100 218 202 234 188 306 219 216 334 292 204 221 220 235 0.982 14.02 0.6 90 88 82 94 258 6.4 0.000 0.010 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0540 1510.9 3.7 scans 92% TIC 0.077% 0.898% 757 0.5 382 310199 3307207 3221704 1-1 0.992 14.11 -3.8 99 97 97 99 273 15.8 0.171 -0.056 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1032 GABA 14.1929 1520.2 2.7 scans 93% 174 m/z 0.13% 0.542% 770 1.0 339 181047 0.577% 1997834 1931995 2124566 0-2 20: 174 304 73 147 175 305 176 75 86 216 246 306 59 143 172 100 133 130 148 74 0.999 14.19 0.4 100 99 98 99 304 105.6 9.692 0.005 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3613 1531.3 2.8 scans 75% 73 m/z (239) 1.3% 0.0846% 786 1.1 118 17754 0.562% 311744 266124 2069335 5-2 20: 73 292 147 220 293 205 294 217 221 148 102 291 74 133 143 409 206 130 222 218 0.989 14.69 -21.9 93 94 92 96 409 9.7 0.675 -0.331 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6085 1547.7 2.6 scans 90% TIC 0.67% 0.118% 810 1.4 166 35733 436019 412672 0-1 0.990 14.62 -0.9 98 96 96 98 409 13.6 0.666 -0.012 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3798 1598.9 2.6 scans 54% 217 m/z 3.2% 0.0138% 883 1.0 58 7369 0.0197% 51169 51169 72537 0-0 4: 217 218 219 103 0.879 15.44 -4.1 85 87 80 88 393 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1120 Glutamic acid 15.5029 1607.4 2.4 scans 78% 246 m/z 2.0% 0.0292% 895 0.9 85 11818 107593 105983 0-1 11: 246 247 128 348 156 248 230 84 100 56 363 0.991 15.56 -3.9 96 95 90 95 363 8.6 1.023 -0.057 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1118 Phenylalanine 15.6060 1614.5 2.7 scans 75% 218 m/z (267) 2.9% 0.0366% 905 1.0 88 8328 134983 124576 1-2 6: 218 192 100 219 220 266 0.986 15.66 -3.7 94 95 93 98 294 5.3 0.364 -0.053 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1040 Xylose 16.0048 1642.2 2.6 scans 81% 73 m/z 1.3% 0.0594% 943 1.1 117 17449 219063 218481 0-1 19: 73 103 217 307 147 204 201 189 205 277 308 74 133 160 89 104 148 131 256 0.961 16.00 0.1 94 93 93 94 307 26.6 5.204 0.001 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1042 Ribose 16.1027 1649.0 2.5 scans 82% TIC 1.5% 0.0432% 952 0.7 105 15371 0.362% 159183 159183 1332917 0-0 0.989 16.10 0.0 95 94 95 97 307 30.1 8.205 -0.000 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1108 Ribose 16.3173 1663.9 2.7 scans 87% TIC 0.75% 0.137% 972 0.8 160 32170 0.294% 505841 464327 1082535 3-3 0.992 16.38 -4.0 93 91 92 96 467 3.7 0.054 -0.058 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6140 1684.5 2.7 scans 95% 73 m/z 0.44% 0.231% 1001 1.2 224 54337 0.270% 853661 853661 994164 0-0 20: 73 319 307 147 217 103 308 320 205 129 306 309 321 218 74 117 148 277 133 229 0.998 16.68 -4.3 100 98 98 99 497 6.0 0.072 -0.062 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9244 1706.4 2.7 scans 78% 73 m/z 1.6% 0.0471% 1030 1.2 114 14426 0.762% 173432 173432 2805753 0-0 20: 73 217 205 147 103 307 319 218 320 189 246 129 204 243 308 206 148 277 133 74 0.980 16.99 -4.7 95 94 93 96 422 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9970 1711.7 2.7 scans 92% TIC 0.53% 0.180% 1037 1.0 204 45514 1.09% 664665 650394 4013478 0-2 0.995 17.06 -4.8 92 92 94 92 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1096 Putrescine 17.1875 1725.6 2.7 scans 47% 174 m/z 1.2% 0.0245% 1055 1.2 74 18891 90563 89795 0-1 7: 174 214 200 176 172 86 100 0.982 17.25 -4.4 92 92 88 93 458 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1094 cis-Aconitic acid 17.3022 1734.0 2.5 scans 70% 73 m/z 3.3% 0.0178% 1066 1.2 69 7166 65878 65090 0-1 11: 73 147 229 375 285 215 230 376 149 211 67 0.951 17.36 -4.3 91 91 87 92 436 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5673 1753.3 2.6 scans 92% 217 m/z 0.15% 0.425% 1091 1.0 307 157584 0.521% 1565156 1407255 1918369 5-2 20: 217 73 218 147 450 219 74 305 232 191 257 133 451 148 75 129 452 149 169 131 1.000 17.63 -4.7 96 94 96 97 450 50.0 2.648 -0.065 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6957 1762.7 3.5 scans 83% TIC 0.76% 0.177% 1103 0.5 168 31426 0.947% 654305 653582 3486939 1-0 0.959 17.70 -0.2 98 98 96 98 375 18.3 1.188 -0.003 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1086 Fructofuranose 18.0629 1789.5 2.7 scans 79% 217 m/z 1.0% 0.0798% 1138 1.3 130 22143 0.710% 293946 270815 2614284 2-0 18: 217 73 437 218 438 147 439 219 257 74 230 303 103 215 291 435 149 148 0.985 18.13 -5.1 92 91 89 93 437 38.5 8.732 -0.071 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1046 Shikimic acid 18.1281 1794.2 2.6 scans 77% 204 m/z 0.33% 0.197% 1144 0.9 203 72482 727440 683951 5-2 13: 204 205 206 255 357 254 372 462 447 358 282 331 167 0.989 18.13 0.2 94 93 92 96 372 24.9 1.502 0.003 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1082 Citric acid 18.2544 1803.6 2.8 scans 93% TIC 0.10% 1.16% 1156 0.9 486 223077 1.20% 4296339 4142825 4418508 1-2 0.972 18.32 -5.1 99 97 97 99 465 74.9 2.382 -0.067 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5690 1827.6 4.0 scans 54% 217 m/z 3.5% 0.0206% 1187 1.5 65 6755 0.0252% 76117 69913 92789 0-1 4: 217 73 218 219 0.835 18.67 -7.7 82 84 75 83 319 16.5 0.000 -0.100 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1076 Pregnane?? 18.7900 1844.5 2.8 scans 97% 345 m/z 0.019% 4.47% 1207 0.6 961 1219251 16485618 16143465 0-1 20: 345 73 346 255 147 347 334 204 256 191 435 419 372 133 257 148 239 74 348 75 1.000 18.86 -5.2 100 100 99 100 537 75.0 0.612 -0.068 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1074 Adenine 18.8773 1851.1 3.1 scans 30% 264 m/z 1.8% 0.0253% 1216 1.5 68 12824 0.0635% 93467 93467 233813 0-0 5: 264 265 279 266 280 0.971 18.94 -4.8 88 85 84 95 415 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1072 Fructose 18.9573 1857.2 2.7 scans 96% 73 m/z 0.038% 2.89% 1223 0.8 777 627924 10662558 9807327 4-1 20: 73 307 217 103 147 308 277 218 133 309 364 74 189 117 205 219 104 89 148 75 1.000 19.03 -5.8 100 98 99 99 364 85.6 1.221 -0.076 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1052 Fructose 19.0793 1866.5 2.7 scans 96% 73 m/z 0.048% 2.38% 1235 0.7 692 493034 8795929 8162912 2-4 20: 73 217 307 103 147 308 218 277 364 309 74 205 89 262 133 117 148 104 189 219 0.999 19.10 -1.9 100 99 100 99 364 78.7 1.295 -0.025 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1056 Glucose 19.1330 1870.6 >3 scans 51% TIC 2.9% 0.0169% 1240 1.9 91 8134 6.83% 62406 62406 25148676 0-0 0.976 19.33 -15.2 82 80 79 85 364 6.3 0.477 -0.199 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1054 Galactose 19.1951 1875.4 3.0 scans 59% 319 m/z (204) 1.6% 0.0655% 1246 1.0 120 14927 8.34% 241200 241200 30708632 0-0 7: 319 160 320 321 229 161 322 0.994 19.22 -1.6 88 89 90 94 376 0.0 0.000 -0.021 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1066 Glucose 19.1951 1875.4 3.0 scans 34% 319 m/z (306) 2.1% 0.0383% 1246 1.0 91 11395 4.88% 141170 141170 17968600 0-0 7: 319 160 320 321 229 161 322 0.958 19.40 -15.5 81 82 66 87 319 43.8 22.924 -0.204 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1068 Galactopyranose 19.2203 1877.3 2.6 scans 84% 204 m/z (319) 0.36% 0.206% 1248 1.1 209 67098 0.915% 761657 743583 3369113 4-0 8: 204 191 192 129 193 435 203 345 0.997 19.32 -7.2 95 96 94 98 435 15.7 0.559 -0.095 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1064 Mannose 19.2971 1883.2 3.1 scans 97% 319 m/z 0.019% 6.95% 1256 0.5 1143 1221928 7.14% 25597811 24344627 26290124 1-1 20: 319 73 205 147 320 160 217 321 103 206 117 229 133 129 157 74 148 204 189 207 0.998 19.45 -12.0 100 99 99 100 319 453.3 15.790 -0.158 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1062 Glucose 19.5255 1900.6 2.9 scans 93% 73 m/z 0.077% 1.44% 1277 0.8 535 313551 5329834 5322213 1-0 20: 73 319 205 147 320 160 217 103 321 74 133 206 117 229 204 89 148 157 75 129 0.988 19.66 -10.5 99 98 97 98 319 191.7 12.886 -0.131 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1061 Lysine 19.6054 1907.0 2.7 scans 34% 317 m/z 10% 0.00921% 1285 1.0 45 2329 33942 33942 1-0 6: 317 174 156 318 230 128 0.839 19.61 -0.6 88 92 77 93 434 5.3 1.367 -0.008 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7033 1914.9 3.2 scans 63% TIC 5.5% 0.0156% 1294 1.0 68 4316 0.112% 57604 52114 412394 1-0 0.974 19.79 -7.0 85 84 79 88 434 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN N406_R~2-N1016 Galacturonic acid 19.7559 1919.1 2.8 scans 25% 333 m/z 7.0% 0.00549% 1299 1.2 34 3424 20246 20246 0-1 4: 333 160 334 335 0.856 19.79 -3.0 82 84 77 86 423 0.0 0.000 -0.037 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2841 1961.6 2.9 scans 68% 73 m/z (204) 0.20% 0.441% 1349 1.2 294 120771 1626185 1560524 1-1 20: 73 147 217 218 189 74 133 129 148 75 117 149 435 131 407 319 207 72 306 331 0.967 20.30 -0.9 95 97 92 96 433 28.3 0.924 -0.012 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2841 1961.6 2.9 scans 78% 73 m/z (394) 0.19% 0.511% 1349 1.2 317 124372 1881751 1805771 1-1 20: 73 147 217 218 189 74 133 129 148 75 117 149 435 131 407 319 207 72 306 331 0.985 20.41 -10.4 92 93 92 94 217 80.9 6.523 -0.130 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1054 Gluconic acid 3 20.4577 1975.5 2.8 scans 84% 73 m/z 1.6% 0.0544% 1366 1.3 114 14554 0.112% 200371 192934 412394 1-0 20: 73 147 319 205 292 204 214 346 217 320 189 321 142 293 305 359 206 307 117 215 0.996 20.55 -7.4 82 81 85 84 613 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1050 Gluconic acid 20.5556 1983.4 3.1 scans 58% TIC 5.6% 0.0114% 1375 1.0 60 4270 0.117% 42176 42176 430805 0-0 0.917 20.65 -7.5 86 87 78 86 613 0.0 0.000 -0.092 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1048 Galactaric acid 21.0733 2026.2 2.8 scans 74% 333 m/z 4.5% 0.0156% 1424 1.0 59 5254 0.0229% 57471 56244 84320 0-1 7: 333 73 292 334 335 293 305 0.968 21.15 -6.5 88 89 83 88 627 3.4 0.322 -0.078 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN WTF2-N1038 C16:0 21.1353 2031.4 2.7 scans 86% 313 m/z 2.6% 0.0485% 1430 1.7 97 9139 178704 173448 0-6 17: 313 117 314 132 129 145 55 328 57 131 69 315 118 83 201 285 76 0.995 20.62 43.1 88 92 91 95 328 10.9 1.255 0.518 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6772 2076.9 3.1 scans 96% 305 m/z 0.016% 10.2% 1482 0.5 1384 1472637 37757170 34628639 1-1 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 320 433 129 133 367 148 192 0.998 21.75 -6.0 100 100 100 100 507 112.2 0.660 -0.072 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8645 2092.6 3.2 scans 97% 319 m/z 0.064% 2.11% 1500 0.8 608 373356 7787545 7470748 1-3 20: 319 73 205 147 320 217 321 103 262 206 204 117 74 229 157 148 129 89 263 376 0.999 21.93 -5.5 95 92 96 99 656 15.0 0.061 -0.065 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1833 2120.2 2.6 scans 92% 396 m/z 0.24% 0.373% 1530 1.0 294 98741 1373967 1329667 1-1 20: 396 219 73 397 381 398 220 191 307 382 293 249 74 75 399 308 221 383 192 267 0.978 22.19 -0.3 98 98 95 99 396 128.9 19.203 -0.003 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6736 2163.0 3.7 scans 80% 204 m/z 2.1% 0.0376% 1577 1.0 76 11274 0.0452% 138460 124781 166430 2-2 10: 204 73 205 145 361 117 263 206 362 191 0.993 22.71 -3.5 91 91 91 91 518 0.0 0.000 -0.040 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN WTF2-N1036 C18:0 23.3976 2227.5 4.0 scans 81% TIC 5.0% 0.0317% 1645 0.9 69 4761 0.0918% 116813 116813 338016 0-0 0.976 22.89 45.7 86 93 85 93 356 9.7 1.973 0.509 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6507 2343.7 3.2 scans 96% TIC 0.26% 0.653% 1764 0.6 317 92388 2405790 2399022 1-0 0.998 24.65 0.1 99 97 98 100 466 19.0 0.357 0.001 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7496 2353.1 2.8 scans 83% 73 m/z 5.0% 0.0237% 1774 0.8 69 4808 0.390% 87616 83788 1436015 0-6 12: 73 217 204 292 375 147 305 103 219 451 218 205 0.993 24.81 -5.3 86 86 83 86 451 8.3 1.448 -0.055 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5321 2528.8 2.7 scans 92% 512 m/z 2.3% 0.0547% 1943 1.0 111 10396 0.0596% 201611 198197 219453 1-1 20: 512 455 73 247 513 456 57 514 483 263 457 219 497 204 349 248 409 74 191 207 0.994 26.57 -4.3 96 96 88 96 512 41.0 13.631 -0.041 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN WTF2-N1032 Sucrose 26.6488 2540.9 2.8 scans 68% 361 m/z 14% 0.00707% 1954 1.4 40 1673 26062 23940 1-0 6: 361 437 73 217 273 362 0.981 26.87 -22.8 83 86 75 86 451 5.5 1.896 -0.221 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1018 Sucrose 27.4064 2619.8 5.6 scans 37% 362 m/z (361) 0.010% 8.11% 2026 0.2 941 2346063 29867413 28815331 1-1 20: 362 437 363 451 438 364 439 452 453 450 333 347 241 232 246 193 441 322 222 156 0.942 27.47 -6.7 81 83 51 82 437 304.3 10.546 -0.064 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1014 Sucrose 27.4064 2619.8 5.6 scans 93% 362 m/z 0.0078% 19.6% 2026 0.2 1479 3078641 72173836 69631506 1-1 20: 362 437 363 451 438 364 439 452 453 450 333 347 241 232 246 193 441 322 222 156 0.999 27.49 -8.9 100 100 99 100 437 302.9 4.228 -0.084 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1010 Sucrose 27.4117 2620.3 5.6 scans 97% TIC 0.0076% 20.7% 2027 0.2 1531 3169676 76558591 75893933 1-0 1.000 27.58 -17.9 100 99 98 99 437 304.3 3.979 -0.167 G:\GCMS data\Nicotiana Panel polar\N506_REP4.FIN LQC1-N1016 Sucrose 27.4127 2620.5 5.5 scans 53% 361 m/z (362) 0.016% 11.2% 2027 0.2 1131 1431807 41592960 41145013 1-0 20: 361 73 217 147 271 103 169 218 243 129 319 191 331 74 219 272 189 320 205 204 0.852 27.48 -6.8 83 82 92 95 437 17.4 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN EXBLK5S-N1006 Contamination 6.3910 1049.4 3.3 scans 57% 207 m/z 1.3% 0.0614% 29 1.4 85 17440 262083 166253 10-8 11: 207 295 208 209 191 296 297 279 193 192 189 0.966 6.63 -13.9 97 97 89 97 295 28.0 10.842 -0.234 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN A-KETO~2-N1006 Contamination?? 7.9945 1144.5 2.8 scans 77% 156 m/z 1.7% 0.0359% 181 1.2 89 14076 0.0508% 153265 137749 216512 7-2 11: 156 75 55 157 61 54 76 74 59 158 82 0.983 7.96 2.3 98 98 96 99 156 46.5 27.246 0.038 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1192 Contamination 8.0745 1149.2 2.8 scans 62% TIC 4.3% 0.0108% 189 1.6 60 5521 0.0656% 46308 46308 279590 0-0 0.935 7.99 5.0 93 95 88 94 235 12.3 4.138 0.086 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1188 Contamination 8.3912 1168.0 5.1 scans 87% 281 m/z 1.2% 0.109% 219 2.0 113 20087 0.119% 466992 409188 507183 7-1 18: 281 73 147 369 282 283 370 265 249 371 207 251 191 148 267 74 193 208 0.992 8.41 -1.4 99 98 84 99 369 32.4 8.267 -0.024 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1186 Phosphate 8.6090 1180.9 2.5 scans 58% 241 m/z 2.3% 0.0196% 240 1.0 70 10259 83846 83621 1-0 10: 241 242 211 256 163 133 243 195 135 169 0.883 8.56 2.9 93 93 82 96 299 0.0 0.000 0.048 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1184 Valine 9.2203 1216.9 5.0 scans 61% TIC 4.3% 0.00876% 298 0.4 44 5612 0.0570% 37374 37374 242937 0-0 0.957 9.19 1.9 93 93 83 93 218 14.1 10.362 0.032 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1180 Benzoic acid 9.7812 1249.7 3.1 scans 66% 179 m/z 2.7% 0.0265% 351 0.7 69 8799 113349 111868 3-0 9: 179 105 135 77 180 136 194 106 181 0.986 9.76 1.2 97 96 91 97 194 10.9 2.523 0.022 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1178 Ethanolamine 10.0105 1263.2 5.1 scans 77% TIC 2.1% 0.0353% 373 0.9 70 11253 5.06% 150458 141731 21565947 1-0 0.992 10.03 -1.3 95 94 91 96 262 7.4 1.110 -0.023 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN VEN77_S6-N1002 Glycerol 10.1337 1270.4 4.0 scans 98% 299 m/z 0.0096% 6.27% 385 0.5 1009 2498654 26751000 26592552 1-0 20: 299 300 73 314 301 133 283 211 315 207 193 147 191 316 135 302 225 205 74 298 1.000 10.09 2.4 100 98 95 99 299 619.9 37.957 0.040 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2694 1278.3 2.9 scans 59% 73 m/z 4.2% 0.00978% 397 0.9 48 5710 41712 41712 0-0 4: 73 198 211 77 0.965 10.24 1.7 81 79 77 87 381 3.6 0.551 0.029 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1176 Isoleucine 10.4577 1289.3 3.4 scans 57% 158 m/z 2.3% 0.0258% 415 0.7 68 10130 0.0295% 110072 106420 125730 1-2 5: 158 218 159 160 232 0.960 10.46 -0.1 91 89 87 96 260 5.5 0.656 -0.001 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1012 Proline 10.5440 1294.4 4.0 scans 82% TIC 0.30% 0.140% 424 0.5 163 80317 3.45% 599456 599456 14704055 0-0 0.986 10.53 0.6 98 97 98 99 216 29.1 3.173 0.011 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1174 Proline 10.5461 1294.5 3.2 scans 87% 142 m/z 0.28% 0.142% 424 0.6 169 86245 1.09% 606990 606990 4645629 0-0 17: 142 73 143 216 144 72 59 74 66 217 70 101 68 131 140 133 55 0.985 10.55 0.1 98 97 96 99 142 115.2 46.642 0.001 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6292 1299.4 2.7 scans 96% 147 m/z 0.063% 0.728% 432 0.7 410 380393 3.19% 3105288 3040282 13595923 2-1 20: 147 73 245 148 75 83 149 133 74 246 143 115 84 59 170 58 215 126 72 66 0.999 10.60 1.6 98 97 98 99 245 93.3 5.194 0.027 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1170 Glycine 10.6850 1302.7 >2 scans 32% TIC 4.4% 0.00301% 437 0.8 52 5412 1.37% 12852 12852 5839001 0-0 0.956 10.69 -0.1 87 87 81 89 276 8.1 2.435 -0.002 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7765 1308.2 3.1 scans 94% TIC 0.018% 2.88% 446 0.8 734 1277167 12301518 11463560 1-1 0.975 10.76 1.1 99 97 98 100 251 170.3 5.397 0.019 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1168 Glyceric acid 11.0354 1323.8 2.5 scans 96% 73 m/z 0.18% 0.386% 470 1.0 305 127424 0.391% 1647547 1579336 1666460 1-1 20: 73 147 292 189 133 103 205 293 117 148 102 190 75 74 307 294 59 191 149 101 0.999 11.05 -1.1 100 99 99 100 292 88.6 8.448 -0.019 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.1038 1327.9 2.5 scans 82% 184 m/z 2.8% 0.0315% 477 1.0 91 8598 0.0517% 134450 133532 220348 1-1 18: 184 285 134 174 86 77 100 286 227 59 185 130 135 172 186 287 110 178 0.990 11.06 2.4 98 97 97 99 285 27.2 8.879 0.041 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1018 Uracil 11.1585 1331.2 2.4 scans 58% 241 m/z 6.3% 0.00796% 482 1.1 46 3785 0.00877% 33961 33961 37378 0-0 6: 241 99 255 256 242 113 0.907 11.15 0.6 94 95 89 99 256 15.4 11.126 0.010 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1164 Itaconic acid 11.2353 1335.8 2.6 scans 87% 147 m/z 0.98% 0.0520% 489 1.1 111 24659 0.0535% 222043 215074 228019 3-0 19: 147 73 259 148 215 149 97 230 67 68 74 141 133 98 83 61 59 72 216 0.972 11.25 -1.1 94 92 93 97 259 21.6 3.816 -0.017 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1162 Fumaric acid 11.3826 1344.7 2.6 scans 96% 245 m/z 0.077% 0.678% 503 0.8 400 313973 2891042 2737647 2-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 155 74 84 53 59 61 157 58 1.000 11.39 -0.6 100 99 98 100 245 219.7 30.271 -0.010 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4741 1350.2 >4 scans 83% TIC 1.5% 0.0420% 512 1.0 93 15788 0.788% 179282 179282 3358491 0-0 0.996 11.45 1.7 91 87 95 99 145 24.6 6.977 0.028 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1160 Serine 11.5215 1353.1 2.8 scans 88% TIC 0.55% 0.159% 517 1.0 181 43379 0.834% 681295 607723 3554545 0-2 0.961 11.56 -2.1 98 97 93 98 306 17.7 0.949 -0.035 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN BRA4_R~2-N1008 Thymine 11.6057 1358.1 2.9 scans 36% 255 m/z 12% 0.00244% 525 0.9 23 1972 10424 10424 0-0 3: 255 270 256 0.976 11.58 1.3 93 96 78 95 270 9.4 17.031 0.022 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1024 Threonine 11.9266 1377.5 2.5 scans 94% TIC 0.57% 0.125% 555 1.1 176 41715 0.135% 533544 501878 575376 5-1 0.997 11.92 0.4 100 99 98 99 320 16.0 0.832 0.006 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN MESACO~1-N1064 Mesaconic acid 2TMS STD 12.1675 1392.0 >6 scans 43% TIC 9.0% 0.00234% 578 0.9 41 2669 0.0319% 9979 9979 135959 0-0 0.905 12.19 -1.1 83 85 66 85 259 16.0 15.455 -0.019 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2839 1461.9 2.8 scans 90% TIC 0.76% 0.0965% 684 1.6 145 31688 0.172% 411316 410325 733072 0-1 0.994 13.31 -1.4 99 98 97 98 349 16.1 1.222 -0.022 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1146 Malic acid 13.6091 1482.4 6.3 scans 100% 73 m/z 0.0092% 17.6% 715 0.2 1367 2614559 75092683 75042878 1-0 20: 73 148 75 149 74 101 55 72 235 59 117 247 192 134 176 337 135 129 61 119 1.000 13.62 -0.4 100 100 100 100 350 37.0 0.073 -0.008 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1142 Erythritol/Threitol 13.7185 1489.3 2.6 scans 85% 73 m/z 1.2% 0.0532% 725 1.1 116 18713 10.9% 226839 219197 46456289 0-1 20: 73 217 147 205 103 204 117 307 191 218 189 133 293 206 148 116 74 219 131 320 0.984 13.89 -10.8 97 96 94 98 320 8.9 0.585 -0.172 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0321 1509.5 2.4 scans 35% 232 m/z 0.45% 0.0724% 755 1.5 134 52989 308635 307948 0-1 14: 232 233 218 234 202 188 216 306 219 292 334 220 203 235 0.932 14.02 1.0 93 94 83 96 258 4.8 0.000 0.015 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0689 1511.9 3.2 scans 95% TIC 0.069% 0.873% 759 0.5 391 349064 3724279 3710548 1-0 0.994 14.11 -2.8 98 96 97 99 273 16.6 0.180 -0.041 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1032 GABA 14.1994 1520.6 2.6 scans 94% TIC 0.14% 0.433% 771 1.1 318 165620 0.616% 1845475 1757225 2625420 0-7 1.000 14.19 0.8 100 99 98 99 304 95.4 8.975 0.011 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6097 1547.8 2.5 scans 88% 73 m/z 0.74% 0.0815% 810 1.2 146 32580 0.151% 347657 322467 643569 0-2 18: 73 292 147 220 205 293 117 103 294 221 148 319 74 133 102 291 206 149 0.993 14.69 -5.4 97 96 94 97 409 10.1 0.483 -0.082 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6097 1547.8 2.5 scans 89% TIC 0.72% 0.0887% 810 1.4 147 33302 378057 337546 0-2 0.994 14.62 -0.8 98 96 95 98 409 10.1 0.476 -0.011 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3789 1598.8 2.6 scans 64% 217 m/z 2.8% 0.0187% 883 1.0 72 8508 0.123% 79848 79848 524232 0-0 6: 217 218 259 219 103 129 0.905 15.44 -4.2 83 83 82 84 393 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1036 Glutamic acic 15.5041 1607.4 2.6 scans 62% 246 m/z 4.4% 0.0106% 895 1.0 51 5430 45189 45189 0-0 5: 246 128 247 248 156 0.947 15.50 0.0 98 98 95 99 363 5.5 1.134 0.001 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1118 Phenylalanine 15.6093 1614.7 2.6 scans 42% 218 m/z (267) 3.0% 0.0172% 905 1.1 63 7962 73469 69335 1-2 6: 218 192 219 100 220 266 0.914 15.66 -3.5 82 83 55 88 294 4.3 0.454 -0.050 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1040 Xylose 16.0018 1642.0 2.7 scans 76% 73 m/z 1.4% 0.0482% 942 1.3 105 16510 0.0901% 205793 193187 384010 1-2 20: 73 103 217 307 147 204 117 201 189 75 205 308 160 129 74 218 133 59 131 148 0.937 16.00 -0.1 92 92 92 93 307 23.1 4.846 -0.002 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1042 Ribose 16.1028 1649.0 2.7 scans 80% 73 m/z 1.6% 0.0378% 952 0.7 97 14290 0.0727% 161455 160302 309851 1-0 19: 73 103 307 217 147 308 160 189 277 218 309 133 74 104 89 356 219 205 148 0.986 16.10 0.0 96 94 95 98 307 28.0 8.351 -0.000 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1108 Ribose 16.3153 1663.8 2.7 scans 89% TIC 0.63% 0.123% 972 0.8 162 38080 0.247% 527573 502040 1052725 2-3 0.992 16.38 -4.1 95 93 94 97 467 3.9 0.058 -0.060 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6120 1684.4 2.6 scans 94% 73 m/z 0.37% 0.219% 1000 1.3 228 64410 0.258% 937464 937464 1099608 0-0 20: 73 307 319 147 217 103 308 320 205 129 306 321 74 218 189 117 309 243 229 277 0.995 16.68 -4.4 100 98 98 99 497 6.5 0.080 -0.064 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9235 1706.3 2.6 scans 79% 73 m/z 1.5% 0.0487% 1030 0.9 115 15670 0.820% 207856 207856 3494877 0-0 20: 73 217 205 103 147 319 307 218 204 308 129 320 243 246 189 206 133 148 221 219 0.993 16.99 -4.8 95 94 93 95 422 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9971 1711.7 2.7 scans 88% 73 m/z 0.50% 0.167% 1037 1.2 198 47449 0.880% 714485 678504 3750599 1-2 20: 73 217 147 319 103 205 307 189 218 129 204 320 305 277 74 308 148 219 206 321 0.993 17.06 -4.8 93 92 94 92 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1096 Putrescine 17.1876 1725.6 2.7 scans 41% 174 m/z 1.2% 0.0205% 1055 1.2 69 18753 87429 81858 1-1 6: 174 214 86 172 200 361 0.981 17.25 -4.4 91 91 85 92 458 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1094 cis-Aconitic acid 17.3033 1734.0 2.7 scans 77% TIC 2.0% 0.0271% 1066 1.2 86 11743 115834 114330 0-1 0.978 17.36 -4.3 91 90 92 92 436 4.9 0.326 -0.059 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5674 1753.3 2.6 scans 95% TIC 0.13% 0.444% 1091 1.0 319 182276 0.699% 1894556 1750547 2979169 4-1 0.997 17.63 -4.7 96 94 95 97 450 49.5 2.401 -0.065 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6947 1762.6 2.6 scans 51% 334 m/z (319) 1.3% 0.0787% 1103 1.0 131 18480 0.0987% 335728 314258 420664 3-0 15: 334 204 256 257 335 375 255 336 258 211 285 151 267 201 376 0.949 17.70 -0.3 93 96 88 95 375 17.1 1.704 -0.004 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1086 Fructofuranose 18.0609 1789.3 2.9 scans 76% 73 m/z 1.0% 0.0677% 1138 1.3 121 24095 0.868% 288692 254181 3699455 2-0 20: 73 217 437 147 438 218 439 257 219 74 103 215 230 133 303 129 189 148 75 149 0.990 18.13 -5.3 91 89 88 93 437 33.2 7.497 -0.073 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1293 1794.3 2.6 scans 80% 204 m/z 0.35% 0.163% 1145 1.1 193 69071 697299 644565 6-2 14: 204 205 255 206 357 372 254 189 358 282 331 447 462 267 0.993 18.13 0.3 94 92 92 96 372 23.3 1.470 0.004 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1082 Citric acid 18.2587 1803.9 2.3 scans 96% 273 m/z 0.056% 1.57% 1157 0.7 641 426174 6725470 6662062 1-0 20: 273 73 147 347 375 363 274 465 275 211 75 148 149 305 364 376 221 348 133 74 0.989 18.32 -4.8 97 95 96 99 465 96.1 2.251 -0.062 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1076 Pregnane?? 18.7869 1844.2 2.6 scans 98% 345 m/z 0.021% 3.32% 1207 0.7 894 1121559 14155422 13840717 1-0 20: 345 73 346 255 147 347 334 204 191 256 435 419 133 372 74 148 257 348 75 239 0.998 18.86 -5.5 100 100 99 100 537 67.9 0.579 -0.071 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1074 Adenine 18.8785 1851.2 3.0 scans 28% 264 m/z 2.0% 0.0194% 1216 1.3 61 11608 0.0432% 82703 82703 184120 0-0 6: 264 279 265 266 192 280 0.957 18.94 -4.7 88 86 83 94 415 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1072 Fructose 18.9616 1857.6 2.7 scans 94% 73 m/z 0.030% 3.08% 1224 0.6 827 798790 13131202 11636701 4-1 20: 73 307 217 103 147 308 218 277 133 309 364 117 205 189 74 219 104 89 148 75 1.000 19.03 -5.4 100 98 99 100 364 89.9 1.186 -0.071 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1052 Fructose 19.0815 1866.7 2.9 scans 95% 73 m/z 0.041% 2.38% 1235 0.7 703 586164 10145605 9170566 2-4 20: 73 217 307 103 147 308 218 277 309 74 205 364 262 89 117 133 219 148 75 189 0.998 19.10 -1.7 100 99 99 99 364 76.3 1.182 -0.022 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN BRA4_R~2-N1004 Galactose 19.1973 1875.5 3.0 scans 100% 319 m/z (306) 0.73% 0.0947% 1246 0.9 150 32954 14.8% 403628 403628 63078263 0-0 9: 319 160 320 321 229 318 161 214 322 0.992 19.36 -12.6 81 79 84 88 364 5.0 0.113 -0.164 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1054 Galactose 19.1973 1875.5 3.0 scans 61% 319 m/z (204) 1.2% 0.0578% 1246 0.9 115 20009 9.07% 246457 246457 38656747 0-0 9: 319 160 320 321 229 318 161 214 322 0.981 19.22 -1.5 88 88 90 95 376 4.0 0.121 -0.019 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1068 Galactopyranose 19.2204 1877.3 2.6 scans 79% 204 m/z (319) 0.44% 0.148% 1248 1.2 184 54344 0.930% 631748 611588 3963702 4-0 9: 204 191 206 192 203 435 243 317 361 0.994 19.32 -7.2 94 95 93 97 435 12.9 0.491 -0.095 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1064 Mannose 19.2993 1883.3 2.8 scans 98% 319 m/z 0.016% 6.89% 1256 0.5 1218 1465508 29375612 29332033 1-0 20: 319 73 205 147 160 320 217 321 103 206 117 229 129 157 133 74 148 189 204 161 0.998 19.45 -11.9 100 98 99 100 319 474.7 15.253 -0.156 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1059 Glucose 19.5287 1900.9 3.1 scans 95% 73 m/z 0.075% 1.28% 1278 0.7 502 320268 5466070 5460978 1-0 20: 73 319 205 147 320 160 103 217 321 133 74 206 117 229 204 89 148 157 75 129 0.989 19.55 -1.8 100 99 99 99 376 18.6 0.137 -0.023 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7044 1915.0 2.9 scans 73% 73 m/z 2.2% 0.0292% 1294 1.3 89 10770 0.115% 124758 119537 490135 1-0 14: 73 319 147 205 117 320 217 307 103 89 206 59 321 75 0.980 19.79 -6.9 90 89 88 93 434 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7549 1919.0 2.8 scans 62% 333 m/z (319) 4.0% 0.0136% 1299 1.1 55 6013 0.0188% 58369 53299 80126 1-1 5: 333 160 334 327 335 0.899 19.79 -3.2 81 85 73 84 333 23.6 18.431 -0.039 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN N406_R~2-N1016 Galacturonic acid 19.7549 1919.0 2.8 scans 23% 333 m/z 6.9% 0.00508% 1299 1.1 34 3462 0.00698% 21683 19800 29749 1-1 5: 333 160 334 327 335 0.860 19.79 -3.1 84 85 78 87 423 5.1 2.261 -0.038 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1056 Ascorbic acid 19.8917 1930.0 2.7 scans 36% 332 m/z 6.6% 0.00993% 1312 1.0 49 3630 42336 42336 0-0 2: 332 374 0.658 19.99 -7.7 84 84 58 87 449 6.1 1.542 -0.094 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2832 1961.5 2.8 scans 76% 73 m/z (394) 0.18% 0.396% 1349 1.1 293 129821 1688250 1647019 1-1 20: 73 147 217 218 74 189 133 148 129 117 305 75 149 435 131 72 306 291 207 319 0.979 20.41 -10.5 91 92 90 93 217 72.6 6.139 -0.131 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2874 1961.8 2.6 scans 86% 394 m/z 0.19% 0.345% 1350 0.9 284 121878 1473031 1473031 0-0 20: 394 103 307 395 333 433 277 308 221 407 393 334 359 309 434 245 331 335 278 220 0.792 20.30 -0.7 97 98 93 98 433 28.1 0.981 -0.009 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1054 Gluconic acid 3 20.4568 1975.5 2.7 scans 84% 73 m/z 1.5% 0.0463% 1366 1.2 108 15301 0.0998% 197644 197644 425352 0-0 20: 73 147 205 292 319 204 214 217 103 142 320 305 74 206 291 189 133 359 244 334 0.998 20.55 -7.4 80 79 84 82 613 0.0 0.000 -0.092 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1050 Gluconic acid 20.5567 1983.5 2.8 scans 69% 73 m/z 3.1% 0.0223% 1375 1.1 74 7591 0.112% 95157 94941 477349 0-1 12: 73 333 147 292 319 334 293 305 205 217 423 103 0.968 20.65 -7.4 89 89 82 89 613 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1048 Galactaric acid 21.0723 2026.1 2.6 scans 71% 333 m/z 4.2% 0.0150% 1424 1.3 60 5669 64182 62134 0-4 6: 333 292 147 334 335 305 0.964 21.15 -6.6 89 90 83 89 627 5.0 0.691 -0.079 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6773 2076.9 3.3 scans 98% 305 m/z 0.014% 10.0% 1482 0.5 1398 1623522 42893432 42838363 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 367 133 129 148 291 1.000 21.75 -6.0 100 100 100 100 507 112.0 0.645 -0.072 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8657 2092.7 3.1 scans 97% 319 m/z 0.052% 2.21% 1500 0.8 655 456524 9427273 9025357 1-3 20: 319 73 205 147 320 217 262 103 321 206 204 117 229 74 157 133 148 263 89 129 0.998 21.93 -5.4 95 92 96 99 656 13.5 0.043 -0.064 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1824 2120.1 2.6 scans 91% 396 m/z 0.31% 0.271% 1530 1.0 257 77897 1159243 1123758 1-3 20: 396 219 73 397 381 398 191 220 307 382 249 293 75 74 383 221 233 115 192 133 0.969 22.19 -0.4 99 98 96 99 396 109.5 18.161 -0.004 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6695 2162.7 3.4 scans 84% 204 m/z 1.7% 0.0400% 1576 1.1 84 13891 0.0508% 170889 159224 216512 2-1 10: 204 73 205 145 361 206 191 117 362 218 0.984 22.71 -3.8 92 92 90 92 518 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN WTF2-N1036 C18:0 23.3924 2227.0 3.5 scans 68% 341 m/z 7.1% 0.0188% 1645 2.0 53 3405 0.0225% 80530 77907 95896 0-2 9: 341 117 132 342 145 129 57 55 356 0.948 22.89 45.2 83 90 79 90 356 7.7 2.126 0.503 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1195 2293.5 2.9 scans 68% 204 m/z 5.6% 0.00976% 1714 0.9 45 4317 0.0103% 41613 33516 43899 2-1 3: 204 205 147 0.930 24.01 10.0 81 82 76 84 490 0.0 0.000 0.109 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6487 2343.5 3.0 scans 96% 73 m/z 0.19% 0.685% 1764 0.6 341 124461 2920706 2882120 1-0 20: 73 147 331 217 191 205 421 307 103 262 319 305 332 204 117 259 74 422 333 308 0.996 24.65 -0.1 98 95 98 100 466 19.8 0.335 -0.001 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7445 2352.6 2.5 scans 88% 73 m/z 2.9% 0.0329% 1773 1.1 87 8172 0.427% 140542 125292 1819893 2-2 20: 73 217 204 147 292 375 103 305 219 218 293 205 74 451 233 376 133 363 148 131 1.000 24.81 -5.8 89 89 87 89 451 10.4 1.437 -0.061 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5300 2528.6 2.7 scans 89% 512 m/z 2.3% 0.0407% 1943 1.0 100 10219 173537 167980 1-1 17: 512 73 455 513 247 456 514 57 483 349 263 248 219 207 497 179 74 0.997 26.57 -4.5 96 95 88 96 512 35.2 12.401 -0.043 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1014 Sucrose 27.4034 2619.5 6.7 scans 93% 437 m/z 0.0078% 20.3% 2026 0.9 1421 3070214 86520096 84986602 1-1 14: 437 451 438 439 307 468 310 381 442 315 394 121 309 420 0.997 27.49 -9.2 100 100 99 100 437 288.8 4.160 -0.087 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1020 Sucrose 27.4034 2619.5 6.7 scans 16% 437 m/z (361) 0.037% 3.52% 2026 0.9 588 648240 15029483 14763099 1-1 14: 437 451 438 439 307 468 310 381 442 315 394 121 309 420 0.725 27.46 -6.1 92 93 55 98 437 282.9 23.201 -0.058 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1018 Sucrose 27.4034 2619.5 6.7 scans 35% 437 m/z (73) 0.011% 7.81% 2026 0.9 875 2121331 33293679 32703577 1-1 14: 437 451 438 439 307 468 310 381 442 315 394 121 309 420 0.803 27.47 -7.0 90 94 53 92 437 290.3 11.065 -0.067 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN TAB_REP6-N1070 Sucrose 27.4160 2620.8 6.6 scans 57% 361 m/z (437) 0.0081% 11.0% 2027 0.4 1130 2982374 13.0% 46905400 45626549 55406583 1-0 20: 361 362 363 219 205 331 244 321 291 365 192 190 241 206 293 246 193 201 260 202 0.940 27.41 0.7 82 81 74 91 451 120.0 0.000 0.006 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1010 Sucrose 27.4213 2621.4 6.6 scans 97% TIC 0.0075% 21.9% 2028 0.2 1481 3216322 93566308 93006556 1-0 0.999 27.58 -16.8 100 99 98 99 437 287.9 3.807 -0.158 G:\GCMS data\Nicotiana Panel polar\N506_REP6.FIN LQC1-N1008 Sucrose 27.4234 2621.6 6.5 scans 100% 73 m/z 0.0075% 21.6% 2028 0.2 1503 3216322 92376255 91241072 1-0 20: 73 217 147 103 169 129 191 74 204 320 230 133 245 75 148 117 149 157 273 131 0.999 27.59 -17.9 100 98 98 99 437 287.9 3.697 -0.168 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN EXBLK5S-N1006 Contamination 6.5900 1061.2 2.7 scans 62% 207 m/z 1.6% 0.0273% 48 1.7 81 13356 0.0401% 196772 142899 288155 9-7 6: 207 295 209 296 191 279 0.937 6.63 -2.1 93 91 83 96 295 23.0 8.013 -0.035 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1194 Alanine 7.3760 1107.8 5.8 scans 83% 116 m/z 0.43% 0.0932% 123 0.4 133 52004 0.137% 670433 669388 984471 0-1 13: 116 73 147 117 190 118 100 74 148 115 101 131 128 0.969 7.40 -1.7 97 96 94 97 283 0.0 0.000 -0.028 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN A-KETO~2-N1006 Contamination?? 7.8716 1137.2 2.7 scans 53% 156 m/z 5.1% 0.00541% 170 1.2 43 4383 0.0104% 38923 38090 74734 0-2 2: 156 55 0.907 7.96 -5.0 89 93 87 95 156 24.7 32.996 -0.085 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1192 Contamination 7.9558 1142.2 2.6 scans 86% 73 m/z 1.2% 0.0313% 178 1.0 110 17665 0.0665% 225067 221884 477864 3-0 20: 73 147 133 220 235 146 148 59 160 72 86 89 103 149 100 74 134 174 131 152 0.994 7.99 -2.0 99 99 97 99 235 21.5 3.838 -0.033 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN WTF2-N1026 Cadaverine NC 8.1862 1155.8 4.2 scans 81% 174 m/z 1.5% 0.0294% 200 1.1 76 14495 0.0526% 211459 200344 377979 1-2 12: 174 175 73 86 216 142 160 130 176 100 59 217 0.980 7.74 26.6 96 97 94 99 216 18.0 5.554 0.450 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1188 Contamination 8.3735 1167.0 4.0 scans 86% 281 m/z 1.2% 0.0447% 217 1.4 102 18022 0.0555% 321761 280309 398819 7-1 17: 281 147 73 369 370 283 265 371 249 148 191 207 193 266 284 267 149 0.982 8.41 -2.4 99 98 84 100 369 29.0 8.148 -0.042 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1190 Contamination 8.4755 1173.0 3.5 scans 71% 73 m/z 2.6% 0.0138% 227 1.6 64 8547 0.0306% 99615 95381 219889 2-0 13: 73 140 198 211 70 77 69 126 186 113 92 170 78 0.968 8.48 -0.5 91 91 88 91 309 7.1 1.220 -0.008 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1186 Phosphate 8.5208 1175.7 2.6 scans 84% TIC 0.65% 0.0368% 231 1.3 110 34423 0.0495% 264665 235518 355703 0-11 0.988 8.56 -2.3 100 99 96 99 299 0.0 0.000 -0.040 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1184 Valine 9.1500 1212.8 3.0 scans 92% 144 m/z 0.36% 0.0803% 291 0.9 154 61829 577258 502893 5-8 20: 144 73 218 145 147 219 74 100 146 59 75 148 133 114 132 220 246 203 156 128 0.996 9.19 -2.2 99 98 98 99 218 46.2 9.038 -0.038 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1180 Benzoic acid 9.7192 1246.1 2.9 scans 82% 179 m/z 1.2% 0.0303% 345 1.6 93 17864 218006 194251 1-5 12: 179 105 135 77 180 194 136 106 51 181 137 76 0.955 9.76 -2.4 99 99 94 99 194 14.5 2.469 -0.040 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1178 Ethanolamine 9.9918 1262.1 3.2 scans 94% TIC 0.21% 0.136% 371 1.1 197 102672 4.17% 977646 875982 29965288 4-0 0.995 10.03 -2.4 100 99 99 99 262 22.2 1.267 -0.042 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LEUCINE-N1054 Leucine 2TMS STD 10.0707 1266.7 3.1 scans 8.0% 158 m/z (299 205) 0.082% 0.209% 379 1.1 241 272763 1505420 1365038 3-3 14: 158 159 232 160 102 260 157 128 142 170 261 234 156 171 0.686 10.11 -2.5 84 97 66 93 158 194.8 65.295 -0.043 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN VEN77_S6-N1002 Glycerol 10.0928 1268.0 3.9 scans 88% TIC 0.0084% 3.72% 381 0.5 982 2652492 26796577 26523092 1-1 0.939 10.09 -0.0 100 99 97 99 299 607.4 38.490 -0.001 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LACTIC~1-N1034 Glycerol 10.1033 1268.6 2.6 scans 14% 205 m/z (299) 0.13% 0.309% 382 0.5 309 164112 0.321% 2221695 2098657 2306680 3-2 17: 205 117 218 103 206 204 175 203 129 101 219 217 293 220 294 295 263 0.714 10.11 -0.4 89 96 60 94 293 27.1 0.771 -0.007 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2348 1276.3 2.5 scans 92% 73 m/z 0.41% 0.0603% 394 1.4 151 54337 433681 424424 0-2 20: 73 198 77 211 70 199 74 239 212 381 289 200 72 75 143 92 170 142 115 261 0.994 10.24 -0.3 100 99 98 99 381 16.7 1.225 -0.005 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1176 Isoleucine 10.4305 1287.7 2.7 scans 74% 158 m/z 0.43% 0.0480% 413 1.1 128 51595 0.0884% 345235 332165 635235 2-0 13: 158 218 159 232 219 160 100 220 132 233 260 128 114 0.992 10.46 -1.7 99 98 96 98 260 10.5 0.671 -0.028 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1003 Isoleucine 10.4316 1287.8 >3 scans 90% TIC 0.42% 0.0670% 413 1.3 141 52303 2.17% 481642 459364 15593447 5-0 0.989 10.45 -0.8 99 98 96 99 232 22.4 2.513 -0.013 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1012 Proline 10.5242 1293.2 2.7 scans 96% 142 m/z 0.010% 1.89% 422 0.6 783 2146599 2.05% 13649491 12463427 14731137 6-0 20: 142 73 143 216 147 144 75 74 72 59 141 66 217 133 148 100 244 218 70 131 0.999 10.53 -0.6 99 97 98 100 216 144.5 3.426 -0.009 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5873 1296.9 3.0 scans 90% TIC 0.12% 0.170% 428 0.9 259 184587 3.96% 1226338 1226338 28456245 0-0 0.997 10.60 -0.9 99 97 98 98 245 60.0 5.378 -0.015 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1170 Glycine 10.6462 1300.4 2.9 scans 82% TIC 0.29% 0.0765% 433 1.1 186 75909 3.60% 550143 550143 25869314 0-0 0.998 10.69 -2.4 100 99 99 99 276 27.9 2.240 -0.041 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7451 1306.3 2.8 scans 97% 147 m/z 0.013% 1.89% 443 0.5 775 1606152 13596901 13213610 1-1 20: 147 73 251 148 76 149 58 132 74 252 133 177 176 150 75 118 146 59 62 253 0.994 10.76 -0.8 99 97 96 99 251 190.9 6.092 -0.013 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1168 Glyceric acid 11.0113 1322.4 2.4 scans 97% 73 m/z 0.11% 0.336% 468 1.1 364 187390 2418833 2311871 1-2 20: 73 147 292 189 133 293 103 205 190 117 102 148 307 75 294 74 149 59 191 101 0.999 11.05 -2.5 100 99 99 100 292 111.1 9.313 -0.043 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0724 1326.0 2.6 scans 46% 184 m/z 9.4% 0.00328% 474 0.9 35 2366 0.00687% 23599 23599 49367 0-0 4: 184 134 285 174 0.930 11.06 0.5 87 89 64 89 285 12.8 13.160 0.009 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1018 Uracil 11.1292 1329.5 2.7 scans 59% 241 m/z 7.6% 0.00455% 479 1.7 39 2947 32753 32753 0-1 5: 241 256 255 99 242 0.884 11.15 -1.1 92 92 89 95 256 14.0 13.111 -0.019 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1164 Itaconic acid 11.2102 1334.3 2.7 scans 76% 147 m/z 2.3% 0.0111% 487 1.2 63 9468 0.0116% 80206 69391 83357 4-1 8: 147 73 259 215 148 166 149 97 0.971 11.25 -2.6 89 86 85 94 259 13.4 4.538 -0.042 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1162 Fumaric acid 11.3533 1342.9 2.7 scans 95% 245 m/z 0.25% 0.115% 501 1.2 195 87667 828878 786617 2-2 20: 245 147 73 246 75 143 247 83 133 148 115 149 155 84 53 74 157 59 54 61 0.998 11.39 -2.4 100 99 98 99 245 110.4 32.113 -0.040 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4585 1349.3 3.1 scans 61% 84 m/z (57 204) 0.76% 0.0401% 511 1.1 110 29411 0.0509% 288394 282768 365763 1-0 20: 84 133 162 161 92 65 119 82 51 85 63 118 78 117 130 134 104 120 93 80 0.971 10.96 30.3 91 98 95 98 161 27.4 6.225 0.503 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1160 Serine 11.5038 1352.0 2.6 scans 95% TIC 0.15% 0.247% 515 0.9 297 146473 0.299% 1777476 1588021 2148590 0-2 0.997 11.56 -3.2 100 99 98 99 306 32.4 1.189 -0.053 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7258 1365.4 3.4 scans 65% 147 m/z 3.1% 0.0147% 536 0.8 63 7008 0.0163% 106047 95620 117131 0-2 8: 147 247 101 116 103 217 148 59 0.904 11.79 -3.5 90 90 87 93 262 7.2 1.315 -0.059 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1024 Threonine 11.9131 1376.6 2.6 scans 95% TIC 0.26% 0.179% 554 1.1 252 84502 1293385 1179305 2-5 0.998 11.92 -0.5 100 99 99 100 320 23.5 0.870 -0.008 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1150 Citrulline 13.0295 1445.9 2.8 scans 66% 128 m/z (174 350) 1.9% 0.0320% 660 1.3 103 11603 230389 215885 1-2 15: 128 243 115 141 100 169 244 70 153 142 258 216 245 114 170 0.970 13.08 -2.9 89 93 90 95 258 10.0 0.945 -0.047 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1148 Glutamine?? 13.3135 1463.8 2.8 scans 85% 155 m/z 0.40% 0.0640% 687 0.8 145 54826 0.0660% 460011 416289 474271 2-3 14: 155 156 229 139 59 74 100 157 84 56 230 131 257 72 0.988 13.35 -2.1 99 98 97 98 257 11.1 0.580 -0.033 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1146 Malic acid 13.6166 1482.8 6.0 scans 99% 73 m/z 0.0079% 10.8% 716 0.2 1345 2833638 77918373 77813260 1-0 20: 73 147 233 245 133 189 75 190 148 74 191 55 101 175 149 335 234 72 117 217 0.998 13.62 0.0 100 100 100 100 350 34.9 0.068 -0.000 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1142 Erythritol/Threitol 13.7229 1489.5 3.2 scans 57% TIC 4.0% 0.00477% 726 0.9 64 5527 6.43% 34341 34341 46205468 0-0 0.946 13.89 -10.6 85 86 82 88 320 5.3 0.671 -0.167 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1144 Contamination Parabanica acid 13.7881 1493.6 4.0 scans 78% 243 m/z 1.5% 0.0498% 732 0.8 110 14215 0.653% 358157 331436 4692406 8-4 12: 243 115 100 128 201 101 59 70 131 142 84 98 0.986 13.81 -1.2 97 96 93 96 243 44.5 16.349 -0.018 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN METHIO~1-N1066 Methionine 3TMS STD 14.0206 1508.7 3.6 scans 25% 176 m/z (232) 0.81% 0.0367% 754 1.2 99 27600 264178 243942 1-2 7: 176 128 177 250 293 178 160 0.941 14.06 -2.7 82 85 61 85 293 19.6 3.931 -0.039 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1140 Aspartic acid 14.0406 1510.1 2.6 scans 72% 232 m/z 0.11% 0.253% 756 0.9 312 194641 1820864 1736026 1-1 14: 232 233 218 100 234 202 188 306 117 216 219 334 292 204 0.988 14.09 -3.0 99 98 96 98 349 17.9 0.327 -0.046 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0648 1511.7 3.1 scans 73% 156 m/z (232) 0.13% 0.201% 758 0.8 244 161638 1447359 1431429 1-0 17: 156 157 230 258 158 121 140 112 260 231 228 141 67 214 93 113 273 0.983 14.11 -3.0 96 96 97 99 273 10.9 0.200 -0.045 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1032 GABA 14.2132 1521.5 2.7 scans 97% 174 m/z 0.024% 1.42% 772 0.7 690 899944 10211496 10211197 0-1 20: 174 304 73 147 175 305 176 86 75 306 216 59 143 246 100 133 172 148 74 130 0.996 14.19 1.7 100 99 99 100 304 218.8 10.086 0.025 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3668 1531.7 3.5 scans 85% TIC 1.4% 0.0278% 787 1.3 98 15449 2.09% 200321 200112 15018574 0-1 0.978 14.62 -16.9 90 88 88 93 409 7.8 0.631 -0.254 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6214 1548.6 2.5 scans 97% 73 m/z 0.052% 0.791% 811 0.9 549 429828 5691115 5501203 1-1 20: 73 292 147 220 205 293 217 117 103 294 221 148 133 74 319 75 291 149 206 102 0.996 14.69 -4.6 100 99 99 99 409 41.8 0.580 -0.071 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7540 1557.4 2.7 scans 97% 174 m/z 0.071% 0.382% 824 0.9 365 311407 2748320 2707532 0-1 20: 174 73 175 86 176 250 91 100 59 118 130 74 65 251 117 162 131 177 121 87 0.998 14.16 39.1 89 90 88 99 250 69.7 3.659 0.589 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1126 Pyrazine 15.0823 1579.1 2.6 scans 83% 227 m/z 0.99% 0.0489% 855 1.0 137 22544 351575 334929 1-1 20: 227 73 344 301 147 154 345 302 228 139 126 211 329 346 303 212 229 133 128 59 0.990 15.13 -3.3 99 98 96 98 344 42.3 9.573 -0.050 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3853 1599.2 2.6 scans 66% 217 m/z 1.1% 0.0154% 884 0.9 82 18870 0.0234% 111201 111201 168151 0-0 7: 217 218 219 129 230 103 215 0.984 15.44 -3.8 94 93 90 95 393 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1122 Ornithine?? 15.4474 1603.5 2.7 scans 56% 142 m/z 3.1% 0.0115% 890 0.9 64 7172 0.0123% 83151 83151 88387 0-0 8: 142 70 348 102 144 143 349 162 0.904 15.50 -3.5 83 84 82 86 348 12.4 3.734 -0.051 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1036 Glutamic acic 15.5063 1607.6 3.0 scans 59% TIC 4.4% 0.00522% 895 1.3 47 5042 37535 37535 0-0 0.913 15.50 0.2 96 97 92 99 363 4.1 0.756 0.003 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1118 Phenylalanine 15.6168 1615.3 2.7 scans 88% 218 m/z 0.23% 0.181% 906 0.9 253 95595 1306877 1300936 0-2 19: 218 192 73 219 193 147 100 266 91 220 74 194 132 65 148 294 59 160 177 0.921 15.66 -2.9 92 95 84 95 294 19.3 0.584 -0.042 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1038 Xylose 15.8967 1634.7 6.1 scans 65% TIC 2.9% 0.0135% 932 1.6 66 7472 0.310% 97114 97114 2227635 0-0 0.933 15.89 0.5 87 84 84 94 307 14.5 4.817 0.007 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1114 Xylose 16.0093 1642.5 2.6 scans 15% 103 m/z (271) 2.0% 0.0245% 943 1.0 92 11075 0.0379% 176334 156434 272346 2-1 20: 103 307 217 160 308 189 218 277 204 117 129 234 104 205 309 105 89 191 57 168 0.728 16.06 -3.8 85 89 57 94 307 34.4 13.881 -0.055 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1108 Ribose 16.1103 1649.5 2.6 scans 94% 73 m/z 0.23% 0.180% 953 1.0 260 96734 1294051 1290041 1-0 20: 73 103 307 217 147 308 277 189 218 160 309 133 74 75 205 104 117 233 89 219 0.997 16.38 -18.4 93 91 94 97 467 6.3 0.059 -0.265 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1112 Asparagine?? 16.2081 1656.3 2.7 scans 69% 116 m/z 1.5% 0.0273% 962 1.1 101 14193 196333 185559 1-1 13: 116 231 132 188 232 141 202 100 218 133 348 204 159 0.949 16.26 -3.7 87 84 90 94 348 9.4 0.874 -0.054 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6185 1684.8 2.6 scans 75% 73 m/z 1.3% 0.0307% 1001 1.3 117 17177 0.0773% 220856 220856 555472 0-0 20: 73 319 307 217 103 147 320 308 205 306 309 321 129 277 218 117 74 243 317 104 0.978 16.68 -4.0 98 98 93 98 497 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9321 1706.9 3.0 scans 66% 73 m/z 1.9% 0.0195% 1031 1.2 94 11658 0.202% 140811 140811 1451556 0-0 15: 73 217 147 205 319 318 204 308 320 243 277 133 246 206 321 0.972 16.99 -4.2 91 90 88 94 422 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0026 1712.1 3.1 scans 42% 217 m/z 3.2% 0.0148% 1037 1.4 71 6811 0.101% 106710 106710 725778 0-0 11: 217 205 319 307 103 320 129 218 189 204 308 0.708 17.06 -4.4 88 90 63 89 510 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1044 Putrescine 17.1941 1726.1 2.7 scans 68% 174 m/z (73) 0.61% 0.0377% 1056 1.0 112 36593 271363 251918 1-1 17: 174 175 214 176 86 172 200 100 146 130 142 362 173 376 187 201 99 0.986 17.19 0.5 96 97 96 99 376 8.1 0.532 0.006 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1096 Putrescine 17.1941 1726.1 2.7 scans 59% 174 m/z 0.60% 0.0314% 1056 1.0 104 37076 226138 209934 1-1 17: 174 175 214 176 86 172 200 100 146 130 142 362 173 376 187 201 99 0.997 17.25 -3.9 97 96 95 99 458 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1094 cis-Aconitic acid 17.3119 1734.7 2.8 scans 66% 73 m/z 1.9% 0.0163% 1067 1.0 79 11504 117181 117181 0-0 16: 73 147 375 133 229 211 285 376 215 75 161 67 247 148 149 117 0.869 17.36 -3.6 90 91 89 93 436 4.0 0.251 -0.050 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3866 1740.1 3.5 scans 72% TIC 1.6% 0.0287% 1074 1.5 96 13302 0.356% 206333 206333 2558188 0-0 0.985 17.44 -4.2 96 95 94 96 511 6.9 0.515 -0.056 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN WTF2-N1010 Glycerol-P 17.4908 1747.7 2.5 scans 47% 357 m/z 2.1% 0.0193% 1084 1.0 85 10653 138694 130290 1-7 17: 357 299 445 358 370 300 315 387 359 211 301 446 373 316 371 285 389 0.970 16.97 38.2 84 88 53 89 445 18.9 4.936 0.523 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5760 1753.9 3.0 scans 90% TIC 0.20% 0.160% 1092 1.0 231 110862 0.433% 1152696 1152696 3111504 0-0 0.990 17.63 -4.1 97 96 95 97 450 35.8 2.395 -0.056 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1088 Glutamine?? 17.6623 1760.2 2.7 scans 80% 156 m/z 0.19% 0.260% 1100 1.0 302 116751 1874092 1686283 1-4 14: 156 155 245 157 347 128 203 131 246 145 114 100 139 115 0.977 17.73 -4.7 92 91 93 95 511 6.2 0.043 -0.064 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1086 Fructofuranose 18.0726 1790.2 3.0 scans 65% 217 m/z 0.69% 0.0637% 1139 1.4 142 32428 0.403% 458359 440405 2895926 1-1 15: 217 437 438 218 439 257 219 230 435 215 303 440 347 291 393 0.903 18.13 -4.4 94 95 88 96 437 43.6 9.372 -0.061 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1084 Shikimic acid 18.1442 1795.4 2.7 scans 64% 204 m/z 0.32% 0.0804% 1146 0.9 171 68115 0.0834% 578448 533128 599306 0-2 15: 204 206 255 357 372 254 462 193 282 358 331 447 267 256 167 0.917 18.20 -3.8 93 89 67 98 462 15.5 0.820 -0.053 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1046 Shikimic acid 18.1452 1795.5 3.1 scans 80% TIC 0.33% 0.116% 1146 1.5 192 67841 2.09% 837977 837596 15018574 0-1 0.945 18.13 1.5 96 94 93 99 372 22.5 1.383 0.020 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1082 Citric acid 18.2778 1805.4 2.7 scans 95% 273 m/z 0.027% 2.07% 1159 0.5 838 805837 14924266 14516887 1-1 20: 273 73 147 363 375 347 274 465 275 211 305 364 348 376 149 148 75 257 466 221 0.997 18.32 -3.3 98 96 96 99 465 136.4 2.659 -0.043 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1080 Citrulline or Ornithine 18.3494 1810.9 2.8 scans 50% 256 m/z 2.5% 0.0195% 1165 1.0 82 8736 0.141% 140838 140838 1013215 0-0 10: 256 157 142 257 141 373 100 70 258 99 0.916 18.40 -3.9 84 85 84 90 416 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1076 Pregnane?? 18.8050 1845.6 3.0 scans 97% 345 m/z 0.012% 3.57% 1209 0.7 1050 1780320 25683138 24932049 1-1 20: 345 73 346 255 147 347 334 204 191 256 435 419 372 133 74 257 148 239 348 75 1.000 18.86 -4.1 100 100 100 100 537 82.8 0.625 -0.053 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1074 Adenine 18.8881 1852.0 3.1 scans 36% 264 m/z 2.1% 0.00910% 1217 1.3 53 10331 0.0845% 65406 65406 607210 0-0 6: 264 279 265 280 192 266 0.960 18.94 -3.9 89 88 79 93 415 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1072 Fructose 18.9912 1859.8 5.9 scans 99% 334 m/z 0.015% 7.34% 1226 1.0 1117 1418686 52755748 49594423 1-1 20: 334 244 118 119 318 146 332 311 555 246 265 222 300 128 54 70 55 377 344 434 1.000 19.03 -3.2 100 98 99 100 364 131.7 1.395 -0.042 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1052 Fructose 19.1322 1870.6 5.3 scans 96% 73 m/z 0.018% 5.31% 1240 0.4 1019 1183784 21.4% 38191166 37917415 153778698 1-1 20: 73 307 217 103 147 308 218 277 309 364 74 205 133 262 117 89 219 189 104 148 1.000 19.10 2.2 100 99 100 100 364 121.3 1.421 0.028 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1056 Glucose 19.2448 1879.2 >6 scans 81% 73 m/z 0.10% 0.793% 1251 0.7 428 217329 22.1% 5703441 5703441 158808842 0-0 20: 73 319 205 147 217 320 103 321 117 74 218 133 148 189 229 129 157 207 149 161 0.999 19.33 -6.6 96 94 96 96 364 15.9 0.138 -0.087 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1064 Mannose 19.3637 1888.2 6.7 scans 97% 322 m/z 0.0094% 12.9% 1262 0.2 1412 2380590 13.7% 92698371 91582458 98447110 0-1 20: 322 162 376 235 465 467 223 254 209 155 393 324 449 237 272 253 139 314 450 81 0.997 19.45 -7.0 100 99 98 100 319 575.4 16.688 -0.091 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN BRA4_R~2-N1004 Galactose 19.3711 1888.8 6.5 scans 80% 319 m/z (322) 0.010% 11.0% 1263 0.2 1316 2143327 11.7% 79358344 78647467 84075269 0-1 20: 319 73 205 147 320 160 217 321 206 103 229 117 133 204 157 189 129 148 207 161 0.965 19.36 0.7 91 95 92 95 364 43.5 0.000 0.010 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5205 1900.2 2.9 scans 16% 174 m/z 0.24% 0.0698% 1277 1.2 149 93144 0.156% 501822 488152 1121004 1-0 11: 174 175 338 86 176 339 179 250 264 251 124 0.989 19.49 2.4 83 83 62 85 338 38.7 6.738 0.030 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1059 Glucose 19.5762 1904.7 3.0 scans 95% 319 m/z 0.020% 3.34% 1282 0.5 988 1109059 3.46% 24035525 23100097 24863285 2-0 20: 319 73 205 147 320 160 217 103 321 206 133 117 74 229 157 129 189 148 89 204 0.996 19.55 2.0 100 99 99 99 376 41.3 0.175 0.024 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1060 Lysine 19.6330 1909.2 2.9 scans 91% 174 m/z 0.17% 0.401% 1287 1.0 361 126891 2.40% 2887488 2852690 17246209 0-1 20: 174 317 73 156 318 230 128 175 147 100 200 86 319 434 176 59 74 115 88 130 0.994 19.69 -4.9 88 84 69 97 479 3.4 0.009 -0.060 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7309 1917.1 2.8 scans 81% 73 m/z 0.55% 0.0791% 1297 1.0 175 40374 3.29% 568408 560150 23641678 2-0 20: 73 319 144 147 205 244 117 217 103 307 321 74 206 75 89 148 59 245 189 129 0.989 19.79 -4.8 84 81 84 89 434 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN N406_R~2-N1016 Galacturonic acid 19.7888 1921.8 2.7 scans 25% 333 m/z 2.6% 0.00769% 1302 1.1 52 8400 55258 55258 1-0 6: 333 334 335 364 274 393 0.959 19.79 -0.3 93 94 87 95 423 7.4 2.036 -0.004 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1056 Ascorbic acid 19.9171 1932.1 3.4 scans 73% TIC 1.1% 0.0383% 1314 0.8 113 18823 0.262% 275269 275269 1882711 0-0 0.973 19.99 -5.6 92 90 88 95 449 11.4 1.008 -0.069 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.3001 1962.9 2.8 scans 80% 73 m/z (103) 0.15% 0.307% 1351 1.1 312 144403 0.380% 2208782 1935598 2730650 7-1 20: 73 147 217 205 218 74 117 435 133 189 129 148 305 75 149 231 291 219 131 203 0.983 20.41 -9.1 92 92 94 97 217 71.0 5.176 -0.114 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.3044 1963.2 2.7 scans 39% 103 m/z 0.47% 0.133% 1351 1.0 217 47181 962903 957472 1-0 20: 103 394 307 395 277 433 221 308 393 279 407 434 245 104 359 334 105 278 405 118 0.477 20.30 0.7 91 94 69 94 433 21.9 1.019 0.008 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1052 Gluconic acid 2 20.5221 1980.7 3.1 scans 58% TIC 1.9% 0.0123% 1372 1.0 95 11241 0.167% 88754 88754 1200049 0-0 0.937 20.60 -6.0 92 93 85 92 613 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1054 Gluconic acid 3 20.7421 1998.4 3.3 scans 71% TIC 1.2% 0.0384% 1393 0.8 113 18038 0.0659% 276338 276338 473552 0-0 0.914 20.55 15.5 83 83 77 88 613 0.0 0.000 0.193 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1050 Gluconic acid 20.7421 1998.4 3.3 scans 65% 73 m/z 1.2% 0.0336% 1393 0.8 108 17605 0.0587% 241759 241759 421814 0-0 20: 73 319 147 305 205 217 433 293 435 359 360 277 306 320 148 321 206 307 74 219 0.849 20.65 7.5 83 84 74 87 613 0.0 0.000 0.094 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1048 Galactaric acid 21.0851 2027.1 2.9 scans 68% 333 m/z 2.3% 0.0222% 1425 1.1 85 9566 0.0223% 159807 157888 160246 2-0 8: 333 292 334 335 293 305 277 294 0.968 21.15 -5.6 91 89 82 94 627 7.2 0.732 -0.066 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN WTF2-N1038 C16:0 21.1461 2032.3 2.8 scans 71% 313 m/z 2.4% 0.0227% 1431 1.3 88 8961 163530 156759 0-4 14: 313 117 132 75 314 129 145 55 328 315 57 131 69 118 0.936 20.62 44.0 88 94 90 95 328 11.0 1.559 0.529 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1042 myo-Inositol 21.7101 2079.7 5.2 scans 79% 305 m/z (508) 0.013% 8.83% 1485 0.3 1318 1670608 63505769 63449539 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 367 133 129 291 192 0.982 21.77 -5.4 95 97 97 98 318 323.8 6.052 -0.064 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.7101 2079.7 5.2 scans 97% TIC 0.011% 10.9% 1485 0.3 1458 2007244 78432858 78357089 1-0 0.997 21.75 -3.2 100 100 99 100 507 113.0 0.603 -0.039 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8700 2093.1 3.0 scans 95% 319 m/z 0.096% 0.633% 1500 1.0 443 233087 4549502 4404970 1-1 20: 319 73 205 147 320 217 103 321 262 204 206 117 74 229 133 157 148 89 129 291 0.997 21.93 -5.0 95 92 96 99 656 9.7 0.048 -0.060 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN GUANINE-N1026 Guanine 3TMS STD 22.0247 2106.3 3.1 scans 81% TIC 0.39% 0.0763% 1515 1.6 155 57194 0.210% 548709 524179 1509043 0-1 0.966 22.05 -2.1 99 99 92 99 367 49.9 10.414 -0.024 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1962 2121.3 2.5 scans 88% 396 m/z 0.56% 0.0916% 1531 1.2 195 39387 0.147% 658693 657290 1056330 1-0 18: 396 73 219 397 319 381 398 220 191 307 205 382 320 249 103 321 74 293 0.994 22.19 0.8 92 87 84 99 396 73.8 14.356 0.010 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6707 2162.8 3.8 scans 85% TIC 0.59% 0.0757% 1576 1.0 137 37703 0.109% 544332 498414 783265 2-1 0.985 22.71 -3.7 95 93 95 99 518 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN WTF2-N1036 C18:0 23.3946 2227.2 2.7 scans 74% 341 m/z 2.9% 0.0176% 1645 1.1 77 7652 0.0226% 126964 110348 162402 1-6 11: 341 117 342 75 132 145 129 55 57 356 343 0.986 22.89 45.4 87 93 86 93 356 10.3 1.779 0.506 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1024 Glycerolgalactose 24.1270 2294.1 2.7 scans 97% 204 m/z 0.051% 0.709% 1715 1.0 487 433251 5099475 4988091 1-2 20: 204 73 217 147 205 337 103 129 206 219 361 218 338 191 133 74 75 148 131 203 0.999 24.18 -5.0 98 97 99 99 581 11.0 0.051 -0.055 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6541 2344.0 3.0 scans 88% 73 m/z 0.35% 0.187% 1765 0.9 240 63737 0.311% 1349268 1318844 2234821 0-2 20: 73 331 147 217 191 307 421 262 319 103 205 332 305 422 259 333 423 308 376 192 0.996 24.65 0.4 97 96 97 98 466 16.2 0.454 0.004 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7436 2352.5 2.6 scans 90% 73 m/z 0.58% 0.105% 1773 0.9 194 38441 0.306% 758309 740865 2198892 1-0 20: 73 217 204 147 292 375 103 305 219 218 451 233 293 376 205 363 129 191 74 333 0.989 24.81 -5.9 96 96 96 96 451 23.5 1.466 -0.061 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3839 2513.5 3.0 scans 98% 204 m/z 0.0098% 3.94% 1929 0.6 1122 2263588 28317371 27994178 1-1 20: 204 73 205 495 147 217 206 496 363 117 273 129 74 191 497 319 130 103 231 75 1.000 26.35 3.5 100 99 98 99 495 227.1 4.144 0.034 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5386 2529.5 2.9 scans 52% 512 m/z 1.8% 0.0282% 1944 0.9 97 12050 203158 203158 0-0 17: 512 455 513 247 514 483 457 57 263 248 349 249 235 484 498 264 353 0.823 26.57 -3.6 94 94 65 95 512 40.9 17.824 -0.034 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1014 Sucrose 27.3814 2617.1 2.8 scans 92% TIC 0.015% 2.83% 2024 0.6 934 1443853 20371621 19360319 1-1 0.962 27.49 -11.6 99 98 96 99 437 189.5 4.142 -0.109 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1018 Sucrose 27.3814 2617.1 2.7 scans 86% 361 m/z (204) 0.015% 2.47% 2024 0.7 902 1443853 17793914 17078836 2-1 20: 361 73 362 217 437 363 147 271 103 451 438 129 169 218 319 243 191 439 364 452 0.994 27.47 -9.4 97 98 96 98 437 189.5 4.440 -0.089 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1010 Sucrose 27.3856 2617.6 2.8 scans 38% 204 m/z 0.042% 1.09% 2024 0.9 599 525228 1.21% 7877141 7660076 8694964 0-1 20: 204 307 423 306 424 206 308 101 425 116 309 161 277 270 426 310 278 539 120 162 0.456 27.58 -20.6 86 91 46 89 437 174.1 0.000 -0.193 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN LQC1-N1006 Trehalose 28.3610 2722.8 3.1 scans 59% TIC 1.9% 0.00967% 2117 1.0 71 11544 0.115% 69531 69531 826381 0-0 0.953 28.47 -12.1 92 92 82 92 565 0.0 0.000 -0.107 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN GUA35_L1-N1020 Galactinol 30.4770 2964.2 3.2 scans 66% 204 m/z (345 91) 0.82% 0.0624% 2318 0.9 133 27001 0.165% 448477 434766 1185677 0-3 20: 204 217 191 305 205 433 641 361 206 129 218 103 434 319 642 331 343 265 271 318 0.973 30.55 -8.2 91 95 94 96 641 14.7 1.221 -0.068 G:\GCMS data\Nicotiana Panel polar\N507_REP1.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6249 3100.6 3.1 scans 92% 204 m/z 0.18% 0.249% 2427 1.2 276 124411 0.624% 1793524 1701696 4484014 0-3 20: 204 73 217 205 597 129 147 361 103 598 206 337 191 218 599 243 219 362 271 363 0.998 31.68 -6.0 99 98 98 98 597 50.6 3.366 -0.050 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN EXBLK5S-N1006 Contamination 6.5846 1060.9 2.9 scans 66% TIC 0.88% 0.0428% 47 2.4 103 26567 0.183% 317903 207220 1357330 13-0 0.940 6.63 -2.4 98 98 94 98 295 30.8 8.896 -0.040 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.7477 1070.6 6.4 scans 41% 117 m/z 2.3% 0.0187% 63 1.3 76 10198 0.0549% 139152 139152 407199 0-0 6: 117 190 66 191 219 118 0.951 6.82 -4.3 93 92 82 97 295 2.9 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1194 Alanine 7.3696 1107.4 5.5 scans 81% 116 m/z 0.55% 0.0882% 122 0.4 119 42908 0.122% 654451 548652 904887 2-0 9: 116 73 147 117 190 118 218 133 86 0.969 7.40 -2.1 98 97 94 98 283 4.6 0.149 -0.034 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN A-KETO~2-N1006 Contamination?? 7.8694 1137.1 2.8 scans 52% 156 m/z 5.2% 0.00620% 170 1.1 45 4493 0.0162% 46010 46010 120157 0-0 3: 156 55 157 0.875 7.96 -5.1 92 92 88 96 156 24.2 29.160 -0.088 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1192 Contamination 7.9535 1142.1 2.7 scans 89% 147 m/z 0.82% 0.0534% 177 1.1 138 28715 0.0697% 396486 388363 516972 3-0 19: 147 73 133 220 235 146 72 148 59 86 103 100 149 89 134 160 131 74 221 0.992 7.99 -2.1 100 99 98 99 235 27.0 3.849 -0.035 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN WTF2-N1026 Cadaverine NC 8.1819 1155.6 3.4 scans 78% 174 m/z 1.5% 0.0220% 199 1.2 75 14813 0.0488% 163837 153792 361955 3-0 11: 174 175 216 142 86 160 176 130 59 100 217 0.980 7.74 26.4 95 95 92 99 216 17.7 5.633 0.446 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1188 Contamination 8.3713 1166.8 3.7 scans 83% 281 m/z 1.6% 0.0328% 217 1.2 85 14078 244015 196157 6-11 12: 281 369 147 282 283 371 249 207 267 191 148 284 0.985 8.41 -2.6 99 98 85 99 369 25.2 8.873 -0.044 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1186 Phosphate 8.5186 1175.6 2.4 scans 83% 241 m/z 0.65% 0.0310% 231 1.2 109 35810 230421 226166 0-5 18: 241 242 133 243 163 256 135 195 59 137 98 119 181 165 134 121 107 164 0.985 8.56 -2.4 100 99 97 99 299 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1184 Valine 9.1478 1212.7 3.0 scans 88% 144 m/z 0.53% 0.0523% 291 1.0 124 43979 0.0745% 388627 342300 552574 7-8 18: 144 73 218 145 147 219 100 59 74 246 220 132 133 129 114 72 128 148 0.990 9.19 -2.3 98 97 97 99 218 36.6 8.738 -0.040 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1180 Benzoic acid 9.7160 1245.9 2.9 scans 80% 179 m/z 2.9% 0.0152% 345 1.4 67 8092 113240 106169 0-7 8: 179 105 135 77 180 194 136 106 0.961 9.76 -2.6 93 91 87 96 194 10.1 2.283 -0.043 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1178 Ethanolamine 9.9895 1261.9 3.2 scans 92% 174 m/z 0.22% 0.128% 371 1.0 191 102920 1.14% 953084 869707 8455501 3-0 20: 174 73 175 147 100 86 176 59 133 262 130 74 131 114 101 148 117 188 172 87 0.996 10.03 -2.6 100 99 99 99 262 20.3 1.124 -0.044 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN VEN77_S6-N1002 Glycerol 10.1011 1268.5 3.9 scans 92% 299 m/z 0.0062% 5.46% 382 0.4 1133 3761934 40536636 39685077 1-1 20: 299 73 300 314 301 133 283 207 315 211 193 191 298 316 302 135 225 74 75 131 0.976 10.09 0.5 99 98 94 99 299 701.7 38.562 0.007 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2347 1276.3 2.5 scans 91% 73 m/z 0.41% 0.0619% 394 1.3 150 56873 459295 436425 1-2 19: 73 198 77 211 199 74 70 239 381 289 212 200 72 92 285 170 143 63 142 0.995 10.24 -0.3 99 99 98 99 381 17.3 1.334 -0.005 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1176 Isoleucine 10.4283 1287.6 >3 scans 82% TIC 0.78% 0.0336% 413 1.2 105 30057 1.82% 249303 248172 13499134 1-0 0.986 10.46 -1.8 98 97 95 99 260 8.0 0.580 -0.031 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1012 Proline 10.5209 1293.0 3.1 scans 95% 142 m/z 0.013% 1.71% 421 0.6 696 1796879 1.87% 12732614 11627793 13869989 6-0 20: 142 73 143 216 147 144 75 74 59 72 217 66 133 148 101 100 244 218 131 70 0.997 10.53 -0.8 99 98 98 100 216 128.4 3.426 -0.012 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5851 1296.8 2.9 scans 86% 147 m/z 0.14% 0.164% 428 0.9 241 168239 2.22% 1223192 1223192 16465976 0-0 19: 147 73 148 245 75 149 83 115 74 246 133 84 170 126 58 215 53 54 242 0.997 10.60 -1.0 98 96 97 98 245 56.0 5.407 -0.017 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1170 Glycine 10.6440 1300.2 2.9 scans 84% TIC 0.30% 0.0781% 433 1.1 185 78178 3.66% 579418 579418 27146610 0-0 0.999 10.69 -2.6 100 99 99 99 276 27.7 2.234 -0.043 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7440 1306.3 3.1 scans 96% 147 m/z 0.014% 2.00% 443 0.5 746 1576603 14853850 14317945 1-2 19: 147 73 251 148 76 149 58 132 252 74 133 177 150 176 59 131 253 118 62 0.993 10.76 -0.8 99 98 96 99 251 183.5 6.075 -0.014 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1168 Glyceric acid 11.0091 1322.2 2.5 scans 95% 73 m/z 0.14% 0.285% 468 1.0 326 160058 2117185 1990313 1-2 20: 73 147 292 189 133 103 205 293 117 102 190 148 307 75 74 294 149 59 101 191 0.999 11.05 -2.7 100 99 99 100 292 99.3 9.260 -0.045 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0649 1325.6 >3 scans 59% TIC 8.2% 0.00496% 473 1.5 45 2857 0.210% 36850 36850 1557592 0-0 0.937 11.06 0.1 94 95 84 95 285 14.3 10.061 0.002 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1018 Uracil 11.1280 1329.4 2.9 scans 56% 241 m/z 7.4% 0.00538% 479 1.6 40 3184 39961 38642 0-5 5: 241 255 256 99 242 0.901 11.15 -1.2 95 95 95 99 256 14.0 12.248 -0.020 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1164 Itaconic acid 11.2080 1334.2 2.7 scans 81% 147 m/z 1.1% 0.0239% 487 1.1 89 19755 0.0253% 177727 161463 187653 2-2 14: 147 73 259 148 215 149 97 230 133 67 141 74 68 83 0.973 11.25 -2.7 93 92 91 96 259 18.2 4.228 -0.044 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1162 Fumaric acid 11.3511 1342.8 2.6 scans 94% 245 m/z 0.19% 0.160% 500 1.2 232 124227 1193469 1116436 2-2 20: 245 147 73 246 75 143 247 83 240 148 133 149 84 115 155 74 53 248 59 127 0.997 11.39 -2.5 99 98 97 98 245 127.5 30.255 -0.042 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4500 1348.8 3.0 scans 17% 57 m/z (84) 1.3% 0.0266% 510 1.2 89 17557 0.0358% 197331 192818 265532 2-0 11: 57 145 97 115 127 56 69 129 111 109 87 0.859 11.45 0.3 86 87 92 98 145 26.5 8.840 0.004 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4584 1349.3 3.0 scans 77% 84 m/z 0.26% 0.118% 511 1.4 182 88378 876607 838140 1-3 19: 84 133 161 162 119 92 65 51 82 85 118 63 78 134 130 91 104 106 64 0.870 10.96 30.3 93 96 94 97 161 45.9 6.387 0.502 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1020 Serine 11.5016 1351.9 2.8 scans 93% TIC 0.21% 0.213% 515 0.9 251 108654 0.327% 1580825 1465439 2425394 0-2 0.998 11.51 -0.7 100 99 98 99 306 27.2 1.171 -0.011 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1024 Threonine 11.9119 1376.6 2.6 scans 94% TIC 0.36% 0.134% 554 1.1 210 64455 0.137% 996525 928665 1016144 2-2 0.992 11.92 -0.5 100 99 99 100 320 20.1 0.918 -0.009 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1150 Citrulline 13.0251 1445.6 2.8 scans 53% 128 m/z (174 350) 4.2% 0.0173% 659 1.2 74 5613 0.0174% 128340 128340 129058 0-0 8: 128 243 115 141 169 244 70 142 0.959 13.08 -3.2 83 86 85 93 258 7.7 1.104 -0.051 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2734 1461.2 2.7 scans 23% 247 m/z (155) 7.3% 0.00431% 683 1.3 38 3195 32032 32032 0-1 3: 247 248 259 0.733 13.31 -2.1 81 86 37 84 349 6.4 2.851 -0.033 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1148 Glutamine?? 13.3071 1463.4 2.8 scans 93% 155 m/z 0.21% 0.134% 686 0.8 207 111379 0.142% 996875 986451 1053229 3-0 20: 155 73 147 156 229 139 75 59 157 74 100 148 84 131 230 257 103 133 58 56 0.990 13.35 -2.5 99 98 98 99 257 16.5 0.634 -0.040 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1146 Malic acid 13.5944 1481.4 4.9 scans 98% 73 m/z 0.010% 7.38% 714 0.2 1196 2292236 54771098 54540833 1-0 20: 73 147 233 245 189 133 335 190 148 175 191 75 265 234 149 74 307 217 101 55 1.000 13.62 -1.4 100 100 100 100 350 32.6 0.075 -0.023 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1142 Erythritol/Threitol 13.7164 1489.1 2.6 scans 65% 73 m/z 2.9% 0.0105% 725 1.1 73 8037 4.05% 78439 78439 30039281 0-0 13: 73 217 147 205 103 133 204 245 307 189 117 191 218 0.966 13.89 -11.0 86 82 81 95 320 6.3 0.756 -0.174 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1144 Contamination Parabanica acid 13.7648 1492.2 3.1 scans 65% 243 m/z (127) 2.4% 0.0246% 730 1.1 83 9654 0.0250% 183119 170416 185428 1-3 7: 243 115 100 128 244 201 158 0.974 13.81 -2.6 94 96 89 96 243 35.5 18.138 -0.041 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1028 Aspartic acid 14.0363 1509.8 2.6 scans 42% 232 m/z (73) 0.094% 0.242% 756 0.9 283 250298 1798010 1754915 1-1 17: 232 233 218 100 234 202 188 306 117 216 334 204 292 130 101 235 142 0.975 14.02 1.3 93 93 90 98 258 7.1 0.000 0.019 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0395 1510.0 3.8 scans 65% 73 m/z (232) 0.090% 0.504% 756 1.3 349 261314 3740447 3509254 1-1 20: 73 147 75 74 133 59 148 149 349 70 131 190 115 119 307 244 134 135 308 76 0.971 14.11 -4.7 95 96 95 98 273 12.5 0.129 -0.071 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1140 Aspartic acid 14.0395 1510.0 3.8 scans 77% 73 m/z (156) 0.093% 0.603% 756 1.3 382 253294 4477050 4200329 1-1 20: 73 147 75 74 133 59 148 149 349 70 131 190 115 119 307 244 134 135 308 76 0.989 14.09 -3.1 97 98 98 99 349 20.1 0.276 -0.048 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1032 GABA 14.2078 1521.1 2.6 scans 98% 174 m/z 0.024% 1.35% 772 0.7 692 959895 10062686 10055953 1-0 20: 174 304 73 147 175 305 176 86 75 216 59 246 143 306 100 172 133 148 130 142 0.999 14.19 1.3 100 99 99 99 304 218.4 9.997 0.020 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3635 1531.5 2.5 scans 57% 292 m/z 2.7% 0.0150% 787 1.0 72 8648 111447 111447 1-0 5: 292 220 293 205 294 0.943 14.62 -17.1 89 88 82 93 409 6.6 0.822 -0.257 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6119 1547.9 2.5 scans 95% 73 m/z 0.12% 0.344% 810 1.2 351 195558 0.352% 2557326 2482529 2610821 0-1 20: 73 292 147 220 205 293 217 117 103 294 221 148 74 133 319 149 291 75 206 245 0.991 14.69 -5.3 100 99 98 99 409 26.0 0.547 -0.080 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7465 1556.9 2.8 scans 90% 174 m/z 0.091% 0.315% 823 0.9 327 257815 2338122 2156718 1-1 20: 174 73 175 86 176 250 91 100 59 130 251 65 118 74 117 162 121 177 131 105 0.995 14.16 38.6 89 91 88 99 250 62.6 3.675 0.582 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1126 Pyrazine 15.0769 1578.8 2.7 scans 91% TIC 0.44% 0.128% 854 1.1 207 52690 951761 946272 0-1 0.978 15.13 -3.6 100 99 98 99 344 62.8 9.235 -0.055 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3789 1598.8 2.5 scans 59% 217 m/z 1.4% 0.0218% 883 1.3 80 15949 0.0244% 162254 114094 180977 0-4 5: 217 218 219 103 261 0.897 15.44 -4.2 90 91 86 91 393 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1036 Glutamic acic 15.5041 1607.4 2.5 scans 58% 246 m/z 3.2% 0.00736% 895 1.0 53 7243 0.00781% 54643 54326 57928 1-0 5: 246 247 128 348 248 0.942 15.50 0.0 96 95 93 99 363 6.8 1.691 0.001 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1118 Phenylalanine 15.6083 1614.7 2.7 scans 70% 218 m/z 0.30% 0.133% 905 1.1 216 76349 990487 937225 1-2 14: 218 192 219 91 100 266 220 65 132 294 160 101 177 92 0.798 15.66 -3.5 91 93 82 96 294 15.6 0.522 -0.051 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1038 Xylose 15.8955 1634.6 >4 scans 53% TIC 5.1% 0.00636% 932 1.3 53 4573 0.0146% 47186 47186 108290 0-0 0.883 15.89 0.4 84 82 82 96 307 13.1 6.107 0.006 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1114 Xylose 16.0071 1642.4 2.7 scans 9.0% 103 m/z (271) 2.3% 0.0212% 943 1.0 84 10250 0.0328% 157817 150821 243281 2-2 19: 103 307 217 308 189 160 129 105 218 204 277 205 309 89 104 201 234 191 233 0.623 16.06 -3.9 85 91 58 94 307 30.1 12.777 -0.057 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1108 Ribose 16.1060 1649.2 2.6 scans 91% 73 m/z 0.33% 0.127% 952 1.0 213 70651 0.262% 943888 916898 1943282 3-2 20: 73 103 307 217 147 308 277 160 189 218 74 133 309 104 105 89 117 205 75 219 0.996 16.38 -18.7 94 92 94 97 467 4.2 0.040 -0.269 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.2280 1657.7 2.8 scans 24% 290 m/z 2.8% 0.00597% 964 1.7 41 8145 0.00625% 44339 40726 46357 1-2 3: 290 291 292 0.758 16.28 -3.4 86 88 55 93 392 7.7 3.523 -0.048 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6163 1684.7 2.6 scans 65% 307 m/z 2.3% 0.0196% 1001 1.1 88 10256 0.0350% 145617 145617 259599 0-0 12: 307 319 217 103 308 320 321 277 306 129 309 243 0.966 16.68 -4.1 96 96 88 96 497 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9319 1706.9 3.0 scans 59% 73 m/z 2.0% 0.0168% 1031 1.1 85 11332 0.224% 125330 125330 1661432 0-0 14: 73 217 147 319 318 205 103 246 307 320 218 277 382 129 0.900 16.99 -4.2 88 88 86 92 422 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0003 1711.9 3.0 scans 44% 217 m/z 3.9% 0.0169% 1037 1.6 75 5938 0.0983% 125380 124187 729102 1-0 12: 217 305 319 307 205 129 204 218 189 320 321 308 0.728 17.06 -4.6 91 92 64 92 510 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1096 Putrescine 17.1897 1725.7 2.8 scans 58% 174 m/z 0.72% 0.0261% 1055 1.3 92 32644 193762 187737 0-2 12: 174 175 214 86 172 176 200 361 100 142 376 241 0.989 17.25 -4.3 95 94 93 98 458 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1044 Putrescine 17.1897 1725.7 2.8 scans 72% 174 m/z (73) 0.72% 0.0327% 1055 1.3 103 32375 242665 235119 0-2 12: 174 175 214 86 172 176 200 361 100 142 376 241 0.974 17.19 0.1 93 94 93 98 376 8.2 0.637 0.002 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1094 cis-Aconitic acid 17.3065 1734.3 2.8 scans 67% TIC 1.6% 0.0204% 1066 1.0 86 14192 151308 148134 0-1 0.894 17.36 -4.0 88 87 88 92 436 6.3 0.530 -0.055 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3865 1740.1 >5 scans 62% TIC 2.4% 0.0244% 1074 1.4 83 9785 0.366% 181046 181046 2714661 0-0 0.941 17.44 -4.2 93 93 90 94 511 5.3 0.407 -0.057 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN WTF2-N1010 Glycerol-P 17.4854 1747.3 2.6 scans 47% 357 m/z (73) 2.2% 0.0213% 1083 1.2 86 10533 0.0221% 158647 158647 163918 0-0 18: 357 299 358 445 315 300 211 359 387 370 446 301 328 388 389 316 447 225 0.939 16.97 37.8 85 91 60 92 445 18.4 4.520 0.517 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5748 1753.9 2.8 scans 89% 217 m/z 0.13% 0.236% 1092 0.9 284 181003 0.357% 1755263 1636981 2647907 0-1 20: 217 73 218 147 450 219 191 305 451 74 232 75 129 257 133 148 149 452 169 306 0.994 17.63 -4.1 98 96 97 98 450 43.5 2.343 -0.057 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1088 Glutamine?? 17.6580 1759.9 2.6 scans 74% 156 m/z 0.19% 0.259% 1100 1.0 290 119860 1923729 1824372 1-8 19: 156 155 245 75 157 347 203 128 131 246 145 114 100 115 139 362 149 273 229 0.962 17.73 -5.0 90 90 91 91 511 4.5 0.024 -0.068 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7043 1763.3 3.1 scans 30% 334 m/z (156 319) 2.4% 0.0327% 1104 1.0 97 9717 0.0448% 243190 232595 332286 0-3 13: 334 204 256 335 255 166 336 167 285 151 211 268 67 0.708 17.70 0.4 86 92 56 91 375 14.6 2.288 0.005 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1086 Fructofuranose 18.0715 1790.1 3.1 scans 89% TIC 0.18% 0.266% 1139 1.3 280 126354 2.16% 1974770 1791713 16020950 2-0 0.986 18.13 -4.5 95 93 95 98 437 79.3 8.010 -0.063 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1084 Shikimic acid 18.1399 1795.1 2.8 scans 33% 204 m/z 0.55% 0.0363% 1146 1.0 109 42919 0.0786% 269458 252877 582985 0-4 19: 204 357 255 206 254 372 447 462 358 256 331 239 356 359 283 167 181 373 195 0.882 18.20 -4.1 97 97 95 98 462 11.8 1.188 -0.057 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1046 Shikimic acid 18.1430 1795.3 >3 scans 61% TIC 0.52% 0.0400% 1146 1.1 147 44651 1.49% 297042 297042 11051489 0-0 0.966 18.13 1.3 93 92 88 96 372 17.2 1.378 0.018 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1082 Citric acid 18.2693 1804.8 2.6 scans 96% 273 m/z 0.032% 1.69% 1158 0.7 780 717185 12594485 12591133 1-0 20: 273 73 147 363 347 375 274 465 211 275 305 149 364 148 376 75 348 257 221 466 0.992 18.32 -3.9 98 97 97 99 465 122.7 2.482 -0.052 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5870 1829.0 4.6 scans 50% 217 m/z (173) 1.1% 0.0425% 1188 1.4 95 20401 0.0574% 315247 315247 425742 0-0 8: 217 204 191 319 218 219 448 321 0.937 18.67 -6.3 84 87 76 86 319 20.3 4.573 -0.082 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1076 Pregnane?? 18.7943 1844.8 3.1 scans 95% 345 m/z 0.021% 2.21% 1208 0.9 813 1123380 16451417 15257444 1-1 20: 345 73 346 255 147 347 334 204 191 256 435 419 372 133 257 148 74 348 537 75 1.000 18.86 -4.9 100 100 99 100 537 65.2 0.647 -0.064 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1074 Adenine 18.8827 1851.5 3.0 scans 34% 264 m/z 2.0% 0.00930% 1216 1.3 54 11710 0.0781% 69017 67350 579276 1-0 6: 264 279 265 266 280 192 0.961 18.94 -4.4 90 89 81 92 415 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1072 Fructose 18.9921 1859.9 5.8 scans 95% 221 m/z 0.014% 7.83% 1227 0.9 1151 1607277 58107762 57032462 1-0 20: 221 366 350 220 319 118 305 332 143 114 113 293 311 280 555 159 128 222 367 351 1.000 19.03 -3.1 100 98 99 100 364 134.1 1.362 -0.041 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1070 Fructose 19.1300 1870.4 5.3 scans 88% 73 m/z (175) 0.017% 5.11% 1240 0.4 976 1327951 20.7% 37962109 37220019 153534104 1-3 20: 73 307 217 103 147 308 218 277 309 364 205 133 74 262 117 219 89 189 104 148 0.990 19.19 -4.9 93 94 94 95 554 60.3 0.383 -0.064 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1052 Fructose 19.1300 1870.4 5.3 scans 95% 73 m/z 0.018% 5.38% 1240 0.4 1016 1247540 21.7% 39928625 39148093 160951210 1-3 20: 73 307 217 103 147 308 218 277 309 364 205 133 74 262 117 219 89 189 104 148 0.999 19.10 2.0 100 99 100 100 364 120.6 1.412 0.026 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1056 Glucose 19.2426 1879.0 >5 scans 83% TIC 0.099% 0.800% 1250 0.9 441 238022 23.9% 5939216 5939216 177268844 0-0 0.999 19.33 -6.8 83 82 86 85 364 11.1 0.063 -0.089 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1064 Mannose 19.3615 1888.1 6.3 scans 96% 73 m/z 0.0098% 12.5% 1262 0.3 1423 2388245 13.3% 93337222 91757281 98647516 0-3 20: 73 319 205 147 160 320 217 103 321 206 117 74 157 229 133 148 129 161 189 75 1.000 19.45 -7.1 100 99 99 100 319 559.1 15.482 -0.094 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN BRA4_R~2-N1004 Galactose 19.3615 1888.1 6.3 scans 71% 73 m/z (273 303) 0.0098% 9.48% 1262 0.3 1226 2390814 10.0% 70324207 69133813 74171065 0-3 20: 73 319 205 147 160 320 217 103 321 206 117 74 157 229 133 148 129 161 189 75 0.860 19.36 -0.0 83 97 79 88 364 41.7 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1059 Glucose 19.5730 1904.4 2.9 scans 95% 319 m/z 0.021% 3.14% 1282 0.4 946 1112581 3.23% 23357246 23140310 23957254 1-0 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 129 74 157 204 148 89 207 0.990 19.55 1.7 100 99 98 99 376 40.2 0.181 0.021 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1061 Lysine 19.6277 1908.8 2.8 scans 89% 174 m/z 0.24% 0.252% 1287 1.2 301 96065 2.22% 1873400 1776957 16465976 0-4 20: 174 317 73 156 318 230 128 175 100 147 434 86 200 319 176 74 115 88 59 130 0.997 19.61 1.2 87 81 80 98 434 32.8 1.189 0.015 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7266 1916.8 3.0 scans 83% TIC 0.50% 0.0933% 1296 0.9 174 46311 3.59% 692355 639150 26627412 3-0 0.985 19.79 -5.1 90 89 90 92 434 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN N406_R~2-N1016 Galacturonic acid 19.7866 1921.6 2.5 scans 16% 333 m/z 4.7% 0.00354% 1302 1.2 37 4932 0.0111% 26296 26296 82330 0-0 3: 333 334 335 0.966 19.79 -0.5 90 91 82 92 423 4.7 1.668 -0.006 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1056 Ascorbic acid 19.9139 1931.8 2.9 scans 64% 332 m/z 1.0% 0.0464% 1314 0.9 122 23464 0.0706% 344427 304091 523648 2-4 11: 332 333 359 334 449 387 303 345 149 361 360 0.918 19.99 -5.9 94 93 89 96 449 12.7 1.092 -0.072 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2979 1962.7 2.6 scans 92% 204 m/z 0.058% 0.708% 1351 1.0 500 406399 5253560 5086183 1-1 20: 204 73 191 147 217 205 206 192 218 189 129 74 133 75 148 117 193 305 435 219 0.968 20.41 -9.3 96 94 96 97 217 116.3 5.440 -0.116 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.3042 1963.2 2.7 scans 44% 394 m/z (383) 0.15% 0.354% 1351 0.9 346 149705 2629488 2527174 1-1 20: 394 307 395 333 308 433 277 245 407 359 334 309 278 397 434 408 381 173 162 421 0.997 20.30 0.7 83 80 79 93 433 26.0 0.566 0.008 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN GLAU_R~4-N1011 UNKp_Ntb Sugar 20.3min 1963 20.3042 1963.2 2.7 scans 30% 394 m/z 0.24% 0.243% 1351 0.9 289 97219 1802884 1732733 1-1 20: 394 307 395 333 308 433 277 245 407 359 334 309 278 397 434 408 381 173 162 421 0.359 20.30 0.5 85 89 60 90 433 26.0 0.809 0.006 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1052 Gluconic acid 2 20.5210 1980.6 2.8 scans 35% 292 m/z 5.3% 0.00626% 1372 0.8 56 4416 0.0481% 46465 46465 356763 0-0 5: 292 319 333 293 359 0.814 20.60 -6.1 82 84 69 83 613 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1050 Gluconic acid 20.5736 1984.9 3.1 scans 66% 73 m/z 2.7% 0.0169% 1377 1.0 80 8699 0.126% 125418 124729 934555 0-1 11: 73 333 292 147 334 305 319 204 205 423 218 0.947 20.65 -6.0 86 87 81 86 613 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1048 Galactaric acid 21.0829 2027.0 3.1 scans 60% TIC 4.2% 0.00697% 1425 1.1 59 5515 0.0487% 51717 51717 361213 0-0 0.937 21.15 -5.7 83 82 74 88 627 5.1 0.757 -0.068 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN WTF2-N1038 C16:0 21.1428 2032.0 2.8 scans 77% 313 m/z 1.5% 0.0358% 1431 1.2 110 14895 266096 248537 1-3 19: 313 117 75 314 132 129 145 55 57 328 118 83 131 285 69 315 76 201 269 0.957 20.62 43.7 90 96 93 97 328 12.3 1.233 0.526 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.7121 2079.8 6.5 scans 96% 432 m/z 0.011% 13.3% 1485 0.3 1426 1985989 98958791 98552605 1-0 20: 432 433 434 369 435 509 268 420 370 406 418 173 232 380 405 228 310 323 381 272 0.999 21.75 -3.1 100 99 99 99 507 110.0 0.597 -0.037 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1042 myo-Inositol 21.7184 2080.4 5.6 scans 85% 73 m/z (432) 0.012% 11.3% 1486 0.3 1398 1889816 83821654 79506553 1-1 20: 73 217 305 147 191 318 306 204 265 319 218 307 129 133 192 320 148 74 219 103 0.993 21.77 -4.7 95 96 97 98 318 357.0 6.538 -0.056 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8720 2093.3 3.0 scans 96% 319 m/z 0.070% 0.866% 1500 1.0 508 333591 6429694 6274472 1-1 20: 319 73 205 147 320 217 103 321 262 206 204 117 74 133 229 148 157 291 129 89 0.998 21.93 -4.8 95 92 96 99 656 12.2 0.057 -0.058 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN GUANINE-N1026 Guanine 3TMS STD 22.0193 2105.9 2.6 scans 68% 352 m/z (319) 0.96% 0.0252% 1514 1.2 94 24368 186952 186411 0-2 12: 352 367 353 354 368 264 369 355 265 289 238 99 0.967 22.05 -2.5 95 96 83 97 367 31.0 10.945 -0.030 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1950 2121.2 2.6 scans 91% 396 m/z 0.28% 0.166% 1531 1.0 252 81805 0.225% 1234311 1175828 1668849 1-0 20: 396 219 73 397 381 398 319 220 191 307 382 249 147 293 205 75 74 103 221 308 0.996 22.19 0.7 96 93 90 100 396 103.5 16.814 0.009 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6664 2162.4 3.8 scans 89% 204 m/z 0.42% 0.103% 1576 1.2 160 55540 0.126% 764914 737437 934555 2-1 20: 204 73 205 217 147 249 206 131 191 117 361 75 74 218 250 103 129 145 219 148 0.989 22.71 -4.1 95 92 94 99 518 0.0 0.000 -0.048 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN WTF2-N1036 C18:0 23.3924 2227.0 2.8 scans 82% 341 m/z 1.9% 0.0311% 1645 1.1 101 12118 0.0387% 231194 211664 287042 1-4 19: 341 117 342 132 75 145 129 55 57 356 343 313 201 69 118 297 83 131 97 0.985 22.89 45.2 90 96 92 96 356 13.5 1.790 0.503 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1024 Glycerolgalactose 24.1216 2293.7 2.6 scans 96% 204 m/z 0.061% 0.539% 1714 1.0 445 383164 3998453 3764881 1-3 20: 204 73 147 217 205 337 103 129 206 218 219 338 361 191 133 74 75 131 148 203 1.000 24.18 -5.4 98 97 99 99 581 9.6 0.046 -0.060 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6509 2343.7 3.4 scans 90% 73 m/z 0.27% 0.256% 1764 1.0 276 86888 0.373% 1904666 1874650 2766581 0-2 20: 73 331 147 217 191 421 307 262 205 103 319 332 305 259 422 308 333 376 192 218 0.999 24.65 0.1 97 95 97 99 466 17.5 0.403 0.001 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7413 2352.3 2.7 scans 84% 73 m/z 0.93% 0.0686% 1773 0.8 151 25176 0.291% 508877 441500 2158378 0-3 20: 73 217 204 147 292 375 305 103 219 451 218 205 129 233 376 293 363 275 294 452 0.976 24.81 -6.1 94 94 93 95 451 18.8 1.557 -0.064 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 25.9503 2470.0 3.0 scans 75% TIC 1.7% 0.0174% 1888 1.0 78 13398 0.336% 129775 129065 2492148 1-0 0.977 25.86 9.3 81 77 71 92 361 2.7 0.000 0.094 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3649 2511.6 2.7 scans 96% 204 m/z 0.024% 1.52% 1927 0.8 717 944615 11277560 10701081 1-1 20: 204 73 205 495 147 217 206 496 363 117 129 273 497 191 130 74 103 131 231 75 0.998 26.35 1.6 100 99 99 99 495 141.5 3.929 0.015 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5259 2528.2 >2 scans 68% TIC 1.7% 0.0317% 1943 3.7 111 13491 1.25% 235783 235783 9271383 0-0 0.987 26.57 -4.9 97 96 87 96 512 40.3 13.104 -0.047 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1008 Sucrose 27.4034 2619.5 4.4 scans 79% 361 m/z (450) 0.014% 6.79% 2026 0.3 1215 1685324 50381900 50291973 2-0 20: 361 73 362 217 437 363 147 271 103 438 169 319 129 218 243 191 439 364 452 331 0.980 27.59 -20.0 94 96 94 96 437 192.1 2.506 -0.188 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1014 Sucrose 27.4034 2619.5 4.4 scans 96% 361 m/z 0.0074% 8.24% 2026 0.3 1344 3152610 61117707 61008619 2-0 20: 361 73 362 217 437 363 147 271 103 438 169 319 129 218 243 191 439 364 452 331 0.992 27.49 -9.2 100 100 99 100 437 268.2 4.012 -0.087 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN LQC1-N1006 Trehalose 28.3630 2723.1 2.9 scans 66% 361 m/z 1.4% 0.0205% 2117 1.0 87 16433 0.117% 152343 140822 867801 0-1 11: 361 362 191 363 147 169 192 243 331 129 364 0.963 28.47 -11.8 93 93 86 93 565 0.0 0.000 -0.105 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN GUA35_L1-N1020 Galactinol 30.4758 2964.1 3.3 scans 71% 204 m/z (361) 1.2% 0.0381% 2318 0.9 102 18177 0.128% 283080 282007 949390 0-1 19: 204 217 305 147 205 641 433 319 206 129 103 306 318 218 192 291 169 642 243 0.943 30.55 -8.3 91 93 92 94 641 11.8 1.336 -0.069 G:\GCMS data\Nicotiana Panel polar\N507_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6354 3101.8 4.1 scans 95% 204 m/z 0.30% 0.191% 2428 1.6 209 76385 0.321% 1422267 1391521 2380891 1-3 20: 204 73 217 205 597 361 129 147 103 206 598 191 337 218 219 243 599 362 169 305 0.998 31.68 -4.8 99 98 97 98 597 37.2 3.156 -0.040 G:\GCMS data\Nicotiana Panel polar\N507_REP3.FIN LQC1-N1062 Glucose 19.4109 1891.8 8.6 scans 91% TIC 6.3% 8.56% 1266 4.0 28 2368 85214 84633 0-2 0.977 19.66 -19.3 84 84 71 84 319 11.6 17.457 -0.245 G:\GCMS data\Nicotiana Panel polar\N507_REP3.FIN BRA4_R~2-N1004 Galactose 19.4140 1892.1 9.9 scans 87% 205 m/z 6.5% 5.02% 1266 1.4 27 2275 9.16% 49988 49988 91179 0-0 2: 205 73 0.994 19.36 4.0 85 86 75 85 364 0.0 0.000 0.053 G:\GCMS data\Nicotiana Panel polar\N507_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.7930 2086.6 7.8 scans 92% 217 m/z 8.0% 6.82% 1493 2.3 30 1856 10.6% 67890 67890 105513 0-0 3: 217 305 147 0.995 21.75 3.7 87 88 80 88 507 0.0 0.000 0.044 G:\GCMS data\Nicotiana Panel polar\N507_REP3.FIN LQC1-N1042 myo-Inositol 21.7972 2087.0 6.6 scans 90% TIC 8.0% 8.77% 1493 4.8 29 1860 9.00% 87382 84460 89587 1-0 0.989 21.77 1.9 89 88 81 92 318 8.4 8.278 0.023 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN EXBLK5S-N1006 Contamination 6.6236 1063.2 2.5 scans 60% 207 m/z (181) 1.1% 0.0187% 51 1.8 95 24244 0.0588% 217508 184944 683902 11-5 12: 207 295 208 209 191 296 297 279 193 192 177 210 0.959 6.63 -0.1 96 98 92 98 295 30.2 10.034 -0.001 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8403 1076.1 >8 scans 41% TIC 6.2% 0.00634% 72 1.9 49 4357 0.0610% 73744 73744 709490 0-0 0.917 6.82 1.2 85 79 86 98 295 2.2 0.000 0.019 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1194 Alanine 7.4390 1111.6 10.5 scans 69% TIC 1.0% 0.0420% 129 0.6 92 25686 0.103% 489057 489057 1197992 0-0 0.973 7.40 2.1 96 96 94 96 283 3.1 0.000 0.035 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9399 1141.2 3.0 scans 70% 156 m/z 2.3% 0.0100% 176 1.1 72 11507 0.0138% 117182 112038 160508 1-2 8: 156 75 55 54 157 61 158 74 0.972 7.96 -1.0 98 98 94 98 156 38.6 28.842 -0.017 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1192 Contamination 8.0198 1146.0 2.8 scans 71% 147 m/z 2.8% 0.0107% 184 1.3 76 9429 0.0207% 125582 121060 240761 1-1 14: 147 73 133 220 235 146 160 72 86 59 148 149 89 103 0.970 7.99 1.8 96 97 94 97 235 14.4 3.548 0.031 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN WTF2-N1026 Cadaverine NC 8.2029 1156.8 2.8 scans 75% 174 m/z 1.7% 0.0148% 201 1.3 79 15835 0.0248% 172709 129565 288448 1-5 11: 174 73 175 216 142 86 160 100 130 59 176 0.978 7.74 27.6 95 96 92 99 216 18.3 5.392 0.467 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1188 Contamination 8.3839 1167.6 4.7 scans 76% 281 m/z 2.6% 0.0196% 218 2.0 73 10049 0.0203% 228253 185279 236109 1-13 9: 281 369 147 282 283 370 265 249 371 0.980 8.41 -1.8 98 98 82 99 369 21.3 8.400 -0.031 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1186 Phosphate 8.5701 1178.6 2.5 scans 84% 241 m/z 0.57% 0.0264% 236 1.1 125 47230 307424 305303 0-2 17: 241 242 211 133 163 256 243 135 195 98 137 212 119 181 196 121 164 0.979 8.56 0.6 98 97 94 99 299 0.0 0.000 0.009 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1190 Contamination 8.6554 1183.7 3.5 scans 64% TIC 3.8% 0.00570% 244 1.4 52 7097 0.0439% 66372 60673 510600 0-1 0.952 8.48 10.2 85 83 81 90 309 5.4 1.060 0.171 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1184 Valine 9.1867 1215.0 4.0 scans 75% 144 m/z 1.4% 0.0168% 295 0.6 77 18331 0.0192% 195546 174189 223315 5-2 6: 144 73 218 145 219 146 0.984 9.19 -0.0 98 97 94 98 218 23.4 9.164 -0.001 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1180 Benzoic acid 9.7517 1248.0 3.2 scans 62% 179 m/z 4.4% 0.00701% 348 1.0 54 6032 81612 71766 2-3 8: 179 105 135 77 180 194 106 136 0.849 9.76 -0.5 93 92 88 96 194 8.4 2.437 -0.007 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1178 Ethanolamine 10.0043 1262.8 4.6 scans 66% TIC 1.7% 0.00890% 372 1.2 71 15282 3.31% 103556 103556 38498563 0-0 0.967 10.03 -1.7 98 98 93 98 262 8.2 1.329 -0.030 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN VEN77_S6-N1002 Glycerol 10.1358 1270.5 5.1 scans 98% 299 m/z 0.0064% 4.75% 385 0.3 1179 4187960 55363336 55030067 1-0 20: 299 300 314 73 301 283 133 315 211 207 193 147 191 316 298 225 135 284 74 205 1.000 10.09 2.5 99 98 95 99 299 736.7 39.325 0.042 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2621 1277.9 2.5 scans 89% 73 m/z 0.57% 0.0307% 397 1.0 135 47475 358104 357618 1-0 19: 73 198 211 77 199 74 70 239 381 200 289 143 72 212 92 63 56 104 142 0.989 10.24 1.3 99 98 97 98 381 15.0 1.234 0.022 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1176 Isoleucine 10.4536 1289.1 3.0 scans 29% 158 m/z 1.0% 0.0135% 415 0.9 75 26587 0.0266% 157571 136660 309384 5-0 8: 158 218 159 232 219 160 233 220 0.937 10.46 -0.3 86 87 63 88 260 6.9 0.825 -0.005 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1012 Proline 10.5483 1294.6 3.3 scans 96% 142 m/z 0.0099% 1.71% 424 0.5 850 2713579 1.96% 19958367 18568791 22796732 4-0 20: 142 73 143 147 216 144 141 74 75 59 72 80 66 217 133 100 244 148 218 131 0.998 10.53 0.8 99 98 98 100 216 160.2 3.580 0.015 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1014 Maleic acid 10.6145 1298.5 3.1 scans 93% 147 m/z 0.061% 0.310% 430 0.8 391 438028 2.23% 3615743 3615743 25937098 0-0 20: 147 73 245 148 75 149 83 133 74 246 115 143 170 84 126 59 58 54 215 247 0.997 10.60 0.7 98 97 98 99 245 92.4 5.599 0.013 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1170 Glycine 10.6661 1301.6 >3 scans 63% TIC 0.71% 0.0162% 435 1.5 118 37809 2.51% 189311 189311 29193774 0-0 0.973 10.69 -1.2 96 96 89 96 276 19.5 2.726 -0.021 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7671 1307.7 3.3 scans 95% 147 m/z 0.014% 1.52% 445 0.7 799 1822264 17724338 16883160 2-1 20: 147 73 251 76 148 149 58 132 252 74 177 133 176 150 118 59 253 131 146 62 0.993 10.76 0.6 99 97 96 99 251 194.1 5.931 0.009 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1168 Glyceric acid 11.0354 1323.8 2.8 scans 96% 73 m/z 0.048% 0.770% 470 0.7 619 555485 8963932 8386876 2-1 20: 73 147 292 189 133 205 103 293 190 148 102 307 117 75 294 74 149 59 191 101 0.999 11.05 -1.1 100 99 99 100 292 192.0 9.628 -0.019 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0912 1327.2 >3 scans 61% TIC 8.9% 0.00299% 476 0.9 45 3020 0.525% 34820 34396 6106268 0-1 0.971 11.06 1.7 90 90 84 95 285 13.3 8.793 0.028 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1018 Uracil 11.1480 1330.6 2.7 scans 61% 241 m/z 6.1% 0.00463% 481 1.5 49 4442 0.00475% 53904 52206 55247 0-3 6: 241 255 99 256 242 113 0.954 11.15 -0.0 96 95 89 99 256 16.0 10.846 -0.000 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1164 Itaconic acid 11.2280 1335.4 2.7 scans 79% 147 m/z 1.0% 0.0209% 489 1.0 106 26943 0.0213% 243448 229289 247740 3-1 18: 147 73 148 259 75 215 149 97 74 67 133 230 141 83 68 98 216 72 0.953 11.25 -1.5 94 93 94 98 259 20.3 3.680 -0.024 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1162 Fumaric acid 11.3742 1344.2 2.6 scans 98% 245 m/z 0.063% 0.329% 503 0.8 420 424390 3828105 3827587 1-0 20: 245 147 73 246 75 143 247 83 133 148 115 149 74 155 84 53 61 59 58 157 1.000 11.39 -1.1 100 99 98 100 245 234.5 31.311 -0.019 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4647 1349.7 3.3 scans 33% 57 m/z 1.1% 0.0204% 511 1.1 95 22850 0.0439% 237604 233285 510600 1-0 15: 57 97 145 115 127 56 129 69 111 109 59 128 71 72 98 0.963 11.45 1.2 89 87 91 96 145 28.4 8.945 0.019 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4847 1350.9 >3 scans 80% TIC 0.23% 0.0987% 513 0.6 213 114867 0.488% 1148113 1138737 5675921 1-0 0.908 10.96 31.9 95 96 97 99 161 51.4 5.855 0.529 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1020 Serine 11.5142 1352.6 5.5 scans 91% TIC 0.21% 0.155% 516 1.1 274 128685 0.557% 1803415 1674704 6478459 0-2 1.000 11.51 0.0 100 99 99 100 306 27.4 1.001 0.001 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1160 Serine 11.5152 1352.7 2.6 scans 88% 204 m/z (84) 0.21% 0.135% 516 0.9 269 127646 1579207 1429227 4-1 20: 204 73 218 205 147 100 219 278 188 206 74 75 220 306 116 189 59 216 148 279 0.995 11.56 -2.5 98 99 98 99 306 25.9 0.926 -0.042 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1022 Thymine 11.6004 1357.8 3.0 scans 39% 255 m/z 5.5% 0.00253% 524 1.1 35 4875 29459 27696 1-1 3: 255 270 256 0.679 11.60 0.0 96 97 76 98 270 13.5 14.726 0.001 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1024 Threonine 11.9245 1377.3 2.5 scans 95% 73 m/z 0.20% 0.162% 555 1.0 303 131707 1891688 1780547 1-6 20: 73 218 219 117 291 292 147 101 220 100 57 75 293 203 74 128 133 320 202 221 0.999 11.92 0.2 100 99 99 100 320 29.2 0.926 0.004 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1150 Citrulline 13.0335 1446.1 3.5 scans 70% TIC 2.6% 0.0268% 660 1.1 94 10276 311839 270020 2-2 0.901 13.08 -2.7 93 94 87 96 258 11.5 1.504 -0.042 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2882 1462.2 >3 scans 62% TIC 2.8% 0.00776% 684 0.8 79 9363 0.116% 90290 90290 1349194 0-0 0.965 13.31 -1.1 95 94 90 96 349 9.4 1.410 -0.018 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1148 Glutamine?? 13.3208 1464.2 3.2 scans 85% TIC 0.49% 0.0484% 688 0.5 144 55159 0.118% 562953 562953 1372456 0-0 0.986 13.35 -1.7 91 87 94 98 257 11.7 0.656 -0.026 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1146 Malic acid 13.6154 1482.8 6.4 scans 98% 147 m/z 0.010% 6.83% 716 0.2 1278 2622725 79547046 79456889 1-0 20: 147 73 233 245 133 189 190 335 148 191 175 75 234 149 217 307 265 101 55 246 1.000 13.62 -0.0 100 100 100 100 350 34.6 0.073 -0.002 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1142 Erythritol/Threitol 13.7238 1489.6 2.7 scans 82% TIC 0.98% 0.0265% 726 1.1 131 27408 5.97% 308651 308651 69436985 0-0 0.970 13.89 -10.5 95 94 95 97 320 10.2 0.602 -0.166 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7943 1494.0 4.6 scans 68% 115 m/z (73) 2.4% 0.0283% 733 0.5 94 10999 0.0335% 330255 322317 389638 0-7 9: 115 243 100 128 244 116 201 215 158 0.948 13.81 -0.8 93 95 90 95 243 36.9 15.502 -0.012 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0384 1509.9 2.3 scans 38% 232 m/z (73) 0.11% 0.126% 756 1.0 268 239003 0.128% 1470295 1350547 1488766 1-1 18: 232 233 218 100 234 202 188 216 219 306 334 292 220 130 204 203 349 174 0.980 14.02 1.4 92 93 88 97 258 7.1 0.000 0.021 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1140 Aspartic acid 14.0426 1510.2 >2 scans 73% 73 m/z 0.11% 0.248% 756 0.9 370 244714 0.646% 2889064 2761369 7513617 1-0 20: 73 75 74 133 148 59 149 190 115 70 119 134 262 98 135 102 150 146 173 116 0.998 14.09 -2.9 100 99 99 100 349 20.0 0.292 -0.044 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0805 1512.7 3.3 scans 91% 156 m/z 0.031% 0.674% 760 0.4 528 855550 7848462 7806617 1-0 16: 156 147 258 230 157 158 231 148 72 140 59 259 58 112 121 55 0.987 14.11 -2.0 100 99 98 99 273 23.5 0.199 -0.030 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1032 GABA 14.2025 1520.8 2.7 scans 91% 174 m/z 0.11% 0.239% 771 1.0 348 242721 0.244% 2782470 2659615 2837961 1-1 20: 174 304 73 147 175 305 176 75 86 59 216 306 246 143 133 172 100 130 74 148 0.990 14.19 1.0 100 99 98 99 304 105.1 9.115 0.015 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6213 1548.6 2.5 scans 96% 73 m/z 0.049% 0.619% 811 0.9 602 544817 7209773 6982901 1-1 20: 73 292 147 220 205 293 217 117 103 221 294 133 148 319 74 291 149 75 102 206 0.990 14.69 -4.6 100 99 99 100 409 45.8 0.580 -0.071 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7497 1557.1 2.9 scans 80% 174 m/z 0.12% 0.176% 823 1.0 294 213522 2053886 1991360 1-1 20: 174 73 175 86 176 250 91 100 59 130 74 251 65 117 121 162 101 87 131 116 0.973 14.16 38.8 90 92 89 99 250 55.2 3.529 0.585 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1126 Pyrazine 15.0790 1578.9 2.8 scans 83% TIC 1.0% 0.0361% 855 1.1 138 25106 420736 420736 0-0 0.946 15.13 -3.5 99 98 96 98 344 42.1 9.262 -0.053 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3852 1599.2 3.1 scans 72% TIC 0.79% 0.0251% 884 2.2 107 33886 0.126% 292100 238494 1465504 0-2 0.957 15.44 -3.8 95 95 92 96 393 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1120 Glutamic acid 15.5062 1607.6 2.4 scans 85% 246 m/z 0.67% 0.0301% 895 1.1 137 40206 350862 348965 0-1 18: 246 73 247 128 147 248 348 230 156 84 100 363 218 149 56 349 129 258 0.981 15.56 -3.7 99 98 96 98 363 14.3 1.092 -0.054 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1118 Phenylalanine 15.6104 1614.8 2.6 scans 47% 218 m/z 0.81% 0.0353% 905 1.2 137 33354 410889 402045 0-2 8: 218 192 219 266 91 100 220 65 0.698 15.66 -3.4 87 92 78 93 294 10.2 0.554 -0.049 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1038 Xylose 15.8945 1634.5 >3 scans 70% TIC 2.1% 0.0150% 932 1.3 87 12848 0.0288% 174711 174711 334972 0-0 0.968 15.89 0.3 85 79 82 97 307 22.5 6.675 0.004 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1040 Xylose 16.0091 1642.5 2.7 scans 53% 103 m/z (271) 0.52% 0.0602% 943 1.1 180 52013 0.0888% 700440 676851 1032832 1-1 20: 103 307 217 189 308 160 277 218 204 309 117 205 104 129 89 219 105 233 234 278 0.943 16.00 0.4 91 92 90 98 307 51.7 8.230 0.005 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1042 Ribose 16.1070 1649.3 2.7 scans 82% TIC 0.81% 0.0384% 952 0.9 146 33348 0.220% 446739 406763 2558817 2-0 0.988 16.10 0.3 95 92 94 99 307 43.4 8.850 0.004 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1108 Ribose 16.1070 1649.3 2.7 scans 82% 73 m/z 0.80% 0.0400% 952 1.0 146 33509 0.137% 465657 462330 1593445 2-0 20: 73 103 307 217 147 308 189 160 218 277 309 74 133 104 233 205 89 219 117 105 0.991 16.38 -18.6 94 92 93 96 467 0.0 0.000 -0.268 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.2291 1657.8 3.0 scans 24% 290 m/z 2.8% 0.00530% 964 1.9 47 9418 61654 56172 2-2 4: 290 291 292 158 0.614 16.28 -3.3 88 87 52 93 392 8.1 2.982 -0.047 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6184 1684.8 2.7 scans 87% 73 m/z 0.49% 0.0641% 1001 1.1 200 54259 0.0950% 746288 746288 1104944 0-0 20: 73 307 319 147 217 103 308 320 205 306 129 321 218 309 277 243 229 133 117 74 0.995 16.68 -4.0 100 99 99 100 497 4.9 0.060 -0.058 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1104 Rhamnose 16.8783 1703.0 3.1 scans 71% TIC 1.4% 0.0183% 1026 1.0 101 18924 0.0930% 213162 198670 1081682 1-0 0.969 16.93 -3.9 86 85 88 89 392 10.0 0.981 -0.054 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9309 1706.9 3.1 scans 70% 73 m/z 1.1% 0.0288% 1031 1.2 133 24359 0.339% 335904 335904 3942904 0-0 19: 73 217 147 205 319 103 307 320 129 204 133 74 148 189 243 317 219 309 191 0.963 16.99 -4.2 94 94 93 95 422 5.0 0.141 -0.058 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9993 1711.8 3.4 scans 82% TIC 0.95% 0.0461% 1037 1.5 143 28390 0.473% 536408 535104 5501456 0-1 0.984 17.06 -4.7 96 95 93 95 510 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1044 Putrescine 17.1939 1726.1 2.9 scans 57% 174 m/z (73) 0.24% 0.0661% 1056 1.2 176 109029 769467 760950 0-1 17: 174 175 214 176 172 86 200 361 100 130 146 142 362 126 187 114 363 0.911 17.19 0.5 94 95 87 99 376 13.2 0.561 0.006 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1096 Putrescine 17.1939 1726.1 2.9 scans 52% 174 m/z 0.24% 0.0596% 1056 1.2 168 109430 693275 685601 0-1 17: 174 175 214 176 172 86 200 361 100 130 146 142 362 126 187 114 363 0.980 17.25 -3.9 97 96 95 98 458 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3823 1739.8 2.9 scans 67% 333 m/z 1.0% 0.0369% 1074 1.1 136 26928 0.0376% 429930 428131 437325 1-1 20: 333 292 217 103 307 334 335 293 308 319 294 393 218 277 309 219 129 149 511 305 0.969 17.44 -4.5 97 98 95 97 511 9.7 0.504 -0.061 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5738 1753.8 2.9 scans 95% TIC 0.058% 0.399% 1092 0.8 443 466230 0.502% 4643204 4398430 5838755 0-1 0.999 17.63 -4.2 97 95 97 98 450 53.8 1.477 -0.058 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7053 1763.4 >2 scans 32% TIC 3.5% 0.00381% 1104 1.3 91 7718 0.0992% 44411 44411 1153794 0-0 0.946 17.70 0.5 90 90 79 91 375 12.4 1.862 0.006 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1086 Fructofuranose 18.0725 1790.2 >5 scans 86% TIC 0.25% 0.160% 1139 1.3 247 104687 0.850% 1868248 1868248 9886338 0-0 0.995 18.13 -4.4 93 91 93 94 437 71.8 8.465 -0.061 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1046 Shikimic acid 18.1378 1794.9 3.2 scans 55% 204 m/z (191) 0.27% 0.108% 1145 0.9 208 98809 0.140% 1260522 1097500 1628338 4-4 17: 204 206 357 255 254 372 462 447 358 282 373 256 331 283 267 167 463 0.980 18.13 0.9 90 89 87 98 372 25.5 1.504 0.013 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1084 Shikimic acid 18.1378 1794.9 3.2 scans 37% 204 m/z 0.27% 0.0704% 1145 0.9 172 99091 0.0913% 819903 713866 1061909 4-4 17: 204 206 357 255 254 372 462 447 358 282 373 256 331 283 267 167 463 0.761 18.20 -4.3 97 96 90 99 462 18.1 1.110 -0.059 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1082 Citric acid 18.2566 1803.8 3.2 scans 89% TIC 0.12% 0.377% 1157 1.2 422 223856 0.861% 4385027 4362056 10014279 0-1 0.975 18.32 -4.9 99 97 96 99 465 62.6 2.203 -0.064 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.6007 1830.0 5.3 scans 83% 73 m/z 0.68% 0.0913% 1189 1.2 168 39359 1.20% 1062599 1059348 13957183 2-0 17: 73 217 191 147 319 129 192 320 305 74 201 321 193 75 103 190 332 0.990 18.67 -5.3 88 87 89 90 319 33.2 3.881 -0.068 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1076 Pregnane?? 18.8038 1845.5 4.2 scans 97% 345 m/z 0.015% 2.96% 1209 0.9 1002 1753334 34525851 33200540 1-1 20: 345 73 346 255 147 347 334 204 256 191 435 419 372 133 257 348 74 148 239 537 1.000 18.86 -4.2 100 100 100 100 537 80.3 0.645 -0.054 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1072 Fructose 18.9911 1859.8 9.0 scans 96% 73 m/z 0.016% 4.52% 1227 0.6 1158 1613143 14.1% 52624001 51825140 163996899 1-0 20: 73 307 103 217 147 308 277 218 309 133 364 205 74 189 104 117 219 89 278 75 1.000 19.03 -3.2 100 98 99 99 364 136.9 1.404 -0.042 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1050 Fructose 19.0342 1863.1 >4 scans 92% 73 m/z 0.017% 3.60% 1231 0.8 1126 1510821 13.2% 41905377 41905377 153529012 0-0 20: 73 307 217 103 147 308 277 218 133 364 205 189 74 117 104 219 89 75 191 148 1.000 18.98 4.1 100 99 100 100 364 134.1 1.425 0.054 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1052 Fructose 19.1615 1872.8 8.1 scans 94% 73 m/z 0.018% 5.92% 1243 0.3 1108 1426776 23.9% 68970105 68970105 277980560 0-0 20: 73 307 217 103 147 308 218 277 309 364 205 74 262 133 89 219 117 148 104 191 0.999 19.10 4.4 100 99 99 100 364 133.6 1.460 0.058 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1068 Galactopyranose 19.2489 1879.5 >5 scans 47% 204 m/z 0.087% 0.283% 1251 1.4 341 308715 2.54% 3298227 3298227 29542704 0-0 11: 204 191 192 206 129 435 193 203 243 361 219 0.955 19.32 -5.0 97 96 91 97 435 29.8 0.769 -0.066 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1064 Mannose 19.3625 1888.1 12.1 scans 96% 320 m/z 0.011% 15.1% 1262 1.3 1382 2329279 17.3% 175864444 168347661 201216054 7-1 11: 320 317 364 269 164 376 344 345 302 99 482 0.990 19.45 -7.1 100 99 97 99 319 549.4 15.852 -0.092 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1066 Glucose 19.3730 1888.9 12.1 scans 30% 319 m/z (73) 0.011% 4.88% 1263 0.9 778 2308173 5.13% 56844735 54934151 59666957 3-1 11: 319 291 365 464 234 209 126 172 358 240 235 0.776 19.40 -2.0 83 89 42 87 319 546.9 49.761 -0.026 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN BRA4_R~2-N1004 Galactose 19.4235 1892.8 11.5 scans 86% 73 m/z 0.0097% 2.65% 1268 1.9 1332 2783571 13.2% 30918617 28668348 153529012 0-2 20: 73 205 147 160 103 217 117 74 206 129 133 75 157 89 229 148 59 189 161 207 0.996 19.36 4.7 97 95 96 98 364 55.2 0.000 0.063 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1062 Glucose 19.6150 1907.8 4.0 scans 95% 73 m/z 0.012% 5.07% 1286 0.4 1347 2209964 59015715 59004209 1-0 20: 73 319 205 147 160 320 103 217 321 206 133 117 74 129 229 157 148 204 189 161 0.991 19.66 -3.3 99 98 98 99 319 535.2 15.844 -0.041 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1060 Lysine 19.6487 1910.5 3.8 scans 54% 174 m/z (73) 0.72% 0.0893% 1289 0.8 174 37634 0.146% 1039768 981006 1698124 0-1 7: 174 317 318 156 434 435 436 0.987 19.69 -3.6 87 86 76 94 479 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7371 1917.6 3.0 scans 56% 319 m/z 2.1% 0.0148% 1297 1.1 103 12395 0.0727% 172787 170020 845573 1-0 10: 319 205 217 147 320 321 103 117 206 308 0.957 19.79 -4.3 86 87 79 89 434 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN N406_R~2-N1016 Galacturonic acid 19.7960 1922.3 2.6 scans 22% 333 m/z 2.4% 0.00597% 1303 1.3 59 11232 0.0103% 69461 63947 119799 1-2 5: 333 160 334 335 364 0.955 19.79 0.2 95 96 87 97 423 7.4 1.586 0.003 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.3074 1963.5 2.6 scans 97% 204 m/z 0.028% 1.01% 1351 0.8 728 957208 11812205 11520067 1-1 20: 204 73 191 147 217 205 206 192 129 189 103 218 74 133 193 148 75 435 305 117 1.000 20.41 -8.5 97 95 98 97 217 164.9 5.154 -0.107 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1052 Gluconic acid 2 20.5262 1981.0 2.8 scans 74% TIC 1.0% 0.0290% 1372 0.9 141 25116 0.194% 337840 337840 2256411 0-0 0.983 20.60 -5.7 92 91 92 91 613 4.7 0.109 -0.071 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1050 Gluconic acid 20.5778 1985.2 2.7 scans 75% 73 m/z 1.3% 0.0270% 1377 1.5 124 19918 0.155% 315133 313800 1802803 0-1 20: 73 333 292 147 319 334 305 217 359 205 103 293 294 335 277 433 435 148 306 189 0.970 20.65 -5.7 97 96 91 96 613 5.9 0.225 -0.070 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1054 Gluconic acid 3 20.7462 1998.7 4.0 scans 64% TIC 1.3% 0.0258% 1393 1.0 113 20204 0.0983% 300848 300848 1143326 0-0 0.887 20.55 15.8 86 91 79 89 613 4.0 0.124 0.197 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1048 Galactaric acid 21.0860 2027.2 3.0 scans 70% 333 m/z 2.9% 0.0119% 1426 1.0 74 9162 0.0120% 139215 125467 139572 3-2 10: 333 292 334 147 335 423 305 277 447 293 0.966 21.15 -5.5 93 93 89 93 627 6.4 0.734 -0.065 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN WTF2-N1038 C16:0 21.1512 2032.7 2.7 scans 79% 313 m/z 1.8% 0.0216% 1432 1.1 107 14716 251580 231483 1-3 16: 313 117 75 132 314 129 145 55 328 57 69 201 97 285 133 67 0.964 20.62 44.4 90 97 93 96 328 12.6 1.391 0.534 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.7058 2079.3 7.0 scans 100% 433 m/z 0.013% 9.24% 1484 0.2 1419 2042386 107519393 107255128 1-0 8: 433 434 435 396 417 614 332 422 0.998 21.75 -3.6 100 99 99 99 507 108.8 0.590 -0.043 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN INOSIT~1-N1022 myo-Inositol 21.7194 2080.5 6.9 scans 10% 432 m/z (305) 0.11% 1.05% 1486 0.2 483 244613 12270163 12245674 1-0 20: 432 393 308 395 392 309 268 420 417 99 421 224 114 409 272 281 377 226 236 210 0.550 21.74 -1.8 94 97 86 98 507 108.9 5.091 -0.022 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1044 myo-Inositol 21.7247 2080.9 6.7 scans 21% 320 m/z (305) 0.059% 1.98% 1486 0.2 673 458385 23143966 23034500 1-0 20: 320 74 222 130 223 344 194 277 163 271 81 244 141 150 144 53 83 381 176 257 0.688 21.77 -3.5 82 90 48 88 612 38.9 0.335 -0.042 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1042 myo-Inositol 21.7247 2080.9 6.7 scans 86% 320 m/z (432) 0.013% 8.14% 1486 0.2 1363 1975842 94785712 94337396 1-0 20: 320 74 222 130 223 344 194 277 163 271 81 244 141 150 144 53 83 381 176 257 0.971 21.77 -4.2 93 97 94 96 318 363.1 7.115 -0.049 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8773 2093.7 3.0 scans 97% 319 m/z 0.045% 0.979% 1501 0.8 661 598476 11395918 10920964 0-3 20: 319 73 205 147 320 217 321 262 103 206 117 204 229 74 157 133 376 148 89 129 0.997 21.93 -4.4 94 91 95 99 656 15.9 0.058 -0.053 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2013 2121.8 2.7 scans 95% 396 m/z 0.13% 0.305% 1532 0.9 403 195538 0.386% 3553839 3553839 4489561 0-0 20: 396 219 73 397 319 381 398 307 220 191 147 205 382 320 103 249 293 75 74 217 1.000 22.19 1.3 93 88 86 100 396 159.2 15.585 0.015 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6622 2162.0 3.6 scans 92% 204 m/z 0.33% 0.0909% 1575 1.3 194 82099 1058158 1007605 1-2 20: 204 73 205 147 217 249 206 131 75 103 133 189 362 148 305 219 149 207 271 291 0.994 22.71 -4.5 95 92 94 99 518 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN BRA4_R~4-N1012 Spermidine 22.9011 2182.9 3.3 scans 37% 200 m/z 13% 0.00363% 1598 2.1 38 1981 42288 38542 1-2 5: 200 174 201 86 172 0.775 22.90 0.1 91 97 78 97 418 7.0 3.468 0.001 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN WTF2-N1036 C18:0 23.3935 2227.1 3.0 scans 78% 341 m/z 2.5% 0.0187% 1645 1.5 91 10655 0.0210% 218303 188612 244251 1-4 14: 341 117 132 342 75 145 356 55 57 118 343 69 201 56 0.978 22.89 45.3 89 96 90 96 356 13.0 2.052 0.504 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1174 2293.3 2.6 scans 79% 204 m/z 1.1% 0.0194% 1714 1.3 106 24030 0.0371% 225729 210010 431510 2-0 15: 204 73 147 337 205 217 206 103 338 129 219 426 361 249 133 0.987 24.01 9.8 91 88 91 95 490 0.0 0.000 0.107 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6488 2343.5 3.2 scans 93% 73 m/z 0.17% 0.314% 1764 0.8 370 155073 0.399% 3659633 3659179 4640763 0-1 20: 73 147 331 191 217 421 205 307 262 103 319 332 305 259 422 308 333 204 192 74 0.999 24.65 -0.1 96 93 96 99 466 23.0 0.386 -0.001 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7403 2352.2 2.7 scans 87% 73 m/z 0.94% 0.0537% 1773 0.7 165 28785 0.282% 624832 563449 3279938 0-3 20: 73 217 204 147 292 375 305 103 219 451 293 218 205 129 376 363 452 377 233 74 0.993 24.81 -6.2 97 96 96 96 451 20.2 1.509 -0.065 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3512 2510.1 2.7 scans 92% TIC 0.25% 0.107% 1926 0.9 244 108363 0.291% 1252255 1169466 3384617 3-1 0.999 26.35 0.1 98 97 97 97 495 46.4 3.628 0.001 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5290 2528.5 3.1 scans 76% TIC 1.7% 0.0308% 1943 1.0 119 15489 0.257% 358588 322204 2989163 0-5 0.974 26.57 -4.6 97 97 89 97 512 44.8 14.205 -0.044 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN WTF2-N1032 Sucrose 26.6469 2540.7 2.8 scans 59% 361 m/z 6.2% 0.00591% 1954 1.0 58 4320 68782 64215 0-1 7: 361 437 217 273 362 363 438 0.913 26.87 -23.0 88 90 78 91 451 7.0 1.457 -0.223 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1020 Sucrose 27.4066 2619.8 13.6 scans 9.9% 437 m/z (361) 0.047% 1.44% 2026 2.3 427 568423 16787027 16300542 1-1 16: 437 451 438 439 452 175 441 144 317 294 433 261 125 202 434 264 0.814 27.46 -5.8 94 96 96 97 437 271.4 40.616 -0.054 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1010 Sucrose 27.4066 2619.8 13.6 scans 99% 437 m/z 0.0083% 14.1% 2026 2.3 1354 3241710 165015770 160233650 1-1 16: 437 451 438 439 452 175 441 144 317 294 433 261 125 202 434 264 0.998 27.58 -18.4 100 99 98 99 437 268.1 3.947 -0.172 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1018 Sucrose 27.4129 2620.5 13.6 scans 46% 361 m/z (217) 0.0083% 6.86% 2027 1.8 936 3241710 7.35% 79792075 77151751 85487745 1-0 14: 361 362 363 364 320 435 293 247 449 292 173 442 343 310 0.953 27.47 -6.0 83 85 53 85 437 271.4 8.479 -0.057 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1014 Sucrose 27.4181 2621.0 13.7 scans 92% TIC 0.0083% 13.9% 2027 1.7 1328 3241710 15.0% 161902401 155664583 174464786 2-0 1.000 27.49 -7.7 100 99 99 100 437 269.1 4.141 -0.072 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1016 Sucrose 27.4192 2621.2 13.7 scans 44% 217 m/z (361) 0.027% 6.80% 2027 1.6 917 995186 7.42% 79114577 76162872 86301914 2-0 20: 217 218 319 129 219 191 229 257 130 230 215 345 450 305 259 157 333 131 220 203 0.945 27.48 -6.1 86 86 91 94 437 16.4 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1008 Sucrose 27.4581 2625.3 13.2 scans 100% 103 m/z 0.0091% 13.9% 2031 0.6 1355 2977113 161751959 161558403 2-0 12: 103 75 423 307 204 424 425 206 308 309 306 539 0.999 27.59 -14.2 100 98 97 99 437 245.8 3.308 -0.133 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN TAB_REP6-N1070 Sucrose 27.5044 2630.2 >2 scans 61% 361 m/z (73) 0.015% 1.33% 2036 2.1 1007 1694128 9.71% 15532517 15532517 112936872 0-0 20: 361 217 362 271 147 363 243 218 169 319 191 219 204 205 189 331 272 230 229 245 0.939 27.41 10.1 94 95 90 97 451 81.7 0.000 0.094 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN LQC1-N1006 Trehalose 28.3925 2726.4 2.9 scans 81% 361 m/z 0.67% 0.0330% 2120 1.0 142 40435 0.126% 384787 379035 1465504 0-2 19: 361 362 73 191 217 363 147 271 103 129 169 364 331 243 218 305 189 245 74 0.995 28.47 -8.5 97 96 93 98 565 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel polar\N507_REP4.FIN GUA35_L1-N1020 Galactinol 30.4769 2964.2 3.3 scans 81% 204 m/z 1.6% 0.0196% 2318 1.2 97 16101 0.0899% 228146 214436 1045626 0-4 20: 204 217 191 205 147 305 433 206 361 129 218 641 148 306 103 192 642 243 343 319 0.930 30.55 -8.2 91 91 89 94 641 9.5 0.972 -0.068 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN EXBLK5S-N1006 Contamination 6.3900 1049.4 4.2 scans 53% 207 m/z 2.6% 0.0264% 29 1.2 61 10339 0.0460% 235319 134010 408498 9-12 7: 207 295 209 208 191 296 297 0.967 6.63 -13.9 96 96 87 96 295 20.2 10.923 -0.235 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1194 Alanine 7.4601 1112.8 >15 scans 62% TIC 2.5% 0.0337% 131 1.4 68 10545 0.0805% 299785 298540 714871 1-0 0.945 7.40 3.3 82 79 81 91 283 0.0 0.000 0.056 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN A-KETO~2-N1006 Contamination?? 8.0020 1144.9 2.9 scans 74% 156 m/z 2.8% 0.0111% 182 1.2 69 9714 0.0151% 99297 97671 134094 1-3 6: 156 75 55 157 54 61 0.979 7.96 2.7 97 96 94 98 156 36.2 27.483 0.045 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1192 Contamination 8.0788 1149.5 3.1 scans 55% 73 m/z 6.5% 0.00769% 190 2.0 49 4130 0.0209% 68353 58710 185600 0-3 7: 73 147 133 220 235 174 59 0.893 7.99 5.3 89 90 82 89 235 9.7 3.856 0.090 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN WTF2-N1026 Cadaverine NC 8.2114 1157.3 3.5 scans 60% 174 m/z (142) 2.9% 0.0138% 202 0.8 58 9120 0.0180% 122726 92896 159847 0-4 7: 174 175 216 86 130 176 160 0.959 7.74 28.1 91 96 86 96 216 14.4 6.081 0.475 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1188 Contamination 8.3924 1168.1 3.5 scans 81% 281 m/z 1.9% 0.0316% 219 1.7 87 13905 0.0358% 281094 212661 317918 7-5 16: 281 73 147 369 282 283 370 249 265 371 267 207 148 193 266 251 0.996 8.41 -1.3 99 98 83 99 369 24.8 8.113 -0.023 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1186 Phosphate 8.6154 1181.3 2.5 scans 76% 241 m/z 1.2% 0.0175% 240 1.2 89 22537 155737 151923 1-1 15: 241 242 163 211 243 133 256 195 135 89 59 98 212 137 107 0.947 8.56 3.3 98 97 92 98 299 0.0 0.000 0.054 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1184 Valine 9.2247 1217.2 5.4 scans 76% 144 m/z 1.6% 0.0239% 298 0.3 74 16508 0.0290% 213125 207102 257531 0-5 8: 144 73 218 145 219 146 100 74 0.979 9.19 2.2 98 97 93 97 218 22.5 9.245 0.037 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1180 Benzoic acid 9.7855 1250.0 3.4 scans 70% 179 m/z 5.6% 0.00877% 352 0.6 49 4848 77963 68428 16-1 5: 179 105 135 77 180 0.873 9.76 1.5 94 93 87 96 194 6.6 1.837 0.026 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1178 Ethanolamine 10.0159 1263.5 5.3 scans 46% 174 m/z (147) 2.6% 0.0150% 373 1.2 59 10425 0.0608% 133808 133808 539927 0-0 5: 174 201 175 100 117 0.957 10.03 -1.0 84 85 77 92 262 6.4 1.171 -0.018 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN VEN77_S6-N1002 Glycerol 10.1643 1272.2 5.8 scans 98% 299 m/z 0.0066% 6.89% 388 0.4 1203 4115846 61232307 61225149 1-0 20: 299 300 314 73 283 133 211 207 193 191 147 135 225 298 74 75 205 115 181 131 1.000 10.09 4.2 99 98 95 99 299 745.5 38.641 0.070 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2758 1278.7 2.6 scans 61% 73 m/z 3.5% 0.00588% 398 1.0 51 7696 0.812% 52237 44924 7210869 2-3 6: 73 198 77 211 199 70 0.936 10.24 2.1 90 90 85 91 381 5.3 1.084 0.036 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1176 Isoleucine 10.4747 1290.3 3.2 scans 31% 158 m/z 0.72% 0.0277% 417 0.7 93 37699 0.0523% 246760 208852 464444 4-0 13: 158 218 159 232 219 160 100 128 233 132 220 260 203 0.958 10.46 0.9 88 88 65 88 260 9.3 0.991 0.016 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1012 Proline 10.5673 1295.7 2.9 scans 96% 142 m/z 0.015% 1.52% 426 0.4 712 1772085 1.83% 13543690 12680809 16251097 5-0 20: 142 73 143 147 216 144 75 72 74 59 66 217 133 148 100 244 218 58 101 170 0.997 10.53 1.9 99 98 98 100 216 130.7 3.384 0.034 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6378 1299.9 3.1 scans 94% 147 m/z 0.073% 0.367% 433 0.7 377 370724 2.29% 3266686 3266686 20336072 0-0 20: 147 73 245 148 75 149 83 74 133 115 246 143 84 59 170 58 126 215 72 54 0.999 10.60 2.1 99 98 98 99 245 87.7 5.428 0.036 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1170 Glycine 10.6904 1303.0 >4 scans 54% TIC 1.4% 0.0119% 438 1.0 90 19026 2.08% 106319 106319 18471192 0-0 0.965 10.69 0.2 95 95 90 96 276 14.0 2.390 0.003 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7840 1308.7 3.3 scans 96% 147 m/z 0.020% 1.55% 446 0.7 705 1319849 13766484 13455572 1-1 19: 147 73 251 76 148 149 58 132 74 252 133 177 150 176 59 118 62 72 175 0.990 10.76 1.6 99 97 96 99 251 164.3 5.449 0.026 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1168 Glyceric acid 11.0481 1324.6 2.7 scans 96% 73 m/z 0.085% 0.522% 472 0.8 458 318953 4637768 4329751 4-1 20: 73 147 292 189 133 103 205 293 102 117 190 307 75 148 74 294 59 149 101 191 1.000 11.05 -0.3 100 99 99 100 292 135.2 8.709 -0.006 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.1133 1328.5 2.8 scans 50% 184 m/z 15% 0.00285% 478 1.0 34 1768 0.0105% 25307 25307 93244 0-0 4: 184 285 134 174 0.971 11.06 3.0 84 85 76 90 285 12.0 12.282 0.050 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1018 Uracil 11.1660 1331.7 2.6 scans 47% 241 m/z 12% 0.00253% 483 1.2 33 2193 0.00294% 22497 22497 26108 0-0 5: 241 255 99 256 242 0.953 11.15 1.1 90 90 89 94 256 11.7 12.403 0.018 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1164 Itaconic acid 11.2428 1336.3 2.6 scans 77% 147 m/z 1.5% 0.0193% 490 1.0 90 18050 171421 150287 6-1 12: 147 148 259 215 149 97 230 133 141 67 98 83 0.951 11.25 -0.6 89 87 91 96 259 17.2 3.654 -0.009 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1162 Fumaric acid 11.3880 1345.0 2.4 scans 98% 245 m/z 0.078% 0.337% 504 0.7 399 345989 2993396 2975741 1-0 20: 245 147 73 246 75 143 247 83 148 133 149 115 74 155 84 53 59 58 61 157 0.999 11.39 -0.3 99 98 97 99 245 216.1 29.367 -0.005 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4764 1350.4 3.7 scans 49% 57 m/z 1.6% 0.0192% 512 0.8 79 16449 0.0430% 170820 170820 381856 0-0 13: 57 97 115 145 127 129 69 59 111 109 128 71 98 0.982 11.45 1.9 86 83 85 94 145 23.1 8.515 0.030 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN WTF2-N1024 Contamination 10.96min 11.5027 1351.9 3.1 scans 69% 84 m/z (204) 0.29% 0.104% 515 1.2 193 91476 926741 884773 3-2 18: 84 133 162 161 50 119 92 51 65 82 118 78 85 63 91 64 104 52 0.975 10.96 32.9 89 92 97 99 161 44.9 5.440 0.547 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1020 Serine 11.5269 1353.4 2.6 scans 81% 204 m/z 0.23% 0.161% 517 1.0 268 117286 1432960 1289306 4-1 20: 204 73 218 205 147 100 219 278 206 75 74 116 306 220 59 72 174 114 279 216 0.993 11.51 0.8 100 99 98 100 306 27.8 1.070 0.014 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN BRA4_R~2-N1008 Thymine 11.6110 1358.5 3.0 scans 39% 255 m/z 9.5% 0.00160% 525 0.7 25 2859 14214 14214 0-0 3: 255 256 270 0.981 11.58 1.7 95 97 82 97 270 9.0 12.749 0.027 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1024 Threonine 11.9351 1378.0 2.4 scans 97% 73 m/z 0.17% 0.225% 556 0.8 326 154980 2000769 1959272 2-1 20: 73 218 219 117 291 147 292 101 220 75 293 57 100 74 203 133 128 129 132 59 0.999 11.92 0.9 100 99 99 100 320 28.7 0.776 0.014 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1150 Citrulline 13.0399 1446.5 2.7 scans 87% TIC 1.9% 0.0351% 661 0.9 117 13876 0.0394% 312572 288329 349887 3-0 0.990 13.08 -2.3 97 96 95 97 258 12.7 1.167 -0.036 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2851 1462.0 >3 scans 77% TIC 2.5% 0.0152% 684 1.6 82 10845 0.103% 135126 135126 914679 0-0 0.972 13.31 -1.3 96 95 91 95 349 9.4 1.295 -0.021 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1148 Glutamine?? 13.3240 1464.4 3.0 scans 85% TIC 0.91% 0.0269% 688 1.1 112 29814 0.0687% 239533 239533 610082 0-0 0.991 13.35 -1.5 88 83 92 97 257 8.2 0.531 -0.023 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1146 Malic acid 13.6155 1482.8 5.9 scans 98% 147 m/z 0.010% 8.12% 716 0.2 1301 2660781 72149348 72146399 1-0 20: 147 73 233 245 189 133 190 335 191 175 148 75 101 234 149 217 74 307 265 55 0.997 13.62 -0.0 100 100 100 100 350 35.1 0.073 -0.002 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1142 Erythritol/Threitol 13.7260 1489.7 2.6 scans 90% TIC 0.78% 0.0474% 726 1.6 147 34527 7.78% 421416 421416 69089361 0-0 0.992 13.89 -10.4 93 90 93 98 320 12.1 0.676 -0.164 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.7986 1494.3 4.5 scans 71% 115 m/z (73) 1.4% 0.0546% 733 0.5 119 19104 485722 440712 2-7 8: 115 243 100 128 244 201 102 98 0.943 13.81 -0.5 95 97 87 97 243 48.1 16.202 -0.007 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1140 Aspartic acid 14.0448 1510.3 >2 scans 76% TIC 0.13% 0.249% 756 0.8 337 201534 0.770% 2214071 2144918 6837893 1-0 0.994 14.09 -2.8 100 99 98 99 349 17.3 0.262 -0.042 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0816 1512.8 3.3 scans 92% 156 m/z 0.038% 0.753% 760 0.5 500 701415 6692457 6528326 1-1 15: 156 147 157 258 230 158 59 148 58 259 72 231 140 112 86 0.985 14.11 -1.9 100 99 98 99 273 20.5 0.169 -0.028 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1134 GABA 14.2068 1521.1 2.5 scans 90% 174 m/z (314) 0.10% 0.337% 772 0.9 383 268896 0.341% 2998944 2918999 3028210 0-1 20: 174 73 304 147 175 305 75 176 86 59 216 143 246 133 306 74 172 130 148 131 0.999 14.24 -2.3 98 98 98 99 304 114.3 8.938 -0.035 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1032 GABA 14.2079 1521.1 2.7 scans 91% TIC 0.10% 0.352% 772 1.0 386 266744 1.37% 3128011 3066407 12166121 0-3 0.989 14.19 1.3 100 99 98 99 304 113.1 8.614 0.020 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3667 1531.7 2.8 scans 88% TIC 0.58% 0.0704% 787 0.8 162 46870 0.427% 625406 625279 3791923 0-1 0.988 14.62 -16.9 97 96 95 97 409 11.5 0.504 -0.254 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6172 1548.3 2.5 scans 94% TIC 0.11% 0.335% 811 1.1 385 245724 2982257 2761635 1-2 0.998 14.69 -4.9 100 99 98 99 409 27.0 0.492 -0.075 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7519 1557.2 2.9 scans 87% 174 m/z 0.17% 0.186% 824 0.9 267 158246 1656241 1615988 1-1 20: 174 73 175 86 176 91 250 100 59 118 251 65 130 117 162 87 121 131 144 158 0.953 14.16 38.9 90 92 89 99 250 48.6 3.308 0.587 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1126 Pyrazine 15.0801 1579.0 2.6 scans 60% 227 m/z 4.0% 0.00978% 855 1.0 65 6671 86894 82999 1-0 10: 227 344 301 345 228 139 154 302 133 211 0.943 15.13 -3.4 94 94 84 95 344 19.8 9.368 -0.052 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3800 1598.9 2.6 scans 64% 217 m/z 1.0% 0.0227% 883 1.2 114 26487 0.145% 201678 201678 1287655 0-0 8: 217 73 218 219 103 261 89 185 0.896 15.44 -4.1 86 87 83 89 393 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1120 Glutamic acid 15.5063 1607.6 2.5 scans 77% 246 m/z 1.3% 0.0217% 895 1.1 100 19939 193334 192970 0-1 13: 246 247 128 248 348 156 230 100 84 363 56 349 218 0.977 15.56 -3.7 97 97 92 97 363 10.0 1.017 -0.054 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1118 Phenylalanine 15.6115 1614.9 2.7 scans 47% 218 m/z (328) 1.0% 0.0341% 905 1.1 119 25125 303459 292529 1-1 8: 218 192 219 220 266 65 294 262 0.872 15.66 -3.3 86 90 80 93 294 9.5 0.645 -0.048 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1038 Xylose 15.8945 1634.6 >4 scans 60% TIC 3.7% 0.0112% 932 1.1 67 7268 0.0648% 100093 100093 575449 0-0 0.931 15.89 0.4 86 84 83 97 307 14.7 4.828 0.005 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1040 Xylose 16.0061 1642.3 2.6 scans 56% 103 m/z (271) 1.0% 0.0367% 943 1.0 124 26101 0.0601% 326710 309638 533711 1-1 17: 103 307 217 189 204 308 277 160 117 104 201 309 105 129 89 219 234 0.970 16.00 0.2 93 95 93 97 307 32.2 6.717 0.002 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1042 Ribose 16.1050 1649.2 2.7 scans 84% 73 m/z 0.87% 0.0398% 952 1.0 135 31042 353986 341000 2-1 20: 73 103 307 217 147 308 160 189 277 218 133 309 104 74 105 89 205 219 233 117 0.991 16.10 0.2 96 94 96 99 307 38.6 8.130 0.002 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6163 1684.7 2.6 scans 89% 73 m/z 0.48% 0.0862% 1001 1.1 200 55763 0.113% 766341 732026 1003483 1-0 20: 73 307 319 147 217 103 308 320 205 306 129 309 148 218 321 117 277 74 133 243 0.997 16.68 -4.1 100 99 99 100 497 4.8 0.057 -0.060 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1104 Rhamnose 16.8762 1702.9 2.7 scans 66% 117 m/z 1.6% 0.0230% 1025 1.1 99 16666 0.0507% 204581 204581 450235 0-0 10: 117 160 277 118 161 321 119 219 131 278 0.947 16.93 -4.0 86 84 84 90 392 10.9 1.214 -0.056 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9267 1706.6 2.7 scans 76% 73 m/z 1.2% 0.0331% 1030 1.1 128 22161 0.0882% 294720 294720 783250 0-0 20: 73 217 147 103 205 307 319 218 204 129 320 206 308 189 148 243 203 219 277 221 0.957 16.99 -4.5 94 94 93 94 422 4.6 0.131 -0.062 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9993 1711.8 3.3 scans 80% 73 m/z 0.93% 0.0559% 1037 1.4 144 29195 0.536% 496425 484206 4759884 1-1 20: 73 305 217 147 205 319 103 307 306 218 129 189 204 308 320 74 148 332 206 191 0.971 17.06 -4.7 94 94 92 94 510 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1044 Putrescine 17.1898 1725.8 2.8 scans 80% 174 m/z (217) 0.39% 0.0624% 1055 1.4 155 69089 554280 536435 1-1 15: 174 175 214 176 172 86 200 361 100 362 376 126 188 114 363 0.964 17.19 0.2 90 88 95 99 376 11.8 0.579 0.002 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1096 Putrescine 17.1898 1725.8 2.8 scans 57% 174 m/z 0.39% 0.0443% 1055 1.4 131 69592 393467 380800 1-1 15: 174 175 214 176 172 86 200 361 100 362 376 126 188 114 363 0.955 17.25 -4.2 96 95 90 96 458 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1094 cis-Aconitic acid 17.3087 1734.4 2.9 scans 59% 73 m/z 3.2% 0.00825% 1066 1.2 62 8435 73279 70809 0-1 7: 73 147 229 375 211 133 285 0.908 17.36 -3.9 88 89 87 90 436 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3855 1740.0 3.5 scans 73% TIC 1.0% 0.0459% 1074 1.4 127 26454 0.469% 407828 406211 4164899 1-0 0.888 17.44 -4.3 96 96 95 97 511 8.0 0.391 -0.058 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5696 1753.5 2.8 scans 95% TIC 0.081% 0.392% 1091 0.9 400 334455 0.567% 3483736 3483736 5035176 0-0 0.998 17.63 -4.5 98 96 97 99 450 51.7 1.676 -0.062 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1294 1794.3 3.8 scans 73% TIC 0.53% 0.127% 1145 0.6 175 51267 0.503% 1132964 967653 4466831 4-0 0.876 18.13 0.3 96 95 93 98 372 18.5 1.114 0.004 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1082 Citric acid 18.2536 1803.6 2.8 scans 90% TIC 0.13% 0.400% 1156 1.1 392 204071 0.437% 3557993 3295630 3880726 3-2 0.978 18.32 -5.1 99 97 97 99 465 57.9 2.178 -0.067 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1076 Pregnane?? 18.7944 1844.8 3.1 scans 97% 345 m/z 0.019% 2.36% 1208 0.8 931 1398642 20961549 20948683 0-1 20: 345 73 346 255 147 347 334 204 191 256 435 419 133 372 257 74 148 239 75 348 0.998 18.86 -4.9 100 100 99 100 537 71.8 0.598 -0.064 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1074 Adenine 18.8828 1851.5 3.3 scans 17% 264 m/z 6.4% 0.00303% 1216 1.6 32 4230 0.0706% 26910 26147 626955 1-0 3: 264 279 265 0.966 18.94 -4.4 84 83 75 92 415 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1072 Fructose 18.9848 1859.3 6.5 scans 96% 73 m/z 0.018% 6.61% 1226 1.1 1111 1495815 11.4% 58776407 56203065 101236339 1-2 20: 73 307 217 103 147 308 277 218 309 133 364 74 189 205 117 219 104 89 75 148 1.000 19.03 -3.7 100 98 99 100 364 128.4 1.340 -0.048 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1050 Fructose 19.0048 1860.9 >3 scans 79% 216 m/z 0.024% 1.96% 1228 2.3 937 1097626 62.3% 17435081 17435081 553247714 0-0 19: 216 265 82 187 320 57 280 248 274 151 344 493 345 168 120 272 360 347 295 1.000 18.98 1.9 100 99 99 99 364 105.3 1.270 0.025 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1052 Fructose 19.1279 1870.2 6.7 scans 96% 307 m/z 0.024% 4.98% 1239 0.3 946 1098314 17.3% 44263981 43599761 153630585 0-2 20: 307 217 103 147 308 218 364 74 191 263 149 105 365 173 59 172 279 291 244 334 0.999 19.10 1.8 100 99 100 100 364 107.0 1.283 0.024 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1066 Glucose 19.2121 1876.7 >5 scans 25% 319 m/z (307) 0.82% 0.0563% 1247 1.8 125 32830 8.43% 500262 500262 74861609 0-0 7: 319 320 160 321 161 157 322 0.798 19.40 -14.2 85 88 76 89 319 66.6 28.568 -0.187 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1064 Mannose 19.3626 1888.1 8.8 scans 96% 320 m/z 0.011% 14.5% 1262 0.2 1408 2280683 128844487 125375201 7-1 11: 320 321 322 323 293 265 367 448 555 337 338 0.998 19.45 -7.1 100 99 98 100 319 554.9 15.583 -0.092 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN BRA4_R~2-N1004 Galactose 19.3826 1889.7 8.5 scans 72% 73 m/z (364) 0.010% 11.2% 1264 0.2 1271 2625626 100033494 93720704 6-3 20: 73 319 205 147 160 217 103 117 206 133 74 229 129 157 148 75 89 161 207 204 0.882 19.36 1.6 84 96 79 86 364 0.0 0.000 0.022 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5151 1899.8 3.0 scans 26% 174 m/z 0.34% 0.0468% 1276 1.4 131 78243 0.0766% 416007 400436 680237 1-0 9: 174 338 86 176 339 179 264 340 250 0.979 19.49 2.0 81 80 58 83 338 34.2 6.825 0.025 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1059 Glucose 19.5835 1905.3 3.1 scans 96% 319 m/z 0.016% 4.13% 1283 0.4 1194 1694266 4.22% 36696163 36650982 37475206 1-0 20: 319 73 205 147 160 320 217 103 321 206 133 117 129 229 157 74 207 148 189 204 0.997 19.55 2.6 100 99 99 100 376 50.7 0.181 0.032 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1061 Lysine 19.6288 1908.9 >3 scans 85% 174 m/z 0.46% 0.112% 1287 2.0 225 58042 2.18% 997188 997188 19359230 0-0 20: 174 317 73 156 128 318 230 100 175 434 86 176 200 74 88 228 115 59 319 130 0.996 19.61 1.3 86 80 79 98 434 24.4 1.186 0.016 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7298 1917.0 2.9 scans 73% 73 m/z 1.3% 0.0277% 1297 1.1 119 20357 0.115% 246428 243786 1021244 1-0 17: 73 319 205 147 244 217 103 117 307 321 206 133 74 89 229 207 59 0.971 19.79 -4.9 94 93 91 96 434 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN N406_R~2-N1016 Galacturonic acid 19.7866 1921.6 2.7 scans 18% 333 m/z 4.9% 0.00326% 1302 1.1 39 5542 0.00708% 28953 28953 62873 0-0 4: 333 160 334 335 0.922 19.79 -0.5 92 94 86 94 423 5.4 1.874 -0.006 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2990 1962.8 3.0 scans 82% 73 m/z (204) 0.24% 0.187% 1351 1.0 268 109621 1665196 1617144 0-1 20: 73 217 147 218 74 148 305 189 133 117 149 75 435 306 72 131 331 143 207 190 0.985 20.30 0.3 97 98 96 98 433 28.5 1.129 0.003 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2990 1962.8 3.0 scans 72% 73 m/z (394) 0.23% 0.165% 1351 1.0 251 116417 1466992 1424659 0-1 20: 73 217 147 218 74 148 305 189 133 117 149 75 435 306 72 131 331 143 207 190 0.969 20.41 -9.2 89 91 87 91 217 66.1 6.923 -0.115 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1052 Gluconic acid 2 20.5158 1980.2 >3 scans 62% TIC 3.1% 0.00990% 1371 1.1 82 8527 0.107% 87969 87969 950201 0-0 0.981 20.60 -6.5 88 88 86 88 613 0.0 0.000 -0.081 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1050 Gluconic acid 20.5673 1984.4 3.0 scans 60% 73 m/z 3.7% 0.00954% 1376 1.2 74 7201 0.0854% 84750 84750 758385 0-0 13: 73 333 292 147 305 293 334 319 205 423 103 335 217 0.946 20.65 -6.5 90 91 81 90 613 0.0 0.000 -0.081 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1054 Gluconic acid 3 20.7420 1998.4 3.7 scans 64% TIC 1.6% 0.0229% 1393 0.9 96 16532 0.0692% 203904 203904 614522 0-0 0.849 20.55 15.5 81 84 68 85 613 0.0 0.000 0.193 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1048 Galactaric acid 21.0808 2026.8 2.7 scans 75% TIC 3.8% 0.00784% 1425 1.3 62 6987 0.0267% 69665 69665 237106 0-0 0.953 21.15 -5.9 90 91 85 90 627 4.7 0.581 -0.070 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN WTF2-N1038 C16:0 21.1429 2032.0 2.8 scans 75% 313 m/z 3.3% 0.0189% 1431 1.2 85 8078 168644 147574 1-8 12: 313 117 132 75 145 129 314 55 57 328 69 131 0.932 20.62 43.7 85 89 88 94 328 8.7 1.066 0.526 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.7121 2079.8 6.4 scans 98% 432 m/z 0.013% 11.5% 1485 0.3 1474 2048948 102594456 102587125 1-0 20: 432 433 393 308 368 322 345 295 421 380 378 263 371 342 511 365 228 275 418 301 0.998 21.75 -3.1 100 99 99 99 507 109.7 0.556 -0.037 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1042 myo-Inositol 21.7184 2080.4 5.8 scans 83% 217 m/z (432) 0.013% 9.59% 1486 0.2 1407 2004049 85221152 82650879 1-1 20: 217 73 305 147 318 191 306 265 319 204 218 307 133 129 320 219 192 148 367 291 0.994 21.77 -4.7 96 96 97 98 318 363.1 6.680 -0.056 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8752 2093.5 3.1 scans 97% 319 m/z 0.042% 1.48% 1501 0.8 712 633828 13153747 12652800 1-2 20: 319 73 205 147 320 217 321 262 103 206 229 117 204 74 157 148 89 263 129 376 0.998 21.93 -4.6 95 92 96 99 656 15.9 0.050 -0.055 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1951 2121.2 2.5 scans 94% 396 m/z 0.18% 0.272% 1531 1.1 361 146048 0.356% 2419251 2321803 3161416 1-0 20: 396 73 219 397 381 319 398 191 220 307 147 205 382 75 249 293 320 103 74 217 0.999 22.19 0.7 94 91 89 100 396 140.4 15.133 0.009 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6602 2161.8 3.3 scans 91% 204 m/z 0.33% 0.115% 1575 1.3 202 81772 1027560 942138 2-3 20: 204 73 205 147 217 249 206 117 361 145 131 191 74 75 129 218 103 362 219 189 0.992 22.71 -4.7 94 90 93 99 518 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN BRA4_R~4-N1012 Spermidine 22.8969 2182.5 3.6 scans 40% 174 m/z (202) 17% 0.00373% 1598 1.6 33 1555 33132 33132 0-0 3: 174 201 200 0.965 22.90 -0.3 92 97 93 97 418 5.3 2.605 -0.003 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN WTF2-N1036 C18:0 23.3925 2227.0 3.5 scans 67% 341 m/z 7.1% 0.0113% 1645 2.2 55 3825 0.0127% 100434 93450 112781 0-4 9: 341 117 145 342 132 129 356 55 57 0.943 22.89 45.2 84 91 81 91 356 7.6 1.929 0.503 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1153 2293.1 2.7 scans 76% 204 m/z 1.8% 0.0163% 1713 1.1 84 14862 0.0283% 145247 135416 251315 0-2 9: 204 147 337 205 217 103 206 219 361 0.982 24.01 9.6 92 91 91 93 490 0.0 0.000 0.105 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6478 2343.4 3.0 scans 95% 73 m/z 0.15% 0.484% 1764 0.5 390 179968 0.519% 4301499 4077534 4608918 1-4 20: 73 147 331 191 217 205 421 307 103 262 319 332 305 204 422 259 74 333 192 376 0.995 24.65 -0.2 97 94 97 100 466 22.5 0.333 -0.002 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7404 2352.2 2.6 scans 86% 73 m/z 1.5% 0.0377% 1773 0.7 121 17811 0.383% 335607 293201 3401186 0-8 20: 73 217 204 147 375 292 305 103 219 233 451 376 205 148 293 74 191 133 306 131 0.991 24.81 -6.2 93 93 91 93 451 14.8 1.498 -0.065 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3492 2509.9 2.8 scans 91% 204 m/z 0.73% 0.0527% 1926 0.7 147 37174 0.291% 468630 468630 2584191 0-0 20: 204 73 147 495 205 217 206 496 130 363 273 74 117 143 131 133 103 115 497 319 0.997 26.35 -0.1 94 93 94 93 495 27.0 3.363 -0.001 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5280 2528.4 2.9 scans 79% TIC 2.2% 0.0283% 1943 1.0 104 12143 0.310% 252083 224463 2752918 0-3 0.986 26.57 -4.7 97 97 89 96 512 37.0 12.800 -0.045 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN WTF2-N1032 Sucrose 26.6448 2540.5 2.4 scans 67% 361 m/z 8.2% 0.00482% 1954 1.0 49 3312 42831 39586 1-0 5: 361 362 437 217 273 0.936 26.87 -23.2 87 89 77 89 451 4.8 0.974 -0.225 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1014 Sucrose 27.4045 2619.6 10.7 scans 96% 438 m/z 0.0084% 15.2% 2026 1.7 1367 3207938 135709848 130682857 1-1 20: 438 439 452 453 440 454 435 274 156 322 151 346 258 374 292 289 184 56 343 213 0.996 27.49 -9.1 100 100 98 100 437 270.7 3.949 -0.085 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1020 Sucrose 27.4045 2619.6 10.7 scans 9.6% 438 m/z (361) 0.049% 1.57% 2026 1.7 433 550868 14009127 13490198 1-1 20: 438 439 452 453 440 454 435 274 156 322 151 346 258 374 292 289 184 56 343 213 0.898 27.46 -6.0 94 96 95 97 437 272.7 39.742 -0.056 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1010 Sucrose 27.4077 2619.9 10.8 scans 100% 451 m/z 0.0084% 16.3% 2026 1.7 1402 3224759 145317068 145247982 1-0 20: 451 452 364 365 332 104 450 333 274 322 151 220 346 258 54 142 374 292 289 184 0.998 27.58 -18.3 100 99 98 99 437 269.9 3.733 -0.171 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1018 Sucrose 27.4119 2620.4 10.7 scans 60% 361 m/z (217) 0.0086% 9.54% 2027 1.2 1096 3141709 10.4% 84727945 82027058 92355959 1-0 15: 361 362 363 437 320 321 345 332 347 233 263 366 323 316 379 0.945 27.47 -6.1 86 89 66 88 437 272.7 6.236 -0.058 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1008 Sucrose 27.4645 2626.0 10.3 scans 100% 73 m/z 0.0094% 14.1% 2032 0.2 1383 2875310 125760315 124885788 2-0 20: 73 74 75 69 59 55 101 54 89 85 67 53 118 87 83 70 88 464 357 57 1.000 27.59 -13.5 100 99 97 99 437 241.1 3.056 -0.127 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN LQC1-N1006 Trehalose 28.3799 2725.0 2.8 scans 79% 361 m/z 1.1% 0.0277% 2119 0.9 110 22704 0.0988% 246023 243722 877382 0-2 14: 361 362 191 363 217 271 103 129 169 331 192 218 189 229 0.980 28.47 -9.9 96 96 91 97 565 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel polar\N507_REP6.FIN GUA35_L1-N1020 Galactinol 30.4780 2964.4 3.3 scans 88% 204 m/z (156) 1.7% 0.0325% 2318 0.6 97 15713 0.0993% 289116 270451 881822 1-5 17: 204 217 191 205 103 129 206 433 343 169 306 218 291 243 148 230 192 0.995 30.55 -8.0 93 94 93 95 641 9.5 0.969 -0.067 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN EXBLK5S-N1006 Contamination 6.5910 1061.3 2.9 scans 63% 207 m/z 1.4% 0.0189% 48 1.7 91 19012 0.0527% 194497 156310 541912 9-4 12: 207 295 73 208 209 297 296 191 279 193 210 189 0.942 6.63 -2.0 97 97 90 97 295 27.7 9.285 -0.034 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.7593 1071.3 7.4 scans 27% 147 m/z 7.8% 0.00427% 64 0.9 39 3459 0.00811% 43950 32169 83395 0-3 4: 147 117 191 190 0.850 6.82 -3.6 90 90 85 95 295 2.6 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1194 Alanine 7.3801 1108.1 6.3 scans 85% 116 m/z 0.59% 0.0663% 123 0.4 129 45434 0.107% 682166 671896 1100277 0-7 9: 116 73 147 117 190 118 74 115 132 0.996 7.40 -1.4 98 97 97 97 283 0.0 0.000 -0.024 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN A-KETO~2-N1006 Contamination?? 7.8789 1137.6 2.8 scans 77% 156 m/z 2.1% 0.0126% 170 1.4 79 12772 0.0166% 130091 122233 170697 1-1 9: 156 75 55 157 54 158 76 61 74 0.979 7.96 -4.6 98 98 96 98 156 42.9 29.884 -0.078 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1192 Contamination 7.9609 1142.5 2.7 scans 84% 73 m/z 1.7% 0.0207% 178 1.2 109 15487 0.0287% 213579 205679 295121 2-0 19: 73 147 133 235 220 59 89 146 86 148 72 160 74 103 131 149 70 134 167 0.993 7.99 -1.7 99 98 97 98 235 20.6 3.599 -0.028 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN WTF2-N1026 Cadaverine NC 8.1840 1155.7 4.2 scans 53% 174 m/z 8.5% 0.00345% 199 1.5 32 3166 0.00560% 35520 33615 57585 2-0 3: 174 175 142 0.989 7.74 26.5 90 93 84 93 216 9.3 8.199 0.448 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1188 Contamination 8.3765 1167.1 4.0 scans 90% 281 m/z 0.76% 0.0653% 218 1.2 145 35336 0.0781% 671674 573543 803099 6-0 20: 281 147 73 369 282 370 265 371 249 207 284 266 193 267 250 149 74 205 208 209 0.995 8.41 -2.3 98 97 83 100 369 41.8 8.255 -0.038 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1190 Contamination 8.4754 1173.0 >4 scans 69% TIC 3.0% 0.00675% 227 1.2 68 8735 0.112% 69440 69440 1151692 0-0 0.983 8.48 -0.5 93 92 90 93 309 7.0 1.062 -0.009 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1186 Phosphate 8.5259 1176.0 2.4 scans 92% 241 m/z 0.26% 0.0684% 232 1.1 196 103140 704045 655028 4-5 19: 241 242 211 133 163 243 256 195 135 59 89 98 181 137 121 134 164 119 257 0.998 8.56 -2.0 100 99 99 100 299 0.0 0.000 -0.035 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1184 Valine 9.1520 1212.9 3.2 scans 76% TIC 2.2% 0.00975% 291 1.1 66 12181 0.0300% 100280 96151 308489 3-3 0.969 9.19 -2.1 97 97 93 97 218 20.9 9.923 -0.036 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1180 Benzoic acid 9.7191 1246.1 3.2 scans 63% 179 m/z 4.2% 0.00913% 345 1.7 59 6312 93909 79791 3-3 6: 179 105 135 77 180 194 0.860 9.76 -2.4 89 87 81 95 194 9.2 2.465 -0.040 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1178 Ethanolamine 9.9917 1262.1 3.3 scans 91% 174 m/z 0.31% 0.0825% 371 1.1 182 84641 0.470% 849118 739307 4832992 4-0 20: 174 73 175 147 100 86 176 133 59 262 130 114 74 131 148 172 87 116 144 149 0.996 10.03 -2.4 100 99 99 99 262 20.1 1.212 -0.042 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN VEN77_S6-N1002 Glycerol 10.0906 1267.9 3.3 scans 95% 299 m/z 0.010% 2.33% 381 0.5 987 2648360 24017135 23883732 0-2 20: 299 300 314 73 301 133 283 315 211 207 193 191 316 302 135 225 284 74 75 181 0.987 10.09 -0.1 100 99 96 99 299 618.2 39.512 -0.003 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LACTIC~1-N1034 Glycerol 10.0948 1268.1 2.7 scans 4.2% 147 m/z (299) 0.30% 0.0985% 381 0.6 209 88163 0.109% 1013579 892944 1120843 2-4 18: 147 205 117 103 218 206 148 204 219 101 175 129 203 217 118 293 220 294 0.632 10.11 -0.9 83 95 57 93 293 16.2 0.599 -0.015 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2358 1276.3 2.5 scans 91% TIC 0.49% 0.0451% 394 1.3 155 54415 2.40% 463785 421611 24679107 2-3 0.993 10.24 -0.3 99 98 97 99 381 17.3 1.244 -0.004 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1176 Isoleucine 10.4231 1287.3 2.9 scans 41% 158 m/z 4.2% 0.00298% 412 1.3 38 6319 0.00379% 30699 27053 38972 2-0 2: 158 159 0.977 10.46 -2.1 83 84 60 84 260 0.0 0.000 -0.036 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1012 Proline 10.5125 1292.5 2.8 scans 95% TIC 0.032% 0.526% 421 0.8 501 832199 2.25% 5415420 4919008 23136663 3-0 0.996 10.53 -1.3 99 98 98 100 216 93.8 3.520 -0.021 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5925 1297.2 2.9 scans 94% 147 m/z 0.055% 0.372% 428 0.9 438 483637 1.63% 3827146 3827146 16761227 0-0 20: 147 73 245 148 75 149 83 133 74 115 246 143 59 58 170 84 126 72 66 247 0.999 10.60 -0.6 99 98 98 99 245 102.1 5.451 -0.010 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1170 Glycine 10.6461 1300.4 3.2 scans 67% 174 m/z 0.58% 0.0330% 433 1.2 134 46031 0.490% 340203 340203 5038651 0-0 19: 174 73 248 175 86 176 249 100 250 133 277 59 131 188 134 117 158 278 172 0.992 10.69 -2.4 93 92 88 93 276 21.9 2.692 -0.041 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7429 1306.2 3.3 scans 93% 147 m/z 0.021% 1.21% 443 0.6 700 1245975 12504874 11266125 2-2 20: 147 73 251 148 76 149 58 132 74 252 133 177 150 176 75 118 131 253 59 175 0.993 10.76 -0.9 99 97 96 99 251 170.9 5.984 -0.015 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1168 Glyceric acid 11.0165 1322.7 2.6 scans 98% 73 m/z 0.071% 0.556% 469 0.9 531 376116 5723924 5545499 1-2 20: 73 147 292 189 133 103 205 293 307 190 117 102 148 75 294 74 149 59 191 101 0.999 11.05 -2.2 100 100 99 100 292 163.5 9.489 -0.037 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0691 1325.8 2.6 scans 48% 184 m/z 6.3% 0.00482% 474 1.0 51 4248 0.0106% 49624 45893 108999 0-1 8: 184 285 134 174 86 77 286 100 0.973 11.06 0.3 91 92 69 92 285 19.3 14.244 0.006 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1018 Uracil 11.1291 1329.4 2.8 scans 55% 241 m/z 9.9% 0.00312% 479 1.6 38 2715 32093 32093 0-1 5: 241 99 255 256 242 0.950 11.15 -1.2 95 96 95 100 256 13.0 11.532 -0.019 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1164 Itaconic acid 11.2112 1334.4 2.8 scans 85% TIC 2.7% 0.0117% 487 0.8 71 9930 0.518% 120935 108036 5326574 1-1 0.990 11.25 -2.5 85 83 86 90 259 12.6 3.180 -0.041 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1162 Fumaric acid 11.3585 1343.3 2.5 scans 96% 245 m/z 0.071% 0.294% 501 1.1 410 378699 3023385 2853570 1-2 20: 245 147 73 246 75 143 247 83 133 148 149 115 155 74 84 53 59 58 61 127 0.999 11.39 -2.0 100 99 99 100 245 233.8 32.546 -0.035 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4521 1348.9 >4 scans 86% TIC 1.5% 0.0183% 510 1.4 97 17730 0.581% 188813 188813 5974401 0-0 0.988 11.45 0.4 93 90 96 98 145 26.9 7.712 0.006 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1160 Serine 11.5058 1352.1 2.4 scans 96% 204 m/z 0.093% 0.322% 515 1.1 430 289878 3315342 3174696 1-2 20: 204 73 218 205 147 100 219 188 278 206 75 133 306 74 220 116 59 189 148 132 1.000 11.56 -3.1 100 99 99 100 306 45.8 1.140 -0.051 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN BRA4_R~2-N1008 Thymine 11.5899 1357.2 3.4 scans 61% 255 m/z 6.7% 0.00468% 523 1.5 44 3999 48221 48103 0-1 4: 255 156 270 256 0.920 11.58 0.4 89 87 81 94 270 12.9 8.500 0.006 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7288 1365.6 3.0 scans 88% TIC 0.81% 0.0516% 536 0.8 149 32945 530610 465994 3-3 0.988 11.79 -3.3 95 93 95 97 262 17.3 1.339 -0.056 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1024 Threonine 11.9130 1376.6 2.7 scans 90% TIC 0.85% 0.0465% 554 1.2 153 31516 478638 435745 2-2 0.985 11.92 -0.5 100 99 98 99 320 14.0 0.837 -0.008 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN N406_R~1-N1016 b-Alanine 12.6022 1419.0 2.7 scans 58% 248 m/z 3.4% 0.0112% 619 1.4 76 7823 115647 114930 0-1 12: 248 174 290 249 130 250 175 86 291 100 232 176 0.756 12.60 -0.0 92 92 61 98 304 8.0 1.105 0.000 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1150 Citrulline 13.0273 1445.7 2.9 scans 73% 128 m/z (350) 4.2% 0.0137% 660 1.2 80 6281 141584 137177 1-1 11: 128 243 115 141 100 169 70 244 142 258 153 0.960 13.08 -3.1 91 94 89 93 258 9.1 1.310 -0.049 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1148 Glutamine?? 13.3219 1464.3 3.1 scans 96% 155 m/z 0.11% 0.234% 688 0.5 317 240952 0.249% 2415781 2338943 2560457 2-0 20: 155 73 147 156 229 139 75 59 100 74 157 148 133 84 131 103 257 230 58 72 0.999 13.35 -1.6 99 97 99 99 257 25.8 0.661 -0.025 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1146 Malic acid 13.6081 1482.3 6.6 scans 99% 73 m/z 0.010% 7.85% 715 0.2 1342 2648987 80762960 80758748 1-0 20: 73 147 133 190 148 75 191 175 74 234 55 149 101 72 59 171 131 117 235 247 0.998 13.62 -0.5 100 100 100 100 350 36.8 0.076 -0.009 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1144 Contamination Parabanica acid 13.7785 1493.0 4.1 scans 48% 243 m/z (245) 11% 0.00618% 731 1.2 48 2397 0.164% 63572 63572 1686406 0-0 8: 243 100 115 84 128 116 244 117 0.914 13.81 -1.8 81 83 71 89 243 18.6 14.759 -0.027 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1140 Aspartic acid 14.0405 1510.0 5.2 scans 82% TIC 0.071% 0.416% 756 0.8 471 379235 0.703% 4283362 4159851 7228922 1-0 0.996 14.09 -3.1 100 99 98 99 349 25.5 0.294 -0.046 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0689 1511.9 >3 scans 94% TIC 0.051% 0.432% 759 0.9 445 524231 0.779% 4445800 4445800 8010427 0-0 1.000 14.11 -2.8 98 96 98 99 273 19.8 0.199 -0.041 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1032 GABA 14.1973 1520.4 2.7 scans 79% 174 m/z (226) 0.31% 0.0857% 771 1.0 209 86777 0.0881% 882259 820177 905929 1-1 10: 174 304 175 305 86 176 216 172 100 130 0.999 14.19 0.6 97 98 96 98 304 67.7 10.450 0.009 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1134 GABA 14.1973 1520.4 2.7 scans 74% 174 m/z 0.31% 0.0773% 771 1.0 202 86827 0.0794% 795163 739210 816467 1-1 10: 174 304 175 305 86 176 216 172 100 130 0.992 14.24 -3.0 97 96 92 96 304 68.1 11.315 -0.045 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6329 1549.3 2.8 scans 97% 73 m/z (174) 0.025% 1.79% 812 0.6 933 1062242 18488614 18047666 0-1 20: 73 292 147 220 205 293 217 117 103 294 221 148 133 319 74 291 149 75 206 102 1.000 14.62 0.7 99 99 100 100 409 76.5 0.675 0.012 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6329 1549.3 2.8 scans 98% 73 m/z 0.025% 1.78% 812 0.6 933 1065082 18305918 17869327 0-1 20: 73 292 147 220 205 293 217 117 103 294 221 148 133 319 74 291 149 75 206 102 1.000 14.69 -3.9 100 99 99 100 409 76.5 0.674 -0.059 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1126 Pyrazine 15.0811 1579.1 2.5 scans 91% 73 m/z 0.52% 0.0851% 855 1.0 221 51088 875345 828387 1-2 20: 73 227 344 301 147 345 154 228 302 139 211 346 126 329 128 212 303 229 59 133 0.987 15.13 -3.3 100 99 98 99 344 68.3 9.560 -0.051 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3852 1599.2 3.0 scans 68% 217 m/z 1.4% 0.0132% 884 1.3 90 19261 0.0318% 136116 136116 326998 0-0 8: 217 73 218 219 129 103 230 215 0.972 15.44 -3.8 91 90 88 94 393 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1120 Glutamic acid 15.5073 1607.7 2.6 scans 87% 246 m/z 0.74% 0.0379% 895 1.0 139 36313 0.0517% 390085 372967 531629 2-0 20: 246 73 247 128 147 230 75 348 248 156 74 84 363 56 100 349 149 133 158 218 0.988 15.56 -3.6 99 98 96 98 363 14.2 1.052 -0.053 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1118 Phenylalanine 15.6104 1614.8 2.6 scans 62% 218 m/z 1.0% 0.0249% 905 1.3 114 24804 256308 254401 0-2 11: 218 192 219 266 91 220 100 65 132 160 294 0.908 15.66 -3.4 91 92 79 93 294 9.5 0.694 -0.049 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1038 Xylose 15.8945 1634.5 >3 scans 71% TIC 2.5% 0.0109% 932 1.6 77 10582 0.0309% 112593 112593 317744 0-0 0.955 15.89 0.3 87 84 87 95 307 20.4 7.016 0.004 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1040 Xylose 16.0113 1642.7 2.8 scans 84% 73 m/z 0.55% 0.0698% 943 1.1 190 49060 0.124% 718763 687531 1275087 1-1 20: 73 103 217 307 308 204 189 218 160 205 277 74 133 309 117 104 201 129 105 148 0.948 16.00 0.6 96 94 96 99 307 49.4 6.802 0.007 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1042 Ribose 16.1081 1649.4 2.9 scans 57% 103 m/z (245) 2.1% 0.0229% 952 1.1 100 12495 0.0693% 236409 220411 712609 2-4 7: 103 307 189 309 160 104 205 0.971 16.10 0.4 92 94 90 96 307 33.5 11.255 0.005 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6205 1685.0 3.5 scans 81% TIC 2.0% 0.0270% 1001 2.0 105 13190 0.0485% 277637 277637 498724 0-0 0.970 16.68 -3.8 98 98 91 98 497 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0046 1712.2 3.2 scans 43% 217 m/z 3.3% 0.0194% 1038 1.3 96 7979 0.0706% 200271 200271 725977 0-0 12: 217 319 307 205 103 218 189 129 204 308 206 321 0.680 17.06 -4.3 89 92 63 92 510 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1044 Putrescine 17.1929 1726.0 2.9 scans 65% 174 m/z (73) 0.81% 0.0259% 1056 1.1 108 33327 266845 250148 1-1 12: 174 175 214 176 172 86 200 361 100 130 173 376 0.988 17.19 0.4 94 95 95 98 376 9.4 0.763 0.005 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1096 Putrescine 17.1929 1726.0 2.9 scans 55% 174 m/z 0.81% 0.0214% 1056 1.1 100 33133 220902 207079 1-1 12: 174 175 214 176 172 86 200 361 100 130 173 376 0.990 17.25 -4.0 97 96 95 99 458 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3865 1740.1 3.2 scans 51% 333 m/z (345) 2.2% 0.0219% 1074 1.1 100 12204 0.0241% 226099 225108 247819 1-0 11: 333 292 103 307 217 334 293 335 294 393 218 0.942 17.44 -4.2 94 97 91 97 511 8.0 0.637 -0.057 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5759 1753.9 3.0 scans 87% 217 m/z 0.17% 0.127% 1092 1.1 262 152049 0.583% 1306773 1305826 5994966 0-1 17: 217 73 218 147 219 74 129 230 244 189 220 191 232 148 130 216 305 0.996 17.63 -4.1 96 95 95 96 450 30.3 1.342 -0.056 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1088 Glutamine?? 17.6643 1760.4 >4 scans 84% TIC 0.19% 0.272% 1100 1.4 339 140924 0.953% 2799732 2799732 9799662 0-0 0.990 17.73 -4.5 89 87 92 91 511 5.7 0.028 -0.062 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7148 1764.1 7.8 scans 82% TIC 0.20% 0.371% 1105 1.1 348 133239 0.569% 3819957 3612920 5851005 0-1 0.963 17.70 1.2 97 97 93 97 375 42.5 1.496 0.016 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1086 Fructofuranose 18.0799 1790.7 4.4 scans 88% TIC 0.14% 0.395% 1140 1.3 367 187857 1.22% 4066852 3770622 12545213 5-0 0.995 18.13 -3.9 97 95 96 99 437 104.2 8.082 -0.054 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1046 Shikimic acid 18.1430 1795.3 3.5 scans 73% 204 m/z (217) 0.18% 0.196% 1146 0.9 272 146966 0.234% 2021957 1798319 2406213 4-3 18: 204 206 357 255 254 372 462 358 447 331 282 373 463 359 167 265 267 256 0.995 18.13 1.3 91 90 91 98 372 32.1 1.392 0.018 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1084 Shikimic acid 18.1430 1795.3 3.5 scans 43% 204 m/z 0.18% 0.112% 1146 0.9 210 148142 0.133% 1151959 1024547 1367634 4-3 18: 204 206 357 255 254 372 462 358 447 331 282 373 463 359 167 265 267 256 0.973 18.20 -3.9 99 99 98 99 462 23.8 1.292 -0.054 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1082 Citric acid 18.2588 1803.9 3.3 scans 88% TIC 0.15% 0.348% 1157 1.1 397 178224 1.16% 3580319 3573854 11928235 0-1 0.978 18.32 -4.8 96 94 91 98 465 57.9 2.133 -0.062 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1076 Pregnane?? 18.8785 1851.2 9.4 scans 100% 73 m/z 0.0081% 12.4% 1216 0.2 1472 3304620 128198984 128159955 1-0 20: 73 147 191 74 75 133 148 149 205 131 129 192 141 193 143 169 59 103 421 101 1.000 18.86 1.5 100 99 99 99 537 95.1 0.419 0.021 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1050 Fructose 19.0321 1862.9 >5 scans 81% 291 m/z 0.016% 5.54% 1230 0.3 1271 1647735 8.78% 57061872 55041604 90284400 1-0 12: 291 163 319 367 188 393 352 466 151 286 156 557 0.995 18.98 3.9 99 98 98 99 364 162.2 1.634 0.052 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1072 Fructose 19.0490 1864.2 8.1 scans 94% 364 m/z 0.012% 10.7% 1232 0.2 1424 2241018 110414546 108003523 1-0 20: 364 279 310 319 318 350 377 321 338 328 249 331 237 199 182 362 467 194 391 266 0.996 19.03 1.2 100 98 98 99 364 165.4 1.356 0.016 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1052 Fructose 19.1752 1873.9 5.8 scans 97% 73 m/z 0.012% 7.67% 1244 0.3 1435 2178835 27.5% 78969757 77211437 282781435 1-1 20: 73 217 103 147 218 309 205 74 133 219 189 117 89 104 148 278 191 75 129 202 0.998 19.10 5.5 100 99 98 99 364 169.9 1.405 0.071 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1068 Galactopyranose 19.2794 1881.8 >4 scans 65% 204 m/z 0.13% 0.193% 1254 1.2 303 201916 9.38% 1993054 1993054 96454177 0-0 17: 204 191 147 217 192 129 435 218 133 189 231 203 291 305 219 393 317 0.988 19.32 -2.7 98 97 95 98 435 25.3 0.696 -0.036 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1066 Glucose 19.3878 1890.1 >6 scans 47% 319 m/z (73) 0.011% 4.67% 1264 0.3 1038 2282088 5.56% 48042684 46718859 57173265 1-0 20: 319 320 365 323 275 173 300 234 135 374 132 127 164 144 126 345 168 468 97 171 0.904 19.40 -0.8 83 87 65 88 319 573.8 30.639 -0.011 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1064 Mannose 19.3951 1890.6 7.6 scans 97% TIC 0.010% 11.2% 1265 0.2 1505 2525759 11.4% 115410846 114807184 117225759 1-0 0.999 19.45 -4.6 100 99 98 100 319 603.7 16.148 -0.060 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN BRA4_R~2-N1004 Galactose 19.4025 1891.2 7.5 scans 52% 319 m/z (73) 0.016% 1.65% 1266 2.1 1085 1607784 5.91% 17000572 17000572 60772301 0-0 20: 319 205 320 217 321 229 204 189 218 291 307 277 231 364 305 274 191 216 262 233 0.945 19.36 3.1 81 84 61 85 364 0.0 0.000 0.041 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1056 Glucose 19.4025 1891.2 7.5 scans 85% 319 m/z 0.010% 2.65% 1266 2.1 1379 2555806 9.48% 27283481 27283481 97482473 0-0 20: 319 205 320 217 321 229 204 189 218 291 307 277 231 364 305 274 191 216 262 233 1.000 19.33 5.4 100 98 97 99 364 98.2 0.510 0.070 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1062 Glucose 19.5930 1906.0 2.7 scans 96% TIC 0.016% 3.01% 1284 0.4 1206 1617776 31001950 28828579 2-1 0.998 19.66 -5.1 100 99 99 99 319 483.2 16.116 -0.063 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1060 Lysine 19.6445 1910.2 3.9 scans 23% 174 m/z 6.0% 0.00776% 1289 1.4 54 4455 0.0543% 79825 75714 558365 0-1 8: 174 317 156 128 318 230 175 88 0.939 19.69 -3.9 85 86 78 89 479 0.0 0.000 -0.048 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7929 1922.1 2.6 scans 64% 333 m/z 0.74% 0.0411% 1303 1.1 150 36378 0.0797% 423369 415707 819552 1-2 15: 333 160 334 335 364 189 274 423 305 277 336 161 314 424 365 0.978 19.79 -0.1 95 95 86 95 333 72.5 23.322 -0.001 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1056 Ascorbic acid 19.9286 1933.0 2.9 scans 89% TIC 0.34% 0.127% 1316 0.7 251 79131 0.321% 1309776 1309776 3300831 0-0 0.995 19.99 -4.7 99 99 97 99 449 28.5 1.289 -0.057 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.3021 1963.0 2.5 scans 96% 204 m/z 0.044% 0.601% 1351 1.1 594 612422 6189406 6126554 0-1 20: 204 73 191 147 205 217 206 192 129 218 189 74 133 103 193 75 148 117 305 435 0.999 20.41 -9.0 100 99 99 99 217 129.3 4.767 -0.112 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1052 Gluconic acid 2 20.5242 1980.9 3.0 scans 54% 292 m/z 2.2% 0.0199% 1372 1.1 111 12070 0.0763% 204646 204646 784590 0-0 17: 292 319 333 205 293 294 433 435 359 277 189 321 307 103 320 331 219 0.956 20.60 -5.8 91 91 86 91 613 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN WTF2-N1038 C16:0 21.1523 2032.8 2.7 scans 76% 313 m/z 1.9% 0.0237% 1432 1.1 113 14155 244669 224641 1-1 20: 313 73 117 75 132 129 145 314 55 131 57 315 269 118 69 201 133 74 285 67 0.914 20.62 44.5 84 89 91 96 328 12.1 1.133 0.535 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1042 myo-Inositol 21.7005 2078.9 4.6 scans 76% 305 m/z (432) 0.016% 5.22% 1484 0.4 1310 1652201 53730731 53700693 1-0 20: 305 217 73 318 147 191 306 319 265 204 307 218 433 367 320 133 129 291 219 192 0.977 21.77 -6.2 95 96 97 97 318 292.6 5.006 -0.073 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.7005 2078.9 4.6 scans 98% 305 m/z 0.013% 6.70% 1484 0.4 1487 2000117 68936970 68898431 1-0 20: 305 217 73 318 147 191 306 319 265 204 307 218 433 367 320 133 129 291 219 192 0.997 21.75 -4.0 100 100 99 100 507 116.6 0.618 -0.048 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8657 2092.7 3.1 scans 94% 319 m/z 0.20% 0.251% 1500 1.1 332 133040 2588356 2429778 1-2 20: 319 73 205 147 320 217 321 262 206 204 117 74 229 133 157 89 148 263 129 207 0.999 21.93 -5.4 97 94 97 99 656 8.6 0.067 -0.064 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2024 2121.9 2.6 scans 95% TIC 0.081% 0.468% 1532 0.9 497 330454 4817020 4646775 0-3 0.980 22.19 1.4 98 96 93 99 396 218.4 19.369 0.016 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6633 2162.1 3.7 scans 81% 204 m/z 1.4% 0.0212% 1575 1.4 96 18355 0.0514% 218983 206789 528544 3-0 12: 204 73 205 217 249 147 191 361 131 218 74 305 0.973 22.71 -4.4 92 89 93 97 518 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN WTF2-N1036 C18:0 23.3924 2227.0 3.0 scans 85% TIC 2.3% 0.0200% 1645 1.5 96 11370 0.0503% 206021 184171 517233 2-0 0.987 22.89 45.2 89 95 90 95 356 13.7 2.013 0.503 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN BRA4_R~2-N1006 Spermidine 23.5071 2237.5 2.9 scans 80% TIC 2.4% 0.0278% 1656 0.7 112 11016 0.0461% 286422 253536 474045 1-4 0.946 23.51 -0.2 83 75 94 99 490 9.7 0.753 -0.002 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1227 2293.8 2.7 scans 68% 204 m/z 3.7% 0.00531% 1714 1.4 55 7110 0.0123% 54686 53787 126480 2-0 6: 204 337 147 205 426 217 0.953 24.01 10.3 84 81 82 89 490 0.0 0.000 0.113 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6498 2343.6 3.3 scans 91% 73 m/z 0.71% 0.0948% 1764 0.6 186 37648 974879 932670 3-1 20: 73 331 147 191 217 307 421 262 205 332 103 422 305 259 333 148 308 376 306 89 0.982 24.65 0.0 99 98 96 99 466 12.0 0.417 -0.000 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7435 2352.5 2.7 scans 93% 73 m/z 0.66% 0.0821% 1773 1.4 207 40634 844449 801319 1-1 20: 73 217 204 147 375 292 305 103 219 218 205 451 293 129 363 376 306 233 148 191 0.996 24.81 -5.9 97 96 97 96 451 26.2 1.604 -0.062 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5343 2529.1 2.8 scans 53% 512 m/z 2.0% 0.0213% 1943 1.0 105 12935 220034 220034 0-0 18: 512 455 513 456 247 483 514 57 263 457 349 423 248 497 484 515 511 179 0.828 26.57 -4.0 96 96 69 96 512 43.2 16.962 -0.039 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9015 2567.0 3.1 scans 40% 371 m/z (361) 3.2% 0.00919% 1978 0.9 64 8334 0.00933% 94565 90368 95940 1-0 13: 371 372 57 373 239 459 55 203 71 85 97 116 83 0.938 26.39 52.4 82 92 71 92 459 10.5 2.665 0.508 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1020 Sucrose 27.4055 2619.7 9.2 scans 10% 451 m/z (73) 0.049% 1.23% 2026 1.6 457 549942 12686991 12390313 1-1 15: 451 438 439 452 187 322 279 323 264 481 373 465 565 379 443 0.392 27.46 -5.9 96 97 96 99 437 281.7 38.093 -0.055 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1010 Sucrose 27.4055 2619.7 9.2 scans 100% 451 m/z 0.0082% 11.7% 2026 1.6 1446 3287478 120362237 117547631 1-1 15: 451 438 439 452 187 322 279 323 264 481 373 465 565 379 443 0.997 27.58 -18.5 100 99 98 99 437 283.9 3.882 -0.173 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1018 Sucrose 27.4171 2620.9 8.8 scans 54% 361 m/z (73) 0.0082% 5.64% 2027 0.8 1069 3287478 6.76% 58026268 56796623 69512818 1-0 20: 361 362 363 319 364 189 203 221 321 273 332 233 206 259 307 306 220 173 335 222 0.956 27.47 -5.6 84 86 62 86 437 285.9 7.204 -0.053 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN TAB_REP6-N1070 Sucrose 27.4171 2620.9 8.8 scans 82% 361 m/z (437) 0.0094% 8.61% 2027 0.8 1321 2866533 10.3% 88633443 86755196 105914501 1-0 20: 361 362 363 319 364 189 203 221 321 273 332 233 206 259 307 306 220 173 335 222 0.996 27.41 0.8 87 84 73 97 451 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1014 Sucrose 27.4255 2621.8 >7 scans 93% 218 m/z 0.0082% 9.43% 2028 0.5 1408 3287478 11.3% 96998277 94905897 116197463 1-0 20: 218 331 320 229 365 149 257 231 305 130 105 161 265 366 255 184 309 294 392 165 1.000 27.49 -6.9 100 99 99 100 437 284.9 4.122 -0.064 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1008 Sucrose 27.4518 2624.6 8.7 scans 93% TIC 0.0097% 3.26% 2031 2.7 1417 2781086 11.5% 33563828 31750452 118254055 0-1 1.000 27.59 -14.9 100 99 97 99 437 242.5 2.941 -0.139 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN LQC1-N1006 Trehalose 28.3757 2724.5 2.9 scans 68% 361 m/z 3.4% 0.00778% 2118 1.0 63 7730 0.0185% 80010 78753 190235 0-1 7: 361 362 363 191 217 169 271 0.961 28.47 -10.4 92 92 81 93 565 0.0 0.000 -0.092 G:\GCMS data\Nicotiana Panel polar\N521_REP2.FIN GUA35_L1-N1020 Galactinol 30.4779 2964.4 3.1 scans 30% 204 m/z (345) 1.3% 0.0230% 2318 1.0 102 20265 0.0621% 237176 229012 638572 0-4 15: 204 217 205 433 206 361 218 103 641 434 642 343 362 265 318 0.796 30.55 -8.0 89 93 72 92 641 11.3 1.247 -0.067 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN EXBLK5S-N1006 Contamination 6.3488 1046.9 2.8 scans 60% 207 m/z 1.4% 0.0347% 25 1.6 92 18587 276664 165201 11-7 11: 207 208 295 191 209 296 279 297 193 133 189 0.920 6.63 -16.4 96 96 91 97 295 27.1 8.741 -0.276 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.8002 1073.7 10.4 scans 56% 147 m/z 3.3% 0.0256% 68 0.5 69 8378 0.0604% 203676 171790 480267 0-9 6: 147 117 73 219 118 190 0.951 6.82 -1.2 89 86 85 98 295 2.6 0.000 -0.021 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1194 Alanine 7.4136 1110.1 9.0 scans 78% TIC 0.89% 0.0701% 126 0.4 107 30920 0.152% 557910 557910 1208619 0-0 0.984 7.40 0.6 96 96 95 96 283 0.0 0.000 0.010 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN A-KETO~2-N1006 Contamination?? 7.9082 1139.4 2.6 scans 81% 156 m/z 1.7% 0.0187% 173 1.2 90 16154 0.0213% 149304 141412 169366 1-2 9: 156 75 55 157 54 61 158 76 59 0.995 7.96 -2.8 99 98 97 98 156 49.0 29.470 -0.049 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1192 Contamination 7.9902 1144.2 2.6 scans 77% 73 m/z 3.0% 0.0134% 181 1.0 82 9146 0.0240% 107135 107058 190835 1-0 17: 73 147 133 235 220 146 59 72 148 86 89 100 160 103 74 149 131 0.992 7.99 0.0 97 97 94 97 235 15.8 3.702 0.001 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN WTF2-N1026 Cadaverine NC 8.1881 1156.0 2.8 scans 48% 174 m/z 12% 0.00300% 200 1.3 31 2309 0.00349% 23913 17266 27751 0-3 2: 174 175 0.985 7.74 26.8 89 92 82 94 216 7.3 5.753 0.452 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1188 Contamination 8.3785 1167.3 4.6 scans 92% 147 m/z 0.72% 0.0891% 218 1.4 156 38264 0.117% 708513 707645 930319 1-0 16: 147 73 369 282 283 370 249 207 148 191 284 267 250 353 208 209 0.996 8.41 -2.1 99 97 83 100 369 44.2 8.062 -0.036 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1190 Contamination 8.4753 1173.0 2.7 scans 65% 73 m/z 3.4% 0.00823% 227 1.0 65 8115 0.0382% 65502 65502 303745 0-0 10: 73 140 198 211 77 69 186 126 70 74 0.996 8.48 -0.5 94 94 91 94 309 5.0 0.582 -0.009 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1186 Phosphate 8.5469 1177.2 2.4 scans 90% 241 m/z 0.50% 0.0463% 234 1.1 148 55162 368398 356047 1-2 19: 241 242 133 211 163 243 256 135 195 98 89 59 137 119 181 212 134 165 107 0.993 8.56 -0.8 99 98 97 99 299 0.0 0.000 -0.014 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1184 Valine 9.1677 1213.8 3.5 scans 71% 144 m/z (156) 2.9% 0.0116% 293 0.9 59 9496 0.0204% 93010 86016 162209 5-4 5: 144 73 218 145 146 0.977 9.19 -1.2 94 96 91 97 218 17.3 8.670 -0.020 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1180 Benzoic acid 9.7358 1247.1 3.1 scans 71% 179 m/z 4.3% 0.0103% 347 0.9 61 6387 0.0109% 82082 73804 86671 1-0 7: 179 105 135 77 180 136 194 0.913 9.76 -1.4 92 90 85 96 194 9.0 2.163 -0.023 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1178 Ethanolamine 9.9968 1262.4 3.9 scans 90% 174 m/z 0.52% 0.0790% 372 1.1 147 52885 0.418% 628543 554607 3323702 2-0 17: 174 73 175 147 100 176 133 59 130 262 172 101 177 102 149 134 72 0.995 10.03 -2.1 100 99 98 99 262 15.7 1.138 -0.037 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN VEN77_S6-N1002 Glycerol 10.0915 1267.9 2.9 scans 96% 299 m/z 0.014% 1.88% 381 0.6 852 1883719 15007330 15007330 0-0 20: 299 300 314 73 301 133 283 211 315 207 193 191 316 135 302 225 298 284 74 181 0.988 10.09 -0.1 100 99 96 100 299 528.9 38.735 -0.003 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2430 1276.8 2.5 scans 89% 73 m/z 0.77% 0.0337% 395 1.1 125 35804 268212 252093 1-2 19: 73 198 77 211 199 70 239 74 381 72 212 289 200 143 170 56 142 92 63 0.996 10.24 0.2 99 98 97 98 381 14.1 1.255 0.003 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1176 Isoleucine 10.4271 1287.5 3.0 scans 39% 158 m/z 4.7% 0.00368% 413 1.4 37 5844 0.00678% 29265 28360 53911 2-0 4: 158 218 159 232 0.966 10.46 -1.9 87 89 63 88 260 3.2 0.773 -0.032 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1012 Proline 10.5166 1292.8 2.9 scans 95% TIC 0.051% 0.461% 421 0.8 411 539660 2.72% 3667867 3293837 21627918 5-0 0.994 10.53 -1.0 100 98 98 100 216 76.1 3.436 -0.016 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1014 Maleic acid 10.6050 1297.9 3.0 scans 96% 147 m/z 0.045% 0.685% 429 0.6 501 617695 2.07% 5453479 5296771 16459481 1-6 20: 147 73 245 148 75 149 83 133 246 74 115 143 170 59 84 126 58 72 247 242 0.998 10.60 0.1 99 98 98 99 245 120.0 5.742 0.003 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1170 Glycine 10.6544 1300.9 >3 scans 69% TIC 0.85% 0.0186% 434 1.6 112 32621 1.98% 148497 148497 15743852 0-0 0.991 10.69 -1.9 93 92 87 92 276 18.6 2.750 -0.033 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7502 1306.6 4.9 scans 98% 131 m/z (247) 0.022% 1.59% 443 0.9 703 1216151 2.03% 12683530 11653682 16141424 1-0 19: 131 175 75 57 61 70 89 56 87 220 208 86 114 192 193 297 158 166 65 1.000 10.76 -0.5 97 97 96 99 251 166.5 5.627 -0.008 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1168 Glyceric acid 11.0216 1323.0 2.6 scans 96% 73 m/z 0.067% 0.710% 469 0.9 561 411553 5649539 5356455 1-1 20: 73 147 292 189 133 205 103 293 148 117 102 190 307 75 74 294 149 59 191 101 0.999 11.05 -1.9 100 100 99 100 292 171.4 9.348 -0.032 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0753 1326.2 2.6 scans 46% 184 m/z 11% 0.00369% 474 1.2 40 2511 0.0124% 29401 29401 98598 0-0 4: 184 285 134 174 0.981 11.06 0.7 85 86 66 89 285 14.9 14.141 0.012 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1018 Uracil 11.1363 1329.9 2.6 scans 71% 241 m/z 5.6% 0.00676% 480 1.3 54 4919 0.00697% 53752 53034 55422 0-3 8: 241 255 99 256 242 183 113 100 0.967 11.15 -0.7 95 94 86 99 256 17.0 10.007 -0.012 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1164 Itaconic acid 11.2152 1334.6 2.7 scans 81% 147 m/z 1.5% 0.0218% 488 0.9 92 17414 0.0234% 173680 163524 186064 1-1 12: 147 73 259 148 215 97 68 230 74 141 83 260 0.972 11.25 -2.3 92 89 91 96 259 17.8 3.720 -0.037 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1162 Fumaric acid 11.3678 1343.8 2.5 scans 98% 245 m/z 0.046% 0.609% 502 0.8 522 595669 4842465 4732944 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 74 155 84 53 59 157 58 61 0.999 11.39 -1.5 100 99 98 99 245 297.4 32.556 -0.025 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4562 1349.1 3.1 scans 82% 57 m/z 1.5% 0.0244% 510 1.0 94 18296 0.0663% 194142 193680 527180 1-0 14: 57 97 145 115 127 55 56 69 111 129 59 109 98 71 0.989 11.45 0.6 93 90 96 97 145 26.9 8.150 0.010 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1160 Serine 11.5088 1352.3 2.6 scans 97% TIC 0.12% 0.367% 515 0.9 389 229101 0.389% 2925620 2853561 3093110 0-1 0.997 11.56 -2.9 100 99 99 99 306 40.1 1.060 -0.048 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN BRA4_R~2-N1008 Thymine 11.5919 1357.3 2.7 scans 53% 255 m/z 5.0% 0.00365% 523 1.3 38 5558 29098 29098 0-1 3: 255 270 256 0.816 11.58 0.5 98 99 80 99 270 13.6 12.759 0.008 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7298 1365.6 3.3 scans 82% TIC 1.4% 0.0415% 536 0.7 116 19466 330012 293986 2-3 0.949 11.79 -3.3 88 85 92 96 262 14.0 1.437 -0.055 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1024 Threonine 11.9149 1376.8 2.6 scans 92% TIC 0.93% 0.0511% 554 1.2 150 29744 406509 386114 3-1 0.986 11.92 -0.3 100 99 98 99 320 14.0 0.868 -0.006 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN N406_R~1-N1016 b-Alanine 12.6031 1419.0 2.7 scans 61% 248 m/z 3.6% 0.0136% 619 1.1 75 7572 108504 108504 0-0 9: 248 174 290 249 175 250 130 291 86 0.752 12.60 0.0 92 92 62 98 304 6.7 0.798 0.001 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1150 Citrulline 13.0292 1445.9 2.7 scans 76% 128 m/z (350) 5.0% 0.0148% 660 1.0 79 5511 118011 114714 1-2 11: 128 243 141 115 100 169 244 142 129 153 258 0.969 13.08 -2.9 89 91 88 93 258 9.3 1.397 -0.047 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1148 Glutamine?? 13.3112 1463.6 2.9 scans 96% TIC 0.18% 0.180% 687 0.6 259 153612 0.224% 1439116 1424807 1781123 3-0 0.998 13.35 -2.3 98 96 98 99 257 21.9 0.713 -0.036 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1146 Malic acid 13.5953 1481.5 4.7 scans 98% 73 m/z 0.011% 6.98% 714 0.2 1316 2416309 55558195 54386257 1-0 20: 73 147 233 245 133 189 190 148 335 191 75 175 74 149 101 234 55 265 217 307 0.999 13.62 -1.3 100 100 100 100 350 35.7 0.074 -0.022 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1144 Contamination Parabanica acid 13.7647 1492.2 3.2 scans 35% 115 m/z 11% 0.00427% 730 1.3 37 2352 0.00463% 34013 30285 36815 1-0 4: 115 243 100 128 0.913 13.81 -2.6 84 86 64 85 243 17.2 21.491 -0.041 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0299 1509.3 2.4 scans 45% 232 m/z (73) 0.15% 0.149% 755 1.1 262 180587 1186869 1131604 1-2 20: 232 233 218 100 202 234 188 216 306 219 117 334 130 204 292 101 220 349 221 174 0.976 14.02 0.8 93 93 91 98 258 6.2 0.000 0.013 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1140 Aspartic acid 14.0341 1509.6 5.1 scans 78% 73 m/z 0.14% 0.362% 755 1.4 346 193713 0.508% 2882603 2798823 4039332 1-0 12: 73 75 74 133 149 70 131 245 135 76 150 175 1.000 14.09 -3.5 99 98 98 99 349 19.4 0.314 -0.053 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0572 1511.2 5.1 scans 93% TIC 0.075% 0.409% 758 1.0 380 368160 0.617% 3254076 3254076 4906039 0-0 0.999 14.11 -3.5 98 96 98 99 273 16.2 0.181 -0.053 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1134 GABA 14.1919 1520.1 2.6 scans 60% 174 m/z 0.39% 0.0664% 770 1.1 166 70965 0.0689% 527998 513743 547854 0-1 10: 174 304 175 305 176 86 216 100 306 172 0.981 14.24 -3.3 93 92 73 93 304 61.3 13.696 -0.050 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1032 GABA 14.1919 1520.1 2.6 scans 79% 174 m/z (142) 0.39% 0.0894% 770 1.1 191 70980 0.0928% 711152 691951 737894 0-1 10: 174 304 175 305 176 86 216 100 306 172 0.996 14.19 0.3 97 98 96 98 304 61.3 10.312 0.004 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3624 1531.4 3.8 scans 84% TIC 1.5% 0.0409% 787 0.7 106 17996 1.62% 325470 302382 12881333 0-3 0.986 14.62 -17.2 94 92 90 95 409 8.1 0.581 -0.259 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6222 1548.6 2.5 scans 97% 73 m/z 0.040% 1.28% 811 0.8 737 690719 10187758 9740550 1-1 20: 73 292 147 220 205 293 217 117 103 294 148 221 133 74 319 291 149 75 102 206 1.000 14.69 -4.6 100 99 99 100 409 56.5 0.589 -0.070 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1126 Pyrazine 15.0747 1578.6 2.6 scans 85% 227 m/z 1.3% 0.0398% 854 1.1 133 20214 317118 317118 0-0 20: 227 73 344 301 147 345 228 154 139 302 126 211 303 346 329 213 74 59 212 153 0.961 15.13 -3.8 99 98 96 98 344 40.4 9.212 -0.057 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3809 1598.9 2.7 scans 64% 217 m/z 1.8% 0.0146% 883 1.4 82 15221 0.0195% 116713 116713 155053 0-0 5: 217 218 219 103 117 0.943 15.44 -4.1 93 93 90 93 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1120 Glutamic acid 15.5040 1607.4 2.5 scans 84% TIC 1.4% 0.0233% 895 0.7 102 19238 0.0530% 185403 185403 421426 0-0 0.989 15.56 -3.9 97 97 93 97 363 10.8 1.124 -0.056 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1118 Phenylalanine 15.6081 1614.7 >3 scans 85% TIC 1.5% 0.0319% 905 0.9 114 17825 0.0813% 253974 245501 646452 1-0 0.985 15.66 -3.5 95 94 93 98 294 8.5 0.553 -0.051 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1038 Xylose 15.8922 1634.4 >3 scans 74% TIC 3.1% 0.0110% 932 0.8 74 8823 0.0995% 87987 87588 791168 1-0 0.965 15.89 0.2 90 88 87 95 307 21.0 7.931 0.002 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1040 Xylose 16.0059 1642.3 2.7 scans 88% TIC 0.56% 0.0855% 943 1.0 190 49652 680131 677070 1-1 0.956 16.00 0.2 95 93 95 99 307 47.2 6.182 0.002 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1042 Ribose 16.1048 1649.2 4.5 scans 86% TIC 1.1% 0.0481% 952 1.1 123 23320 0.260% 383237 383237 2067374 0-0 0.979 16.10 0.2 95 92 93 99 307 34.4 7.807 0.002 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1110 Ribose 16.3205 1664.1 2.7 scans 35% 103 m/z 5.9% 0.00815% 972 1.1 56 4684 0.0100% 64871 59944 79514 2-3 7: 103 307 308 258 277 160 309 0.839 16.38 -3.9 83 85 77 87 467 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6162 1684.7 3.0 scans 83% TIC 2.1% 0.0284% 1001 1.7 106 12942 0.0556% 226135 224751 442100 1-0 0.989 16.68 -4.1 98 98 93 97 497 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9276 1706.6 3.0 scans 63% 217 m/z (117) 4.1% 0.0139% 1030 1.2 73 6626 0.0917% 110651 110651 729147 0-0 9: 217 205 103 319 318 307 218 246 320 0.949 16.99 -4.5 86 88 84 89 422 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0002 1711.9 2.9 scans 71% 217 m/z (133) 1.5% 0.0434% 1037 1.4 128 18108 0.113% 345858 341900 898513 0-1 16: 217 305 319 307 205 103 204 218 129 189 320 219 308 206 243 321 0.935 17.06 -4.6 92 94 91 95 510 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1096 Putrescine 17.1896 1725.7 2.8 scans 64% 174 m/z 0.86% 0.0240% 1055 1.2 98 32317 191588 184740 1-1 14: 174 175 214 176 86 172 200 361 130 100 146 142 376 99 0.986 17.25 -4.3 98 97 95 99 458 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1044 Putrescine 17.1896 1725.7 2.8 scans 76% 174 m/z (73) 0.86% 0.0290% 1055 1.2 107 32236 230854 222602 1-1 14: 174 175 214 176 86 172 200 361 130 100 146 142 376 99 0.987 17.19 0.1 95 96 96 99 376 8.5 0.621 0.002 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3822 1739.8 2.9 scans 56% 292 m/z (345) 4.2% 0.0183% 1073 1.3 81 6496 0.0185% 145727 144759 147102 3-0 12: 292 333 293 103 217 307 334 335 319 308 294 277 0.945 17.44 -4.5 93 96 90 96 511 6.8 0.694 -0.061 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5684 1753.4 2.9 scans 87% 217 m/z 0.23% 0.135% 1091 1.3 235 118444 0.569% 1078166 1072346 4524370 1-1 18: 217 73 218 147 219 74 215 129 230 189 244 231 148 216 149 169 257 130 0.983 17.63 -4.6 96 95 94 96 450 27.6 1.380 -0.064 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1088 Glutamine?? 17.6515 1759.5 2.7 scans 68% 156 m/z (319 345) 0.77% 0.0724% 1099 1.6 168 35808 0.0908% 576073 554778 721991 2-0 15: 156 155 245 347 157 128 203 246 145 100 362 449 56 273 301 0.989 17.73 -5.4 82 85 88 88 511 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7083 1763.6 2.9 scans 78% 334 m/z (319) 0.30% 0.251% 1105 0.8 298 91415 2002666 1844930 3-3 14: 334 204 256 129 257 335 255 375 336 167 166 285 211 267 0.996 17.70 0.7 96 97 97 98 375 37.9 1.614 0.009 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1086 Fructofuranose 18.0692 1789.9 3.1 scans 57% 217 m/z (333 174) 1.1% 0.0486% 1139 1.5 129 25049 0.118% 386937 386937 938270 0-0 11: 217 437 438 218 439 257 392 230 436 303 169 0.967 18.13 -4.7 89 93 88 94 437 39.4 9.396 -0.065 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1046 Shikimic acid 18.1345 1794.7 3.5 scans 85% TIC 0.18% 0.394% 1145 0.9 281 151775 0.780% 3134098 2286905 6202123 6-1 0.954 18.13 0.7 94 94 91 98 372 32.3 1.318 0.009 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1082 Citric acid 18.2534 1803.5 3.0 scans 91% TIC 0.18% 0.370% 1156 1.3 374 150428 0.787% 2942170 2893348 6257784 0-1 0.995 18.32 -5.2 98 96 95 99 465 55.3 2.180 -0.068 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1076 Pregnane?? 18.8458 1848.7 6.9 scans 97% 345 m/z 0.0090% 11.5% 1213 0.3 1440 3081063 92220466 92190746 1-0 20: 345 73 255 346 147 347 334 191 256 204 372 133 74 257 75 148 239 149 243 335 0.999 18.86 -1.0 100 99 99 100 537 99.9 0.483 -0.012 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1050 Fructose 19.0257 1862.4 7.4 scans 97% 73 m/z 0.013% 12.1% 1230 0.5 1404 2046401 21.1% 96378965 94104344 167775391 1-0 20: 73 307 217 103 147 308 277 218 309 133 205 189 74 104 117 219 148 191 278 75 0.999 18.98 3.4 100 99 99 99 364 162.6 1.347 0.046 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1052 Fructose 19.1541 1872.2 6.2 scans 96% 554 m/z 0.014% 9.73% 1242 0.5 1371 1946832 62.7% 77404973 73783608 498555308 1-8 20: 554 366 220 555 320 556 311 523 432 377 321 524 351 233 392 468 360 345 254 301 0.999 19.10 3.8 100 99 99 99 364 163.1 1.421 0.050 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1072 Fructose 19.1572 1872.5 5.9 scans 100% 310 m/z (554) 0.012% 9.93% 1242 0.3 1422 2184816 35.0% 79014750 74728090 278300411 1-9 20: 310 366 264 376 390 337 523 359 344 144 321 391 524 233 392 468 345 301 111 83 0.999 19.03 9.5 92 93 97 94 364 167.1 1.383 0.124 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1064 Mannose 19.3698 1888.7 6.8 scans 96% 322 m/z 0.011% 12.0% 1263 0.2 1468 2366898 95824919 95792402 1-0 15: 322 364 71 365 262 118 323 134 376 467 324 555 328 80 347 1.000 19.45 -6.5 100 99 99 100 319 592.9 16.371 -0.085 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1066 Glucose 19.3698 1888.7 6.8 scans 29% 322 m/z (292) 0.015% 3.68% 1263 0.2 807 1830372 29262150 29252221 1-0 15: 322 364 71 365 262 118 323 134 376 467 324 555 328 80 347 0.610 19.40 -2.2 86 93 48 90 319 521.4 41.856 -0.029 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN BRA4_R~2-N1004 Galactose 19.3813 1889.6 6.5 scans 71% 319 m/z (322) 0.011% 8.92% 1264 0.2 1311 2342686 70981774 70843448 2-0 20: 319 73 205 147 160 320 217 321 103 206 117 229 133 157 204 129 189 148 74 161 0.879 19.36 1.5 84 95 79 86 364 0.0 0.000 0.020 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1062 Glucose 19.5834 1905.3 2.6 scans 95% TIC 0.019% 3.36% 1283 0.5 1159 1418416 26791878 24088005 2-1 0.994 19.66 -5.8 100 99 99 99 319 458.9 15.749 -0.073 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7338 1917.3 3.0 scans 70% 73 m/z 1.6% 0.0265% 1297 1.2 113 16887 0.119% 210809 197865 946221 1-0 13: 73 244 205 147 117 245 89 206 59 74 148 133 126 0.965 19.79 -4.6 84 84 85 84 434 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7875 1921.7 2.6 scans 67% 333 m/z 1.0% 0.0383% 1302 1.1 132 26692 0.0597% 305012 302946 474701 0-3 12: 333 160 334 335 364 423 314 305 161 393 274 365 0.979 19.79 -0.5 95 94 88 94 333 63.0 22.916 -0.007 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1056 Ascorbic acid 19.9211 1932.4 2.9 scans 77% 73 m/z 1.0% 0.0553% 1315 0.5 145 27713 0.158% 439751 439751 1256328 0-0 20: 73 332 147 205 117 333 374 143 334 359 133 259 345 74 206 89 148 449 361 331 0.976 19.99 -5.3 93 92 90 94 449 13.7 0.888 -0.065 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2925 1962.3 2.6 scans 93% TIC 0.24% 0.162% 1350 1.5 263 114320 1291561 1269625 0-1 0.997 20.41 -9.7 98 97 97 97 217 59.0 5.053 -0.121 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1052 Gluconic acid 2 20.5093 1979.7 >3 scans 69% TIC 2.3% 0.0181% 1371 2.3 97 11819 0.138% 144627 144627 1097299 0-0 0.974 20.60 -7.0 90 90 86 89 613 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN WTF2-N1038 C16:0 21.1459 2032.3 2.8 scans 86% 313 m/z 2.3% 0.0276% 1431 1.3 105 11878 220068 208083 1-3 18: 313 117 73 75 132 129 145 314 328 57 55 131 201 69 315 116 118 133 0.965 20.62 44.0 86 90 91 95 328 12.2 1.337 0.529 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6983 2078.7 4.4 scans 98% 305 m/z 0.013% 8.41% 1484 0.4 1510 1995076 66928233 66888895 1-0 20: 305 73 217 318 147 191 306 319 265 204 218 307 432 433 133 320 129 367 219 192 0.997 21.75 -4.2 100 100 99 100 507 116.3 0.596 -0.051 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8635 2092.6 3.2 scans 95% 319 m/z 0.19% 0.375% 1499 1.1 356 141527 2983322 2829313 2-1 20: 319 73 205 147 320 103 217 321 206 117 74 204 157 229 148 89 129 218 207 376 0.999 21.93 -5.5 96 94 97 99 656 8.5 0.057 -0.067 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1960 2121.3 2.5 scans 96% 396 m/z 0.14% 0.357% 1531 1.1 409 185887 0.371% 2845471 2766570 2949984 1-0 20: 396 219 73 397 381 398 319 191 220 307 147 382 205 249 75 293 74 320 103 221 1.000 22.19 0.8 95 92 90 100 396 166.1 16.485 0.010 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6673 2162.5 3.3 scans 88% 204 m/z 1.3% 0.0284% 1576 1.3 98 20041 0.0400% 226180 218572 318058 1-0 15: 204 73 205 217 249 147 206 361 191 131 117 103 218 219 74 0.987 22.71 -4.0 96 95 95 97 518 0.0 0.000 -0.047 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN BRA4_R~4-N1012 Spermidine 22.8936 2182.2 3.1 scans 66% 174 m/z 18% 0.00423% 1598 1.6 37 1496 0.00448% 33646 33318 35622 0-1 4: 174 201 200 172 0.968 22.90 -0.6 92 95 94 96 418 6.7 3.280 -0.006 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN WTF2-N1036 C18:0 23.3944 2227.2 3.2 scans 84% 341 m/z 4.1% 0.0182% 1645 1.7 77 6633 0.0196% 145070 128384 155848 1-2 13: 341 117 132 342 75 145 129 55 57 356 131 343 69 0.984 22.89 45.4 87 94 88 94 356 11.0 2.051 0.505 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1257 2294.0 2.7 scans 65% 204 m/z 5.5% 0.00532% 1714 1.8 45 4983 0.0111% 42350 42079 88261 0-3 3: 204 337 205 0.931 24.01 10.5 83 83 76 86 490 0.0 0.000 0.116 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6528 2343.9 3.6 scans 92% 73 m/z 0.70% 0.132% 1765 0.6 190 39734 1053531 1015707 2-2 20: 73 331 191 147 217 421 262 205 307 103 319 332 259 305 422 218 320 117 74 308 0.983 24.65 0.3 98 97 95 98 466 11.4 0.363 0.003 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7454 2352.7 2.7 scans 91% 73 m/z 1.6% 0.0366% 1773 1.2 126 16401 0.134% 291443 289949 1065493 1-0 20: 73 217 204 147 292 375 305 103 219 218 376 451 129 205 293 306 233 363 74 275 0.994 24.81 -5.7 94 93 92 93 451 15.3 1.473 -0.060 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5310 2528.7 2.6 scans 60% 512 m/z 2.2% 0.0261% 1943 1.0 108 12272 208252 200595 1-1 18: 512 455 513 247 456 514 483 57 349 457 248 263 484 497 423 179 353 498 0.974 26.57 -4.4 95 95 83 95 512 42.7 15.766 -0.042 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9035 2567.2 6.5 scans 72% TIC 6.1% 0.00715% 1978 1.6 49 4510 0.0176% 56919 56274 139945 0-2 0.993 26.39 52.6 83 91 76 91 459 8.1 2.716 0.509 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1020 Sucrose 27.4064 2619.8 7.4 scans 10% 437 m/z (361) 0.049% 1.34% 2026 1.0 470 565008 10699428 10528687 1-1 20: 437 439 452 453 345 440 127 293 317 441 206 307 366 265 292 373 349 374 158 379 0.924 27.46 -5.8 95 97 95 99 437 289.7 38.201 -0.055 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1010 Sucrose 27.4064 2619.8 7.4 scans 100% 437 m/z 0.0086% 12.6% 2026 1.0 1452 3216247 100251013 98651212 1-1 20: 437 439 452 453 345 440 127 293 317 441 206 307 366 265 292 373 349 374 158 379 0.997 27.58 -18.4 100 99 98 99 437 287.6 3.950 -0.173 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1018 Sucrose 27.4117 2620.4 7.2 scans 45% 361 m/z (73) 0.0091% 6.04% 2027 0.8 990 3027066 48032105 46316494 1-1 20: 361 362 363 451 438 364 320 71 321 365 332 221 259 141 333 220 255 294 335 464 0.917 27.47 -6.1 88 92 54 90 437 289.7 8.618 -0.058 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN TAB_REP6-N1070 Sucrose 27.4117 2620.4 7.2 scans 91% 361 m/z (437) 0.0086% 12.0% 2027 0.8 1397 3216247 95547436 92134672 1-1 20: 361 362 363 451 438 364 320 71 321 365 332 221 259 141 333 220 255 294 335 464 1.000 27.41 0.3 89 86 74 98 451 0.0 0.000 0.002 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1014 Sucrose 27.4170 2620.9 >5 scans 92% 319 m/z 0.0086% 9.05% 2027 0.3 1403 3216247 11.6% 71995515 69335337 92236708 1-0 20: 319 331 204 305 245 257 170 347 306 435 246 454 145 177 346 187 193 151 263 467 1.000 27.49 -7.8 100 100 99 100 437 288.0 4.248 -0.073 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1016 Sucrose 27.4306 2622.4 6.6 scans 50% 73 m/z (361) 0.017% 6.05% 2029 0.2 1048 1622879 48174616 46300901 1-1 20: 73 217 147 103 271 129 169 218 243 191 319 74 75 133 219 117 148 272 189 205 0.939 27.48 -4.9 89 92 95 94 437 16.5 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1008 Sucrose 27.4306 2622.4 6.6 scans 99% 73 m/z 0.0088% 11.7% 2029 0.2 1476 3151085 93218938 89593260 1-1 20: 73 217 147 103 271 129 169 218 243 191 319 74 75 133 219 117 148 272 189 205 0.999 27.59 -17.1 100 99 98 99 437 277.0 3.545 -0.160 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN LQC1-N1006 Trehalose 28.3671 2723.5 >4 scans 73% TIC 5.5% 0.00570% 2118 0.9 48 5048 0.0538% 45332 44761 427787 0-1 1.000 28.47 -11.4 91 91 80 91 565 0.0 0.000 -0.101 G:\GCMS data\Nicotiana Panel polar\N521_REP3.FIN GUA35_L1-N1020 Galactinol 30.6062 2979.6 2.7 scans 94% TIC 1.3% 0.0271% 2330 1.7 101 20120 215535 202998 2-2 1.000 30.55 7.2 83 82 91 83 641 0.0 0.000 0.061 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN EXBLK5S-N1006 Contamination 6.6035 1062.0 3.4 scans 65% TIC 1.1% 0.0207% 49 1.6 95 25373 0.101% 258588 183600 1256776 9-0 0.965 6.63 -1.3 98 98 92 98 295 29.4 9.519 -0.021 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1194 Alanine 7.4127 1110.0 9.8 scans 68% 116 m/z 1.4% 0.0403% 126 0.5 80 20711 0.0458% 502522 487405 569904 0-5 1: 116 0.965 7.40 0.5 96 95 93 96 283 3.6 0.206 0.009 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9219 1140.2 2.9 scans 74% 156 m/z 2.4% 0.0100% 174 1.1 71 12225 0.0125% 125155 117449 155542 6-1 7: 156 75 55 157 54 158 61 0.975 7.96 -2.0 99 99 95 98 156 39.2 30.190 -0.035 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1192 Contamination 8.0040 1145.1 2.8 scans 74% 73 m/z 3.0% 0.00966% 182 1.2 77 9684 0.0171% 120302 120270 212781 1-0 17: 73 147 133 220 235 146 59 148 89 103 100 72 86 160 149 131 74 0.975 7.99 0.9 98 98 94 97 235 14.5 3.515 0.015 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN WTF2-N1026 Cadaverine NC 8.1902 1156.1 3.5 scans 42% 174 m/z 12% 0.00184% 200 1.6 30 2404 0.00302% 22920 22920 37579 0-0 3: 174 175 216 0.883 7.74 26.9 84 87 73 94 216 8.2 7.557 0.454 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1188 Contamination 8.3828 1167.5 5.1 scans 87% 281 m/z 0.96% 0.0592% 218 1.5 128 30940 0.0704% 736735 606058 876010 5-0 13: 281 147 73 369 282 283 265 249 371 148 191 284 205 0.994 8.41 -1.9 99 97 83 100 369 36.3 8.074 -0.032 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1190 Contamination 8.4765 1173.1 3.2 scans 66% 73 m/z 2.4% 0.0102% 227 1.7 75 12348 0.0301% 127721 127721 374544 0-0 17: 73 140 211 198 77 70 69 126 186 215 92 113 309 74 170 63 142 0.968 8.48 -0.4 96 96 95 96 309 7.8 1.084 -0.008 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1186 Phosphate 8.5585 1177.9 2.6 scans 88% 241 m/z 0.53% 0.0311% 235 1.2 137 55604 387183 380237 1-2 19: 241 242 211 133 163 243 256 195 135 89 98 59 137 212 181 119 134 164 121 0.990 8.56 -0.1 98 96 96 99 299 0.0 0.000 -0.002 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1184 Valine 9.1772 1214.4 4.0 scans 79% 144 m/z 1.2% 0.0202% 294 0.6 88 24217 0.0235% 251888 226407 292418 5-2 10: 144 73 218 145 147 219 146 100 59 220 0.982 9.19 -0.6 99 98 94 98 218 26.6 9.214 -0.011 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1180 Benzoic acid 9.7433 1247.5 3.3 scans 57% 179 m/z 4.8% 0.00665% 348 0.9 50 6081 82795 68903 5-4 7: 179 105 135 77 180 136 194 0.970 9.76 -1.0 97 97 89 97 194 7.8 2.426 -0.016 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1178 Ethanolamine 9.9990 1262.5 4.4 scans 87% TIC 0.84% 0.0365% 372 1.0 110 35091 1.29% 454216 428729 16051888 1-0 0.988 10.03 -2.0 99 99 98 99 262 11.0 1.013 -0.035 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN VEN77_S6-N1002 Glycerol 10.1063 1268.8 3.7 scans 96% 299 m/z 0.017% 1.34% 382 0.5 747 1655595 16688818 16112929 1-1 20: 299 300 314 73 301 133 211 283 315 207 193 147 191 316 302 135 225 205 74 284 0.997 10.09 0.8 99 98 94 100 299 455.8 37.417 0.012 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2463 1277.0 2.6 scans 85% TIC 1.0% 0.0188% 395 1.3 103 29499 1.26% 234817 216869 15678588 2-3 0.981 10.24 0.4 98 97 95 98 381 12.2 1.394 0.006 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1176 Isoleucine 10.4335 1287.9 3.4 scans 84% TIC 1.0% 0.0194% 413 1.3 97 28672 0.0207% 242398 241088 257577 1-0 0.992 10.46 -1.5 99 98 95 98 260 6.9 0.512 -0.025 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN TAB_REP6-N1012 Proline 10.5209 1293.0 3.1 scans 92% 142 m/z 0.090% 0.178% 421 0.8 294 327434 1.17% 2218574 2160541 14558689 2-0 20: 142 73 143 216 147 144 74 72 75 59 66 217 244 100 133 148 68 218 170 70 0.993 10.53 -0.8 100 98 98 100 216 54.1 3.400 -0.012 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN TAB_REP6-N1014 Maleic acid 10.6040 1297.9 2.9 scans 95% 147 m/z 0.070% 0.288% 429 0.8 384 420379 1.25% 3583932 3505489 15554155 0-5 20: 147 73 245 148 75 149 83 133 74 246 115 143 84 59 170 126 58 247 66 215 0.996 10.60 0.1 99 97 98 100 245 89.0 5.370 0.002 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1170 Glycine 10.6545 1300.9 >3 scans 59% TIC 1.5% 0.00520% 434 1.4 78 19500 1.03% 64797 64797 12816624 0-0 0.989 10.69 -1.9 92 92 85 92 276 12.9 2.698 -0.032 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7576 1307.1 3.2 scans 98% 131 m/z 0.022% 1.03% 444 0.7 673 1335346 12833782 12232242 1-1 18: 131 57 175 115 221 206 116 89 71 265 87 162 220 208 102 164 207 54 0.997 10.76 -0.0 97 94 95 99 251 156.6 5.426 -0.000 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1168 Glyceric acid 11.0301 1323.5 2.5 scans 98% 73 m/z 0.043% 0.775% 470 0.7 673 677811 9655177 9345857 1-1 20: 73 147 292 189 133 205 103 293 117 102 190 148 307 75 294 74 149 191 59 101 1.000 11.05 -1.4 100 100 99 100 292 209.5 9.693 -0.024 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0827 1326.7 2.4 scans 39% 184 m/z 7.0% 0.00293% 475 1.0 43 4243 0.00382% 36498 36316 47533 0-2 5: 184 285 174 86 286 0.886 11.06 1.2 86 86 54 88 285 17.7 16.969 0.020 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN TAB_REP6-N1018 Uracil 11.1396 1330.1 2.7 scans 55% 241 m/z 7.9% 0.00358% 480 1.5 42 3760 44656 39363 1-5 5: 241 256 99 255 242 0.927 11.15 -0.5 96 96 95 100 256 14.5 11.950 -0.008 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1164 Itaconic acid 11.2206 1335.0 2.7 scans 73% 147 m/z 2.4% 0.00954% 488 0.9 71 11935 0.0103% 118725 98396 128166 1-3 7: 147 73 259 148 215 149 97 0.959 11.25 -1.9 87 84 87 93 259 13.0 3.372 -0.031 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1162 Fumaric acid 11.3679 1343.8 2.5 scans 97% TIC 0.070% 0.283% 502 0.9 411 424174 3527598 3459405 1-1 1.000 11.39 -1.5 100 99 99 100 245 230.7 31.504 -0.025 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4594 1349.3 3.3 scans 78% 57 m/z (204) 1.5% 0.0182% 511 1.1 90 19352 0.0434% 227332 217679 540040 1-0 12: 57 97 145 115 127 55 56 69 129 109 71 83 0.995 11.45 0.8 92 91 97 99 145 25.0 7.730 0.013 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1160 Serine 11.5089 1352.3 2.6 scans 94% 204 m/z 0.20% 0.148% 515 1.1 283 141901 1841927 1772304 3-1 20: 204 73 218 205 147 100 219 278 188 206 75 74 133 220 116 306 59 132 117 189 0.996 11.56 -2.9 100 99 98 99 306 28.3 1.001 -0.048 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN BRA4_R~2-N1008 Thymine 11.5973 1357.6 3.0 scans 47% 255 m/z 5.7% 0.00245% 524 1.0 34 5203 30596 30596 0-1 3: 255 270 256 0.812 11.58 0.8 97 99 82 99 270 12.7 14.068 0.013 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN TAB_REP6-N1024 Threonine 11.9171 1376.9 2.7 scans 91% 73 m/z 0.62% 0.0529% 554 1.3 173 47451 658546 635095 1-1 20: 73 218 219 117 291 292 101 147 220 57 100 74 203 128 293 75 320 132 221 129 0.979 11.92 -0.2 100 100 99 100 320 16.0 0.855 -0.004 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN N406_R~1-N1016 b-Alanine 12.6074 1419.3 2.8 scans 72% 248 m/z 4.5% 0.0101% 620 1.2 71 6494 126213 111770 1-3 13: 248 174 290 86 250 175 100 291 176 133 130 59 232 0.965 12.60 0.3 95 93 90 99 304 4.6 0.417 0.005 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1148 Glutamine?? 13.2997 1462.9 3.1 scans 90% TIC 0.34% 0.0655% 686 0.9 179 86570 0.101% 815553 758286 1256776 1-2 0.992 13.35 -3.0 99 99 98 99 257 14.2 0.629 -0.047 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1146 Malic acid 13.5954 1481.5 4.6 scans 98% 73 m/z 0.012% 4.50% 714 0.2 1211 2417124 56103472 55157858 1-0 20: 73 147 233 245 189 133 190 335 148 191 175 75 234 217 101 265 149 74 55 307 0.999 13.62 -1.3 100 100 100 100 350 32.9 0.074 -0.022 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7616 1492.0 >5 scans 52% TIC 6.5% 0.00345% 729 1.1 52 4528 2.44% 43030 43030 30361710 0-0 0.856 13.81 -2.8 90 91 73 91 243 23.7 20.626 -0.044 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1140 Aspartic acid 14.0289 1509.3 2.5 scans 33% 232 m/z (156) 0.29% 0.0575% 755 1.2 180 99778 716697 681960 1-1 16: 232 218 233 100 234 202 188 219 216 334 130 220 292 204 203 349 0.727 14.09 -3.8 93 97 56 95 349 11.9 0.435 -0.058 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0289 1509.3 2.5 scans 31% 232 m/z 0.29% 0.0530% 755 1.2 174 99778 660694 628672 1-1 16: 232 218 233 100 234 202 188 219 216 334 130 220 292 204 203 349 0.933 14.02 0.8 94 94 86 98 258 6.4 0.000 0.012 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0573 1511.2 4.3 scans 89% TIC 0.075% 0.386% 758 0.5 376 396800 4808391 4728279 1-0 0.976 14.11 -3.5 99 98 97 99 273 16.2 0.185 -0.053 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1134 GABA 14.1972 1520.4 2.9 scans 93% TIC 0.17% 0.163% 771 1.0 288 167928 0.724% 2037090 1984171 9008967 0-2 0.995 14.24 -3.0 99 98 97 98 304 87.6 9.236 -0.045 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3645 1531.5 3.3 scans 86% TIC 1.0% 0.0376% 787 0.8 122 27925 0.957% 468601 466271 11908261 0-2 0.988 14.62 -17.1 96 94 93 96 409 9.6 0.621 -0.256 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6223 1548.6 2.7 scans 96% 73 m/z 0.052% 0.673% 811 0.9 607 572591 8376438 7831230 1-1 20: 73 292 147 220 205 217 293 117 103 221 294 148 133 74 319 75 291 149 102 206 0.999 14.69 -4.6 100 99 99 99 409 44.9 0.548 -0.070 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1126 Pyrazine 15.0769 1578.8 2.9 scans 73% TIC 3.5% 0.0102% 854 1.3 75 8457 127622 126695 0-1 0.947 15.13 -3.6 88 85 77 96 344 22.1 8.735 -0.055 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3894 1599.5 3.2 scans 72% 217 m/z 0.99% 0.0231% 884 1.2 97 29979 0.0240% 288296 258251 298640 2-3 5: 217 218 219 230 333 0.979 15.44 -3.5 96 95 93 96 393 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1120 Glutamic acid 15.5041 1607.4 2.5 scans 82% TIC 1.4% 0.0164% 895 0.7 99 21209 0.0469% 204230 204230 583592 0-0 0.980 15.56 -3.9 97 97 93 96 363 11.7 1.389 -0.056 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1118 Phenylalanine 15.6114 1614.9 >2 scans 86% TIC 1.0% 0.0278% 905 0.8 128 27878 0.0816% 346712 329885 1015375 1-0 0.986 15.66 -3.3 94 93 91 97 294 9.8 0.592 -0.048 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1114 Xylose 15.8965 1634.7 5.6 scans 51% 217 m/z 2.8% 0.0168% 932 1.5 84 10532 0.108% 209590 202315 1343879 1-0 12: 217 103 307 308 309 160 277 218 104 89 233 219 0.958 16.06 -11.6 81 81 73 83 307 27.3 10.692 -0.167 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN TAB_REP6-N1038 Xylose 15.8976 1634.8 >3 scans 78% TIC 1.6% 0.0224% 932 1.3 103 17545 0.221% 278966 274838 2749975 1-0 0.979 15.89 0.6 89 85 86 97 307 27.3 7.010 0.008 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN TAB_REP6-N1040 Xylose 16.0144 1642.9 3.3 scans 92% 73 m/z 0.37% 0.105% 944 1.2 223 78964 0.162% 1312773 1312773 2015818 0-0 20: 73 103 307 217 147 308 189 160 277 218 309 74 133 205 104 204 117 75 105 234 0.980 16.00 0.8 95 92 95 99 307 61.1 7.499 0.010 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN TAB_REP6-N1042 Ribose 16.1133 1649.7 5.9 scans 76% TIC 0.86% 0.0567% 953 1.9 135 34332 0.252% 706196 706196 3135718 0-0 0.933 16.10 0.7 94 92 92 99 307 37.3 7.572 0.010 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1110 Ribose 16.3258 1664.5 3.1 scans 38% 307 m/z 4.2% 0.00708% 973 1.2 57 6933 88148 78766 3-1 5: 307 103 308 160 277 0.764 16.38 -3.5 80 83 74 89 467 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6226 1685.1 3.4 scans 82% TIC 1.8% 0.0231% 1001 1.7 104 15753 0.0463% 288220 287117 576126 1-0 0.993 16.68 -3.7 99 98 96 98 497 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0077 1712.5 3.9 scans 86% 73 m/z 0.90% 0.0624% 1038 1.3 157 32762 0.212% 777519 742438 2637985 0-5 20: 73 217 147 319 307 205 103 218 189 204 308 320 74 203 148 277 131 243 219 191 0.979 17.06 -4.0 89 86 80 93 510 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN TAB_REP6-N1044 Putrescine 17.1950 1726.1 3.3 scans 78% 174 m/z (147) 0.43% 0.0513% 1056 1.2 151 68617 639057 622334 1-1 19: 174 175 214 176 86 172 200 361 59 130 100 173 146 215 376 126 99 187 362 0.980 17.19 0.5 95 95 96 99 376 11.3 0.567 0.007 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1096 Putrescine 17.1950 1726.1 3.3 scans 64% 174 m/z 0.42% 0.0412% 1056 1.2 136 69540 513028 499603 1-1 19: 174 175 214 176 86 172 200 361 59 130 100 173 146 215 376 126 99 187 362 0.979 17.25 -3.9 98 96 95 99 458 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3886 1740.3 3.8 scans 63% 333 m/z (345) 2.6% 0.0201% 1074 1.3 86 11189 250571 224602 4-0 11: 333 292 103 307 217 334 293 294 319 308 393 0.962 17.44 -4.0 93 96 91 96 511 6.5 0.560 -0.054 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5769 1754.0 3.3 scans 92% 217 m/z 0.11% 0.226% 1092 1.1 331 264354 0.468% 2816163 2717431 5823476 1-2 20: 217 73 218 147 219 75 74 230 215 129 189 103 133 244 220 191 148 130 149 231 1.000 17.63 -4.0 94 92 95 95 450 30.8 0.868 -0.055 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7190 1764.4 3.5 scans 73% 334 m/z (217) 0.41% 0.151% 1106 0.9 244 72041 1883838 1732073 5-2 13: 334 204 256 129 335 255 375 336 167 166 285 211 267 0.994 17.70 1.5 96 97 95 97 375 30.2 1.532 0.020 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1086 Fructofuranose 18.0830 1791.0 5.2 scans 88% 73 m/z (333) 0.12% 0.574% 1140 1.8 379 234936 1.13% 7146711 6517554 14060956 2-0 19: 73 147 218 219 74 103 129 133 75 148 189 149 231 143 229 131 361 72 220 0.994 18.13 -3.6 93 94 95 97 437 111.5 8.648 -0.051 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN TAB_REP6-N1046 Shikimic acid 18.1472 1795.6 4.7 scans 53% 204 m/z (217) 0.37% 0.116% 1146 1.0 188 80129 0.143% 1455339 1309297 1779395 3-2 14: 204 255 254 372 462 358 282 283 374 359 256 464 356 239 0.993 18.13 1.6 85 82 83 97 372 22.1 1.382 0.022 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1084 Shikimic acid 18.1472 1795.6 4.7 scans 27% 204 m/z 0.36% 0.0578% 1146 1.0 135 81064 0.0708% 719916 647673 880987 3-2 14: 204 255 254 372 462 358 282 283 374 359 256 464 356 239 0.855 18.20 -3.6 95 97 86 98 462 15.7 1.344 -0.050 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1082 Citric acid 18.2545 1803.6 3.7 scans 65% 191 m/z 0.52% 0.101% 1156 1.7 199 56892 0.279% 1259905 1135988 3471687 0-10 17: 191 273 147 192 363 375 347 274 465 243 211 258 149 364 348 67 81 0.946 18.32 -5.1 80 76 70 90 465 23.1 1.350 -0.066 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.6123 1830.9 9.5 scans 74% 73 m/z (247) 0.81% 0.144% 1191 2.2 156 36405 0.152% 1798756 1759677 1891385 2-1 14: 73 217 173 316 191 147 157 204 319 245 129 55 317 89 0.972 18.67 -4.4 86 86 88 91 319 28.3 3.310 -0.057 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1076 Pregnane?? 18.8343 1847.8 9.2 scans 97% 255 m/z 0.010% 8.82% 1212 1.0 1241 2800678 109859399 106657862 1-0 20: 255 147 204 257 133 239 148 419 243 149 215 329 283 313 221 192 538 183 267 258 0.998 18.86 -1.9 100 100 99 100 537 93.4 0.570 -0.024 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1072 Fructose 19.0616 1865.2 15.9 scans 94% TIC 0.013% 13.4% 1233 0.5 1326 2200296 35.4% 167203467 167203467 440493667 0-0 1.000 19.03 2.2 99 98 98 99 364 151.5 1.310 0.029 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1070 Fructose 19.2352 1878.4 9.5 scans 99% 73 m/z 0.011% 9.71% 1250 0.2 1344 2511093 36.9% 120924761 120914509 459158653 0-1 20: 73 103 147 74 75 89 104 117 133 59 148 105 173 101 100 84 119 145 555 82 0.998 19.19 3.1 98 97 97 97 554 62.5 0.217 0.041 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN TAB_REP6-N1052 Fructose 19.2352 1878.4 >3 scans 86% TIC 0.017% 2.86% 1250 0.9 1254 1684494 37.6% 35598990 35598990 467868980 0-0 1.000 19.10 10.0 99 98 97 98 364 150.2 1.440 0.131 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1064 Mannose 19.4561 1895.3 11.1 scans 100% 73 m/z 0.011% 12.0% 1271 0.2 1394 2625287 150220443 149486154 1-0 20: 73 103 74 117 75 89 59 105 100 55 316 58 119 86 70 90 60 323 82 85 0.999 19.45 0.1 99 98 97 98 319 517.5 13.843 0.001 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1062 Glucose 19.6361 1909.5 4.0 scans 96% TIC 0.012% 5.05% 1288 0.4 1386 2364721 62962631 62433406 2-0 0.996 19.66 -1.6 100 99 99 99 319 544.7 15.498 -0.020 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1060 Lysine 19.6939 1914.1 >4 scans 23% 174 m/z 4.8% 0.00752% 1293 0.8 58 6176 0.0788% 93582 89473 980534 0-4 6: 174 317 318 156 128 230 0.833 19.69 0.0 86 87 82 88 479 0.0 0.000 0.001 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.8012 1922.8 2.6 scans 57% 333 m/z 0.83% 0.0335% 1303 1.2 136 35572 0.0496% 417367 394826 617189 1-2 11: 333 160 334 335 364 423 161 274 365 336 393 0.958 19.79 0.6 94 94 84 94 333 66.8 24.035 0.007 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN N406_R~2-N1016 Galacturonic acid 19.8886 1929.8 2.8 scans 14% 333 m/z 4.0% 0.00362% 1312 0.9 47 7306 0.0277% 45105 45105 344680 0-0 3: 333 334 335 0.928 19.79 7.7 89 90 83 93 423 6.5 1.958 0.096 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.3116 1963.8 2.6 scans 97% 204 m/z 0.023% 1.10% 1352 0.8 792 1258174 13780748 13396854 1-1 20: 204 73 191 147 217 205 206 192 218 129 189 74 133 103 148 75 193 117 203 305 1.000 20.41 -8.2 100 99 99 99 217 173.3 4.808 -0.102 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1052 Gluconic acid 2 20.5336 1981.6 2.7 scans 58% 319 m/z 1.9% 0.0150% 1373 1.0 108 14947 0.0698% 187392 187392 868544 0-0 16: 319 292 205 320 321 293 218 333 148 433 359 219 117 206 277 294 0.967 20.60 -5.1 87 87 86 87 613 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1050 Gluconic acid 20.5862 1985.9 2.9 scans 71% TIC 2.0% 0.0151% 1378 1.2 107 14534 0.154% 188877 188877 1916272 0-0 0.970 20.65 -5.0 85 85 82 85 613 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN WTF2-N1038 C16:0 21.1565 2033.2 2.7 scans 82% 313 m/z 2.1% 0.0203% 1432 1.3 103 13785 253098 235654 1-4 14: 313 117 75 132 314 129 145 55 57 201 315 118 69 74 0.974 20.62 44.9 88 94 92 96 328 11.6 1.253 0.539 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1044 myo-Inositol 21.7205 2080.5 7.3 scans 28% 434 m/z (305) 0.022% 2.74% 1486 0.1 767 1318932 34159515 33078087 1-1 19: 434 393 369 395 294 419 344 406 295 436 396 378 162 269 228 347 409 236 241 0.912 21.77 -3.9 93 95 90 98 612 37.0 0.234 -0.047 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1042 myo-Inositol 21.7205 2080.5 7.3 scans 56% 434 m/z (432) 0.020% 5.50% 1486 0.1 1086 1421539 68528308 66358828 1-1 19: 434 393 369 395 294 419 344 406 295 436 396 378 162 269 228 347 409 236 241 0.937 21.77 -4.6 83 83 81 94 318 268.0 6.102 -0.054 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.7289 2081.3 7.0 scans 97% TIC 0.013% 9.07% 1487 0.2 1447 2141752 112911688 112908211 1-0 1.000 21.75 -1.6 100 99 99 99 507 105.3 0.532 -0.020 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1040 myo-Inositol 21.7299 2081.3 6.9 scans 59% 305 m/z (432) 0.015% 5.50% 1487 0.2 1134 1935806 68469500 68453030 1-0 20: 305 73 217 318 147 191 319 265 204 218 433 133 129 74 148 192 219 291 221 103 0.830 21.78 -4.3 85 86 92 95 378 11.5 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8730 2093.4 3.0 scans 95% 319 m/z 0.16% 0.292% 1500 1.1 368 181423 3636914 3511814 1-2 20: 319 73 205 147 320 103 217 321 262 206 74 117 204 229 157 148 89 129 75 207 0.999 21.93 -4.7 96 93 97 99 656 8.1 0.049 -0.057 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1032 trans-Caffeic acid 22.2024 2121.9 2.6 scans 94% 396 m/z 0.16% 0.286% 1532 1.1 405 180088 0.375% 3559267 3317778 4666246 1-0 20: 396 73 219 319 397 381 205 147 398 191 320 307 220 103 217 382 249 321 74 75 0.999 22.25 -4.1 93 90 88 96 396 144.3 12.693 -0.048 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2024 2121.9 2.6 scans 72% 396 m/z (262) 0.15% 0.229% 1532 1.1 355 188398 0.301% 2860614 2666528 3745441 1-0 20: 396 73 219 319 397 381 205 147 398 191 320 307 220 103 217 382 249 321 74 75 0.913 22.19 1.4 93 95 90 97 396 147.0 17.171 0.016 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6643 2162.2 3.5 scans 89% 204 m/z 0.71% 0.0417% 1576 1.6 134 41618 0.0666% 519613 492177 828725 4-0 16: 204 73 205 147 217 249 117 206 131 74 103 129 362 231 250 148 0.989 22.71 -4.3 96 94 96 99 518 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN WTF2-N1036 C18:0 23.3955 2227.3 3.0 scans 79% 341 m/z 3.5% 0.0131% 1645 1.7 79 8389 0.0160% 163348 149114 199093 1-3 13: 341 117 132 342 75 145 129 55 356 57 69 343 118 0.987 22.89 45.5 88 94 89 94 356 10.6 1.816 0.507 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1226 2293.7 2.6 scans 66% 204 m/z 4.3% 0.00475% 1714 1.7 49 6915 59111 57555 0-1 3: 204 205 337 0.945 24.01 10.2 82 80 80 87 490 0.0 0.000 0.113 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6508 2343.7 3.3 scans 93% 73 m/z 0.53% 0.119% 1764 0.6 212 56183 1487230 1414490 3-1 20: 73 331 147 217 191 307 262 421 319 205 103 422 259 305 332 333 74 376 148 308 0.998 24.65 0.1 99 98 99 99 466 12.8 0.364 0.001 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7445 2352.6 2.6 scans 93% 73 m/z 0.81% 0.0559% 1773 1.3 179 36758 0.0591% 696149 679478 735400 1-0 20: 73 217 204 147 292 375 305 103 219 218 451 129 205 293 133 233 376 363 306 131 0.994 24.81 -5.8 97 96 96 96 451 21.7 1.467 -0.061 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5322 2528.8 2.8 scans 58% 512 m/z 2.4% 0.0191% 1943 1.1 101 11946 237939 229907 1-1 17: 512 455 513 247 456 483 457 514 57 349 263 484 423 248 179 515 498 0.953 26.57 -4.3 96 96 85 96 512 38.7 14.702 -0.041 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN WTF2-N1032 Sucrose 26.6490 2540.9 2.8 scans 61% 361 m/z 13% 0.00301% 1954 1.0 41 2287 37466 35720 0-1 4: 361 273 437 217 0.906 26.87 -22.8 82 85 73 85 451 4.9 1.419 -0.221 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9067 2567.5 6.4 scans 67% TIC 5.0% 0.00623% 1979 0.9 52 5851 0.0140% 77595 62492 174207 0-4 0.957 26.39 52.9 83 92 76 92 459 8.5 2.698 0.513 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1020 Sucrose 27.4076 2619.9 9.5 scans 29% 437 m/z (361) 0.020% 2.83% 2026 1.3 730 1419450 3.13% 35284385 34336933 38947604 1-0 20: 437 451 438 273 365 345 440 435 306 450 246 454 441 256 202 373 464 228 161 209 0.795 27.46 -5.7 89 87 33 99 437 265.5 13.286 -0.053 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1010 Sucrose 27.4181 2621.0 9.6 scans 98% TIC 0.0092% 10.8% 2027 0.1 1345 3235069 135581825 134796746 1-0 0.999 27.58 -17.2 100 99 98 99 437 260.3 3.772 -0.161 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1014 Sucrose 27.4192 2621.1 9.5 scans 90% 362 m/z 0.0091% 8.77% 2027 0.9 1289 3268506 9.88% 109128590 106334005 122940040 1-0 20: 362 271 319 191 219 272 189 148 149 333 206 290 317 87 232 116 274 295 277 334 1.000 27.49 -7.6 100 99 99 99 437 265.5 4.280 -0.071 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1008 Sucrose 27.4539 2624.9 9.2 scans 100% 73 m/z 0.0093% 9.61% 2031 0.2 1353 3173447 119638760 118430326 1-0 20: 73 147 103 129 169 74 75 117 133 131 143 104 130 59 69 192 101 55 81 190 1.000 27.59 -14.6 100 99 97 99 437 245.0 3.302 -0.137 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN TAB_REP6-N1070 Sucrose 27.4623 2625.8 >2 scans 69% 361 m/z (73) 0.0093% 1.53% 2032 2.1 1093 3173447 7.42% 19043850 19043850 92329464 0-0 20: 361 362 217 437 363 271 319 243 451 438 218 331 191 364 272 320 219 452 204 230 0.963 27.41 5.7 92 91 91 99 451 76.7 0.000 0.052 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN LQC1-N1006 Trehalose 28.3777 2724.7 3.0 scans 60% 361 m/z 5.4% 0.00386% 2119 0.9 46 5439 0.0285% 48132 47648 354635 0-2 4: 361 362 363 191 0.964 28.47 -10.2 90 91 80 91 565 0.0 0.000 -0.090 G:\GCMS data\Nicotiana Panel polar\N521_REP4.FIN GUA35_L1-N1020 Galactinol 30.4768 2964.2 3.2 scans 60% 204 m/z (345) 2.6% 0.0147% 2318 1.0 78 11098 0.0277% 184132 157886 344680 5-5 16: 204 217 147 191 205 361 218 129 206 306 433 103 641 133 192 243 0.977 30.55 -8.2 90 92 89 93 641 8.1 1.098 -0.068 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN EXBLK5S-N1006 Contamination 6.3163 1045.0 13.3 scans 46% 207 m/z (152) 3.1% 0.0390% 22 1.3 62 9096 327865 316016 2-0 3: 207 295 208 0.984 6.63 -18.3 93 95 84 95 295 21.0 11.668 -0.309 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1194 Alanine 7.3959 1109.0 12.1 scans 73% 116 m/z 1.5% 0.0792% 124 0.7 89 19359 0.0836% 665320 593061 701780 0-9 1: 116 0.975 7.40 -0.5 96 96 94 96 283 5.9 0.437 -0.008 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN A-KETO~2-N1006 Contamination?? 7.9241 1140.3 2.9 scans 81% TIC 2.0% 0.0155% 175 1.2 90 14014 0.0388% 130379 129790 325706 1-0 0.992 7.96 -1.9 99 98 97 98 156 47.7 27.890 -0.033 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1192 Contamination 8.0041 1145.1 2.7 scans 64% 73 m/z 6.3% 0.00626% 182 1.3 60 4558 0.0134% 52548 51012 112486 2-0 8: 73 147 220 133 235 146 72 148 0.961 7.99 0.9 87 86 86 91 235 10.8 3.204 0.015 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1188 Contamination 8.3629 1166.3 5.8 scans 84% 281 m/z 1.1% 0.0857% 216 1.6 130 25413 0.0926% 719929 537730 777330 4-0 13: 281 73 369 147 282 283 370 265 371 191 266 149 205 0.993 8.41 -3.1 99 97 84 100 369 36.9 8.065 -0.052 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1190 Contamination 8.4555 1171.8 3.2 scans 51% 73 m/z 5.8% 0.00672% 225 1.2 54 4948 0.0259% 56489 56489 217417 0-0 10: 73 140 211 77 198 70 126 117 69 186 0.975 8.48 -1.7 89 88 83 91 309 4.5 0.696 -0.029 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1186 Phosphate 8.5586 1177.9 2.5 scans 80% 241 m/z 1.2% 0.0187% 235 1.2 101 22891 157649 152957 1-2 18: 241 242 211 256 163 133 243 195 135 98 59 181 137 212 134 257 119 121 0.975 8.56 -0.1 97 95 92 98 299 0.0 0.000 -0.002 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1184 Valine 9.1762 1214.3 4.4 scans 75% 144 m/z (156) 2.6% 0.0185% 294 0.5 69 11138 156007 143352 2-4 5: 144 218 145 219 146 0.987 9.19 -0.7 94 95 92 97 218 20.5 8.780 -0.012 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1180 Benzoic acid 9.7412 1247.4 3.6 scans 57% 179 m/z 7.9% 0.00667% 347 0.9 48 3678 0.00670% 56028 55358 56243 0-1 5: 179 105 135 77 180 0.782 9.76 -1.1 91 91 85 97 194 6.5 1.850 -0.018 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1178 Ethanolamine 9.9959 1262.3 4.7 scans 84% 174 m/z 1.2% 0.0410% 371 0.8 103 23395 0.154% 344544 301470 1292752 2-0 13: 174 73 175 86 176 100 133 262 59 130 74 114 101 0.993 10.03 -2.2 99 98 96 98 262 10.9 1.112 -0.038 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN VEN77_S6-N1002 Glycerol 10.0822 1267.4 2.6 scans 94% TIC 0.047% 0.577% 380 0.9 527 610228 4849022 4729493 1-2 0.986 10.09 -0.6 100 99 97 100 299 314.4 35.729 -0.012 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2421 1276.7 2.7 scans 72% 73 m/z 3.9% 0.00605% 395 1.1 57 7451 50844 49403 0-1 6: 73 198 211 77 70 199 0.979 10.24 0.1 88 87 84 90 381 6.9 1.446 0.002 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1176 Isoleucine 10.4294 1287.7 3.1 scans 69% 158 m/z 2.2% 0.0129% 413 0.9 71 12675 0.0141% 109121 97646 118362 6-0 7: 158 218 159 219 232 160 100 0.982 10.46 -1.7 98 98 93 97 260 5.4 0.570 -0.030 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1012 Proline 10.5167 1292.8 3.1 scans 88% 142 m/z (180) 0.38% 0.0594% 421 0.9 159 75034 0.410% 499354 499354 3441742 0-0 15: 142 73 143 216 144 217 59 72 74 66 100 133 140 55 244 0.993 10.53 -1.0 98 99 98 99 216 28.8 3.276 -0.016 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1014 Maleic acid 10.5988 1297.6 2.7 scans 96% TIC 0.11% 0.255% 429 1.1 351 262224 1.42% 2145370 2137167 11920178 1-0 0.995 10.60 -0.2 99 98 99 100 245 79.0 5.068 -0.003 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1170 Glycine 10.6556 1300.9 3.8 scans 77% TIC 0.51% 0.0522% 434 1.1 171 56551 1.16% 438427 438427 9737611 0-0 0.996 10.69 -1.9 99 99 97 99 276 25.9 2.287 -0.031 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7450 1306.3 2.8 scans 95% 147 m/z 0.032% 0.946% 443 0.8 635 888593 1.16% 7941501 7642986 9737611 1-2 20: 147 73 251 76 148 149 132 58 74 133 252 177 176 75 150 59 118 62 72 134 0.994 10.76 -0.8 99 97 96 100 251 146.5 5.337 -0.013 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1168 Glyceric acid 11.0281 1323.4 2.5 scans 96% 73 m/z 0.051% 0.944% 470 0.7 683 560761 7931248 7486722 1-1 20: 73 147 292 189 133 205 103 293 117 102 190 307 148 75 294 74 59 149 101 191 1.000 11.05 -1.5 100 99 99 100 292 207.1 9.214 -0.026 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0775 1326.3 2.8 scans 40% 184 m/z 13% 0.00274% 475 0.9 34 2161 0.0136% 23056 23056 114165 0-0 4: 184 134 285 174 0.958 11.06 0.8 86 88 61 88 285 12.9 13.941 0.015 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1018 Uracil 11.1386 1330.0 2.6 scans 51% 241 m/z 13% 0.00313% 480 1.6 39 2231 26334 26334 0-0 6: 241 99 256 255 242 183 0.978 11.15 -0.6 96 98 97 99 256 13.2 11.577 -0.009 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1162 Fumaric acid 11.3616 1343.4 2.6 scans 96% 245 m/z 0.14% 0.224% 501 1.0 330 201478 1886863 1842790 1-1 20: 245 73 147 246 75 143 247 83 133 148 115 149 155 84 74 53 59 61 58 157 0.999 11.39 -1.9 100 99 99 100 245 180.7 30.088 -0.031 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4553 1349.1 3.5 scans 78% 57 m/z 2.2% 0.0173% 510 1.0 81 12992 0.0366% 145893 142972 307238 1-0 14: 57 97 145 115 127 56 69 55 129 109 59 111 128 71 0.997 11.45 0.6 93 91 95 97 145 23.5 8.297 0.009 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1160 Serine 11.5068 1352.2 2.6 scans 96% TIC 0.20% 0.222% 515 1.0 329 139226 0.237% 1866448 1815630 1989495 0-1 0.998 11.56 -3.0 100 99 98 99 306 33.4 1.030 -0.050 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN BRA4_R~2-N1008 Thymine 11.5910 1357.3 2.9 scans 62% 255 m/z 6.5% 0.00349% 523 1.2 39 4439 29331 27483 1-1 3: 255 256 270 0.963 11.58 0.5 99 99 97 100 270 13.5 12.026 0.007 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1024 Threonine 11.9151 1376.8 2.7 scans 91% TIC 0.83% 0.0550% 554 0.9 164 34859 462381 432008 1-1 0.986 11.92 -0.3 100 99 98 99 320 15.1 0.846 -0.006 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN N406_R~1-N1016 b-Alanine 12.6022 1419.0 2.7 scans 62% 248 m/z 4.4% 0.0107% 619 1.1 72 6595 90347 90347 0-0 9: 248 174 249 290 175 86 130 100 176 0.756 12.60 -0.0 93 93 64 99 304 6.8 0.910 0.000 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1148 Glutamine?? 13.2935 1462.5 2.9 scans 88% TIC 0.69% 0.0459% 685 1.0 145 41901 0.0758% 385757 367536 636302 0-2 0.988 13.35 -3.4 98 98 96 98 257 11.3 0.608 -0.054 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1146 Malic acid 13.5776 1480.4 4.2 scans 98% 73 m/z 0.013% 5.02% 712 0.4 1253 2101824 42157599 42157200 1-0 20: 73 147 233 245 133 189 190 75 148 191 175 74 55 149 101 234 265 217 59 72 1.000 13.62 -2.4 100 100 99 100 350 32.6 0.068 -0.039 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1142 Erythritol/Threitol 13.8353 1496.6 2.8 scans 83% 73 m/z 1.1% 0.0399% 736 1.5 128 25991 335252 277110 1-6 20: 73 217 147 280 205 103 204 117 189 191 307 192 281 74 293 218 133 148 206 129 0.993 13.89 -3.5 81 74 84 96 320 10.3 0.642 -0.055 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1140 Aspartic acid 14.0216 1508.8 2.5 scans 37% 232 m/z (156) 0.55% 0.0452% 754 1.3 152 52633 379798 364108 1-1 18: 232 233 218 100 202 234 188 216 219 130 334 292 221 204 220 235 203 189 0.779 14.09 -4.3 91 95 60 94 349 9.7 0.407 -0.065 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0216 1508.8 2.5 scans 32% 232 m/z 0.55% 0.0383% 754 1.3 141 52682 321851 308555 1-1 18: 232 233 218 100 202 234 188 216 219 130 334 292 221 204 220 235 203 189 0.904 14.02 0.3 91 91 83 94 258 5.4 0.000 0.005 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0437 1510.3 3.9 scans 89% TIC 0.13% 0.299% 756 0.7 324 215022 2515374 2447556 1-1 0.988 14.11 -4.4 99 97 96 99 273 12.9 0.160 -0.066 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1032 GABA 14.1899 1520.0 2.6 scans 95% 174 m/z 0.21% 0.175% 770 1.1 295 132943 0.207% 1475213 1414113 1737660 1-4 20: 174 73 304 147 175 75 305 86 176 59 143 306 216 246 100 172 133 74 130 148 0.997 14.19 0.2 100 99 99 100 304 86.9 8.676 0.002 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3593 1531.2 2.7 scans 83% 73 m/z 1.2% 0.0353% 786 1.1 127 23090 0.114% 296724 272493 956972 0-2 20: 73 292 147 220 205 293 217 103 294 221 148 149 206 133 291 74 102 130 189 129 0.991 14.62 -17.4 97 96 93 96 409 9.4 0.539 -0.262 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6192 1548.4 2.3 scans 98% 73 m/z 0.042% 0.947% 811 0.8 730 679893 7951424 7930585 1-0 20: 73 292 147 220 205 293 217 117 103 294 221 133 148 74 319 291 149 75 102 206 1.000 14.69 -4.8 100 99 99 99 409 54.2 0.552 -0.073 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3810 1598.9 2.7 scans 76% 217 m/z 0.71% 0.0287% 883 1.2 136 40865 0.0617% 241597 241597 517940 0-0 19: 217 73 218 147 219 230 191 215 189 103 74 133 305 148 59 131 169 89 243 0.981 15.44 -4.1 97 96 94 98 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1036 Glutamic acic 15.5020 1607.3 2.7 scans 73% TIC 3.2% 0.0100% 895 0.7 69 8866 0.0719% 84530 78954 603564 0-1 0.979 15.50 -0.1 96 95 92 99 363 8.0 1.320 -0.001 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1118 Phenylalanine 15.6030 1614.3 5.6 scans 91% TIC 1.3% 0.0386% 904 1.2 129 21127 0.0786% 324410 312759 659807 1-0 0.994 15.66 -3.9 95 93 92 98 294 9.3 0.520 -0.056 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1038 Xylose 15.8903 1634.3 6.0 scans 74% 217 m/z 1.8% 0.0309% 932 1.3 111 15918 0.209% 260087 255390 1754449 2-0 15: 217 73 103 307 308 218 219 147 160 89 104 233 309 277 189 0.979 15.89 0.1 91 87 89 99 307 28.4 6.500 0.000 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1040 Xylose 16.0071 1642.4 2.7 scans 91% TIC 0.33% 0.134% 943 1.0 257 87021 1127723 1061699 1-1 0.979 16.00 0.3 95 91 95 100 307 66.4 6.688 0.003 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1042 Ribose 16.1039 1649.1 3.0 scans 83% 73 m/z 1.1% 0.0407% 952 0.8 132 24957 0.252% 341849 320847 2115412 0-10 20: 73 103 307 217 147 308 160 189 89 218 277 309 133 74 104 205 105 117 233 219 0.979 16.10 0.1 96 95 94 99 307 37.5 8.052 0.001 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.2280 1657.7 3.0 scans 41% 290 m/z 5.9% 0.00339% 964 1.8 35 4872 28480 26706 1-4 3: 290 291 292 0.907 16.28 -3.4 90 90 58 92 392 7.9 5.056 -0.048 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1110 Ribose 16.3133 1663.6 >4 scans 61% TIC 2.3% 0.0176% 972 2.9 82 12505 0.0334% 148200 143050 280376 0-1 0.968 16.38 -4.4 86 85 84 90 467 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6163 1684.7 3.0 scans 82% TIC 1.7% 0.0297% 1001 1.6 119 16946 0.0595% 249434 249434 499472 0-0 0.993 16.68 -4.1 98 97 94 97 497 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9278 1706.6 2.9 scans 79% 103 m/z (117) 1.8% 0.0292% 1030 1.5 114 15679 0.106% 245749 245749 889816 0-0 9: 103 205 307 218 308 204 206 203 309 0.991 16.99 -4.5 94 95 94 95 422 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0014 1712.0 3.6 scans 86% TIC 0.57% 0.120% 1037 1.3 210 50372 0.337% 1011082 950299 2828944 0-2 0.955 17.06 -4.5 94 93 93 94 510 5.8 0.077 -0.061 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1044 Putrescine 17.1898 1725.7 2.9 scans 80% 174 m/z (73) 0.70% 0.0387% 1055 1.2 130 41064 325385 311781 1-1 17: 174 175 214 176 200 86 172 100 361 130 126 146 142 362 114 158 376 0.998 17.19 0.1 95 95 96 99 376 8.8 0.454 0.002 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1096 Putrescine 17.1898 1725.7 2.9 scans 65% 174 m/z 0.70% 0.0312% 1055 1.2 118 41078 262492 251518 1-1 17: 174 175 214 176 200 86 172 100 361 130 126 146 142 362 114 158 376 0.995 17.25 -4.3 99 98 97 99 458 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3802 1739.7 3.0 scans 63% 292 m/z (345) 3.9% 0.0151% 1073 1.2 80 7309 0.0157% 127127 126623 131794 2-0 10: 292 333 103 307 217 334 335 293 294 308 0.974 17.44 -4.6 92 94 91 94 511 6.1 0.566 -0.063 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5664 1753.2 2.9 scans 92% 217 m/z 0.18% 0.180% 1091 1.1 291 156867 0.285% 1514657 1435071 2392430 0-2 20: 217 73 218 147 219 75 74 189 133 129 230 215 244 103 130 148 220 231 149 191 0.999 17.63 -4.8 94 92 94 94 450 26.7 0.840 -0.066 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7053 1763.4 3.4 scans 87% TIC 0.24% 0.302% 1104 0.7 325 117268 0.380% 2535972 2431548 3189907 1-0 0.975 17.70 0.5 99 99 96 99 375 35.7 1.202 0.006 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1086 Fructofuranose 18.0683 1789.9 3.5 scans 34% 217 m/z (191) 1.9% 0.0217% 1139 1.7 87 14586 0.0493% 182337 182337 413848 0-0 8: 217 437 438 218 439 257 230 440 0.936 18.13 -4.7 86 88 71 89 437 31.9 13.506 -0.066 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1346 1794.7 4.2 scans 76% TIC 0.36% 0.262% 1145 0.8 238 80602 0.371% 2200648 1771902 3114356 3-0 0.895 18.13 0.7 95 95 93 99 372 25.4 1.140 0.010 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1082 Citric acid 18.2504 1803.3 2.7 scans 71% 273 m/z (370) 0.96% 0.0616% 1156 1.1 169 30121 0.0688% 517205 494506 577541 3-1 13: 273 363 375 347 274 465 211 376 348 257 364 466 275 0.986 18.32 -5.4 94 95 90 97 465 25.5 2.266 -0.071 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1048 Citric acid 18.2504 1803.3 2.7 scans 72% 273 m/z 0.89% 0.0617% 1156 1.1 171 32391 0.0689% 517975 495243 578380 3-1 13: 273 363 375 347 274 465 211 376 348 257 364 466 275 0.978 18.24 0.5 96 95 94 99 465 25.7 2.259 0.006 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1076 Pregnane?? 18.8143 1846.3 5.0 scans 98% 345 m/z 0.011% 7.18% 1210 0.8 1375 2608306 60297195 59483223 1-0 20: 345 73 346 255 147 347 334 191 256 204 435 372 419 133 74 257 148 239 348 75 0.999 18.86 -3.4 100 99 99 100 537 103.7 0.572 -0.044 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1074 Adenine 18.8838 1851.6 3.7 scans 11% 264 m/z 7.3% 0.00158% 1216 1.4 31 3941 0.126% 13336 13336 1057706 0-0 3: 264 279 265 1.000 18.94 -4.3 88 90 75 90 415 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1050 Fructose 19.0227 1862.2 10.3 scans 89% 309 m/z 0.014% 10.5% 1229 0.4 1430 2041223 24.7% 88837077 84521785 207343948 1-0 20: 309 364 71 335 206 279 177 256 175 100 235 159 126 145 257 54 58 209 215 144 1.000 18.98 3.2 100 99 99 99 364 171.6 1.445 0.043 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1072 Fructose 19.0290 1862.7 10.3 scans 95% 73 m/z 0.012% 13.1% 1230 0.4 1496 2269896 27.7% 110388561 104481246 232527424 1-0 20: 73 217 147 308 277 218 133 205 189 74 278 104 117 365 148 105 172 75 131 173 1.000 19.03 -0.3 100 98 99 99 364 171.7 1.323 -0.004 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1070 Fructose 19.1763 1873.9 7.6 scans 100% 554 m/z 0.012% 5.66% 1244 1.3 1520 2329887 68.1% 47596701 46299568 571664894 0-7 20: 554 466 337 215 351 367 557 432 467 570 289 321 345 316 274 312 226 375 379 436 1.000 19.19 -1.4 99 98 98 99 554 79.1 0.272 -0.018 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1052 Fructose 19.1816 1874.3 6.8 scans 96% 73 m/z 0.012% 11.2% 1245 0.2 1538 2297856 27.8% 94633081 91628849 233366873 0-1 20: 73 217 103 307 147 308 218 277 205 133 309 74 117 364 104 189 262 89 219 191 1.000 19.10 5.9 100 99 98 99 364 177.3 1.333 0.078 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1064 Mannose 19.3783 1889.3 8.9 scans 99% 320 m/z 0.012% 15.8% 1263 0.8 1579 2349946 133427501 133302237 1-0 20: 320 321 206 307 218 191 230 118 278 208 275 135 279 309 113 464 390 173 119 330 0.996 19.45 -5.9 100 99 98 100 319 617.0 15.333 -0.077 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1066 Glucose 19.4130 1892.0 >2 scans 40% 364 m/z 0.015% 1.00% 1267 1.8 840 1930406 5.01% 8467651 8275679 42056404 0-1 20: 364 365 464 466 344 390 350 378 332 377 333 448 336 554 359 351 303 334 381 433 1.000 19.40 1.1 84 82 62 85 319 559.3 44.804 0.014 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5267 1900.7 3.2 scans 23% 174 m/z (273) 0.87% 0.0235% 1277 1.3 94 33381 0.0350% 197875 188201 293807 1-0 7: 174 338 86 176 339 340 250 0.994 19.49 2.9 80 82 60 83 338 23.6 6.279 0.037 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1062 Glucose 19.6003 1906.6 3.3 scans 97% 319 m/z 0.016% 4.77% 1284 0.4 1362 1771660 40075978 39907989 2-0 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 129 74 157 204 148 189 207 0.999 19.66 -4.5 100 98 99 100 319 535.8 15.539 -0.056 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7340 1917.4 >5 scans 38% TIC 5.0% 0.00442% 1297 1.6 67 5756 0.0709% 37162 32836 595169 1-0 0.872 19.79 -4.5 85 88 75 86 434 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN N406_R~2-N1016 Galacturonic acid 19.7887 1921.8 2.5 scans 43% 333 m/z 1.6% 0.0170% 1302 1.2 94 17815 0.0227% 143418 142288 190555 0-2 10: 333 160 334 335 364 274 161 423 314 365 0.779 19.79 -0.3 94 92 82 99 423 11.9 1.622 -0.004 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7897 1921.8 7.6 scans 64% TIC 1.6% 0.0181% 1302 1.7 114 17815 0.118% 152062 152062 990550 0-0 0.987 19.79 -0.4 93 93 86 93 333 53.7 22.251 -0.004 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1056 Ascorbic acid 19.9234 1932.6 3.3 scans 64% TIC 2.7% 0.0142% 1315 0.8 98 10768 0.118% 119743 119743 990550 0-0 0.982 19.99 -5.1 82 81 79 85 449 8.8 0.804 -0.063 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2927 1962.3 2.6 scans 91% 204 m/z 0.44% 0.0896% 1350 1.3 213 65266 0.151% 752404 724837 1267568 0-6 19: 204 73 191 147 205 217 206 192 129 133 189 193 74 218 103 148 117 345 291 0.990 20.41 -9.7 97 95 96 97 217 48.3 5.126 -0.121 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1052 Gluconic acid 2 20.5179 1980.4 7.2 scans 68% 292 m/z 2.9% 0.0146% 1372 1.2 95 9778 0.0593% 122976 122976 497793 0-0 18: 292 73 319 205 333 147 217 293 320 433 103 218 321 307 148 334 294 306 0.986 20.60 -6.3 90 90 87 90 613 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN WTF2-N1038 C16:0 21.1502 2032.6 3.0 scans 81% 313 m/z 5.8% 0.0124% 1432 1.4 71 4977 0.0142% 104344 101122 119202 1-0 8: 313 117 132 129 314 55 145 57 0.974 20.62 44.3 84 89 85 93 328 7.2 1.047 0.533 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6963 2078.5 4.1 scans 98% 305 m/z 0.015% 7.42% 1484 0.3 1554 1927656 62344709 61105364 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 320 433 367 133 129 291 148 0.999 21.75 -4.4 100 100 100 100 507 121.4 0.612 -0.053 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8615 2092.4 3.0 scans 97% 73 m/z 0.15% 0.411% 1499 1.1 413 186368 3454149 3366109 1-2 20: 73 319 205 147 320 217 103 321 206 117 74 133 204 229 89 148 157 129 218 149 0.998 21.93 -5.7 96 94 96 99 656 9.5 0.053 -0.068 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1032 trans-Caffeic acid 22.1940 2121.1 2.5 scans 95% 73 m/z 0.20% 0.286% 1531 1.0 389 144300 0.356% 2400935 2300459 2988439 1-0 20: 73 396 219 319 397 381 205 147 398 191 220 307 320 103 217 382 74 293 75 133 1.000 22.25 -4.9 92 90 88 95 396 138.6 12.682 -0.056 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6664 2162.4 3.4 scans 91% 204 m/z 1.1% 0.0378% 1576 1.2 122 25622 0.0628% 317984 309136 527174 1-0 19: 204 73 205 147 217 145 249 206 117 131 191 103 133 74 263 219 218 362 231 0.995 22.71 -4.1 97 96 97 98 518 0.0 0.000 -0.048 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6498 2343.6 3.4 scans 93% 73 m/z 0.53% 0.132% 1764 1.1 232 54826 0.163% 1111288 1079498 1368302 0-1 20: 73 147 191 331 217 205 262 319 307 103 421 332 259 422 305 74 192 218 148 376 1.000 24.65 0.0 99 98 99 99 466 14.3 0.379 -0.000 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7435 2352.5 2.7 scans 90% 73 m/z 1.2% 0.0479% 1773 1.3 154 23579 0.172% 402206 378769 1443853 1-0 20: 73 217 204 147 292 375 103 305 219 218 205 451 333 129 148 293 233 206 74 376 0.998 24.81 -5.9 95 94 94 94 451 18.6 1.467 -0.062 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4386 2519.2 8.1 scans 71% TIC 4.0% 0.0115% 1934 1.7 75 7198 0.0745% 96746 96746 625390 0-0 0.978 26.52 -8.4 86 86 78 86 740 9.3 1.513 -0.082 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5301 2528.6 2.7 scans 53% 512 m/z 3.6% 0.0159% 1943 0.9 89 7974 133938 129856 1-1 14: 512 455 456 513 247 483 57 457 263 497 484 423 249 179 0.948 26.57 -4.5 94 94 77 94 512 35.9 16.310 -0.043 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1018 Sucrose 27.4087 2620.0 8.8 scans 73% 362 m/z (217) 0.0089% 9.73% 2026 1.1 1308 3239912 11.0% 81684641 79085694 92339410 1-0 18: 362 364 320 245 305 345 221 293 274 347 87 294 248 378 174 334 309 407 0.967 27.47 -6.5 85 87 73 86 437 301.2 5.328 -0.061 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1014 Sucrose 27.4087 2620.0 8.8 scans 87% 362 m/z 0.0091% 11.3% 2026 1.1 1433 3172556 12.8% 95465680 92428264 107449496 1-0 18: 362 364 320 245 305 345 221 293 274 347 87 294 248 378 174 334 309 407 1.000 27.49 -8.7 100 100 99 100 437 301.2 4.450 -0.081 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1010 Sucrose 27.4161 2620.8 8.7 scans 99% 363 m/z 0.0089% 14.6% 2027 0.1 1535 3239912 122898689 122886716 1-0 20: 363 218 319 331 204 259 273 130 206 220 435 292 175 109 246 142 348 289 463 277 0.998 27.58 -17.4 100 99 98 99 437 298.5 3.806 -0.163 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1016 Sucrose 27.4234 2621.6 8.7 scans 51% 217 m/z (361) 0.018% 7.51% 2028 0.2 1101 1586184 63069746 63010262 1-0 20: 217 271 219 272 191 229 244 231 203 157 332 155 193 163 192 306 464 366 346 303 0.948 27.48 -5.7 89 91 95 94 437 17.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1012 Sucrose 27.4424 2623.6 8.4 scans 40% 73 m/z (361) 0.016% 5.51% 2030 0.2 970 1732788 46290200 46135327 1-0 20: 73 147 103 271 169 129 243 218 74 191 75 117 133 149 148 204 131 143 157 104 0.923 27.50 -6.3 81 84 91 91 437 16.6 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1008 Sucrose 27.4424 2623.6 8.4 scans 100% 73 m/z 0.0089% 13.5% 2030 0.2 1544 3246147 113966662 113585363 1-0 20: 73 147 103 271 169 129 243 218 74 191 75 117 133 149 148 204 131 143 157 104 0.998 27.59 -15.9 100 99 97 99 437 282.1 3.358 -0.149 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN LQC1-N1006 Trehalose 28.3672 2723.5 3.2 scans 46% 361 m/z 12% 0.00206% 2118 1.1 30 2372 0.00521% 17308 17046 43735 0-1 3: 361 362 191 0.885 28.47 -11.4 84 87 63 86 565 0.0 0.000 -0.101 G:\GCMS data\Nicotiana Panel polar\N521_REP6.FIN GUA35_L1-N1020 Galactinol 30.4758 2964.1 3.0 scans 84% 204 m/z (345) 1.3% 0.0417% 2318 1.2 130 21210 350462 321685 7-4 20: 204 73 217 191 147 205 305 129 433 206 103 361 306 362 192 243 319 148 169 641 0.992 30.55 -8.3 93 94 93 95 641 11.4 0.768 -0.069 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN EXBLK5S-N1006 Contamination 6.5899 1061.2 2.7 scans 82% 207 m/z 0.62% 0.0566% 48 1.6 145 47053 0.0820% 566271 402880 819620 15-5 19: 207 73 295 208 209 191 296 297 279 193 189 74 192 133 247 177 210 298 265 0.983 6.63 -2.1 99 99 96 99 295 43.2 8.920 -0.035 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.7593 1071.3 7.7 scans 34% 117 m/z 6.9% 0.00698% 64 0.8 49 4213 0.0227% 69837 56412 226895 0-10 4: 117 147 191 190 0.907 6.82 -3.6 90 91 88 97 295 3.4 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1194 Alanine 7.3780 1107.9 6.0 scans 50% TIC 7.2% 0.00337% 123 0.5 39 4045 0.0268% 33773 33773 267876 0-0 0.926 7.40 -1.6 88 89 83 89 283 4.1 1.142 -0.026 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN A-KETO~2-N1006 Contamination?? 7.8799 1137.7 2.6 scans 89% 156 m/z 0.96% 0.0292% 170 1.4 123 30339 0.0409% 292418 284247 408811 1-0 16: 156 75 55 73 157 54 61 76 158 59 74 72 82 60 53 126 0.988 7.96 -4.5 99 99 98 99 156 67.0 29.436 -0.077 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1192 Contamination 7.9598 1142.4 2.6 scans 87% 147 m/z 1.6% 0.0225% 178 1.0 117 18156 0.0338% 225654 225654 337843 0-0 20: 147 73 133 220 235 59 146 72 148 100 89 86 103 160 221 149 152 74 70 131 0.994 7.99 -1.8 99 99 98 99 235 21.9 3.488 -0.029 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1188 Contamination 8.3744 1167.0 4.2 scans 93% TIC 0.93% 0.0596% 217 1.2 139 31167 0.0861% 596707 528292 860601 6-0 0.997 8.41 -2.4 99 97 85 100 369 40.9 8.719 -0.041 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1190 Contamination 8.4228 1169.9 3.0 scans 67% 73 m/z 3.0% 0.0122% 222 1.5 80 9688 0.0239% 122780 122117 238889 0-2 18: 73 140 211 77 198 69 70 126 186 113 309 142 117 92 78 170 199 255 0.990 8.48 -3.6 92 90 89 95 309 8.9 1.242 -0.061 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1186 Phosphate 8.5217 1175.7 2.5 scans 74% 241 m/z 2.1% 0.00936% 231 1.1 70 13605 93634 89927 1-3 9: 241 242 211 133 163 243 195 256 59 0.969 8.56 -2.3 96 95 88 97 299 0.0 0.000 -0.039 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1184 Valine 9.1509 1212.9 2.9 scans 69% TIC 4.7% 0.00328% 291 1.1 46 6155 0.0136% 32799 30637 135937 2-0 0.955 9.19 -2.1 91 90 85 94 218 14.1 9.497 -0.037 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1180 Benzoic acid 9.7181 1246.1 3.1 scans 81% TIC 2.5% 0.0137% 345 1.0 78 11266 0.0155% 137809 127818 154928 1-2 0.938 9.76 -2.4 96 95 91 98 194 11.6 2.188 -0.041 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1178 Ethanolamine 9.9906 1262.0 3.2 scans 92% 174 m/z 0.66% 0.0434% 371 1.0 134 43842 0.150% 434388 383282 1499305 7-0 20: 174 73 175 147 86 100 176 59 133 130 262 131 114 74 101 117 188 172 263 87 0.997 10.03 -2.5 99 99 98 99 262 14.2 1.118 -0.043 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN VEN77_S6-N1002 Glycerol 10.0621 1266.2 2.6 scans 92% TIC 0.049% 0.462% 378 1.2 479 593460 0.493% 4622120 4028195 4927716 2-3 0.979 10.09 -1.8 100 100 99 100 299 296.3 38.361 -0.032 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LACTIC~1-N1034 Glycerol 10.0863 1267.6 3.4 scans 37% 205 m/z (299) 1.1% 0.0554% 380 0.9 143 26227 0.0652% 553943 500491 651698 1-3 10: 205 117 218 206 204 129 175 220 293 217 0.971 10.11 -1.4 94 96 94 98 293 10.1 0.496 -0.024 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2263 1275.8 2.6 scans 91% 73 m/z 0.77% 0.0341% 394 1.3 130 37680 341124 303949 1-4 19: 73 198 77 211 199 70 74 239 72 142 92 170 143 63 56 100 104 78 213 0.992 10.24 -0.8 99 99 97 99 381 15.0 1.337 -0.014 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1176 Isoleucine 10.4157 1286.9 2.6 scans 57% 158 m/z 6.7% 0.00238% 411 1.2 34 4344 23845 21844 1-2 2: 158 159 0.978 10.46 -2.5 90 91 78 91 260 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1174 Proline 10.5009 1291.9 2.8 scans 62% 142 m/z 2.7% 0.00596% 420 1.3 52 10801 0.0127% 59643 53883 126941 3-1 3: 142 143 216 0.949 10.55 -2.5 94 94 85 93 142 40.0 58.924 -0.044 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5893 1297.0 2.6 scans 97% 147 m/z 0.067% 0.332% 428 0.9 422 434828 3318734 3197444 1-4 20: 147 73 245 148 75 149 83 133 74 246 115 143 170 59 84 126 58 66 247 215 0.996 10.60 -0.8 99 98 98 99 245 97.2 5.317 -0.013 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1170 Glycine 10.6440 1300.2 3.1 scans 37% 174 m/z 3.5% 0.00455% 433 1.0 49 8290 0.0247% 45488 45488 246886 0-0 8: 174 248 175 86 276 100 176 249 1.000 10.69 -2.6 84 85 62 85 276 10.8 4.865 -0.043 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7366 1305.8 3.0 scans 95% TIC 0.028% 0.944% 442 1.0 642 1028031 9441952 9185051 1-1 0.976 10.76 -1.3 99 98 98 99 251 151.3 5.578 -0.021 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1168 Glyceric acid 11.0081 1322.2 2.5 scans 96% 73 m/z 0.21% 0.177% 468 1.1 312 132715 1775669 1661157 1-3 20: 73 147 292 189 133 293 103 205 117 190 102 307 148 75 294 74 59 101 149 191 0.999 11.05 -2.7 100 99 99 100 292 93.9 9.051 -0.046 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0670 1325.7 2.6 scans 41% 184 m/z 12% 0.00286% 473 1.1 39 2405 0.00519% 28648 26597 51876 0-2 5: 184 285 134 174 77 0.967 11.06 0.2 87 89 70 89 285 13.7 12.518 0.004 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN TAB_REP6-N1018 Uracil 11.1270 1329.3 2.6 scans 62% 241 m/z 9.7% 0.00314% 479 1.5 41 3005 31436 31436 0-1 5: 241 255 99 256 242 0.925 11.15 -1.3 96 96 95 99 256 13.4 10.966 -0.021 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1164 Itaconic acid 11.2069 1334.1 2.7 scans 84% 147 m/z 2.2% 0.0119% 487 1.2 76 12827 0.0124% 119205 104428 123943 3-2 12: 147 73 148 75 215 259 97 133 230 74 141 67 0.989 11.25 -2.8 93 92 91 93 259 14.7 3.717 -0.045 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1162 Fumaric acid 11.3563 1343.1 2.5 scans 96% 245 m/z 0.10% 0.232% 501 0.9 362 282530 2320699 2122043 1-2 20: 245 147 73 246 75 143 247 83 133 148 149 115 155 74 84 53 59 61 157 58 1.000 11.39 -2.2 100 99 99 99 245 204.4 31.939 -0.037 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4500 1348.8 3.0 scans 82% 57 m/z 1.8% 0.0194% 510 1.2 97 15974 0.0494% 194285 193862 493771 1-0 17: 57 97 145 115 127 55 69 56 129 59 109 83 128 85 72 87 58 0.976 11.45 0.3 88 84 89 95 145 25.8 7.091 0.004 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1160 Serine 11.4973 1351.6 2.7 scans 92% TIC 1.0% 0.0365% 514 1.4 135 26848 0.282% 365462 344211 2818694 0-1 0.998 11.56 -3.6 99 98 97 98 306 14.6 1.168 -0.060 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN BRA4_R~2-N1008 Thymine 11.5868 1357.0 3.0 scans 35% 255 m/z 22% 0.000779% 523 1.6 18 1290 7786 7786 0-0 1: 255 0.774 11.58 0.2 91 97 78 96 270 7.0 14.240 0.003 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7204 1365.0 3.1 scans 74% 147 m/z 3.1% 0.0128% 535 1.3 75 9143 128729 114526 2-3 15: 147 73 247 101 116 148 103 102 75 149 59 217 131 262 87 0.924 11.79 -3.9 89 88 90 95 262 8.5 1.283 -0.065 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1154 Threonine 11.9109 1376.5 3.2 scans 77% TIC 4.7% 0.00982% 554 1.4 64 6209 0.0105% 98198 86605 104951 0-4 0.929 11.96 -3.0 95 95 89 95 320 5.1 0.626 -0.049 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2734 1461.2 3.0 scans 33% 247 m/z 16% 0.00182% 683 1.3 31 1760 18257 18257 0-0 1: 247 0.724 13.31 -2.1 82 85 47 84 349 5.1 2.766 -0.033 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1148 Glutamine?? 13.2955 1462.6 2.8 scans 50% 155 m/z (247) 5.7% 0.00331% 685 1.1 41 5111 0.00356% 33173 33173 35584 0-0 2: 155 229 0.971 13.35 -3.3 87 90 83 89 257 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1146 Malic acid 13.5954 1481.5 5.0 scans 98% 147 m/z 0.012% 5.57% 714 0.2 1285 2341064 55708969 55485117 1-0 20: 147 73 233 245 133 189 335 190 175 191 148 75 234 265 217 149 307 74 101 55 1.000 13.62 -1.3 100 100 100 100 350 35.6 0.077 -0.022 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN TAB_REP6-N1028 Aspartic acid 14.0237 1508.9 2.6 scans 26% 232 m/z 2.1% 0.00792% 754 1.4 64 13368 79191 79191 0-1 7: 232 218 233 188 202 234 216 0.911 14.02 0.4 89 90 80 92 258 3.9 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0479 1510.5 3.3 scans 92% TIC 0.24% 0.118% 757 0.8 223 118376 1186843 1148414 1-1 0.993 14.11 -4.2 99 97 97 99 273 9.2 0.169 -0.062 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1134 GABA 14.1899 1520.0 7.1 scans 78% TIC 2.4% 0.0139% 770 1.2 85 12131 0.0519% 139250 132292 518760 2-0 0.986 14.24 -3.4 94 93 91 95 304 26.2 9.590 -0.052 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3635 1531.5 4.5 scans 79% TIC 3.6% 0.0142% 787 1.1 68 8091 0.119% 142176 134897 1189449 0-2 0.927 14.62 -17.1 88 88 83 91 409 3.3 0.239 -0.257 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6118 1547.9 2.7 scans 94% TIC 0.57% 0.0671% 810 1.2 185 50668 670896 652133 1-1 0.993 14.69 -5.3 100 99 97 99 409 14.4 0.600 -0.080 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN A-KETO~2-N1004 a-Ketoglutaric acid 1MEOX 2TMS STD 14.8349 1562.7 2.8 scans 78% 73 m/z 2.3% 0.0150% 832 1.3 86 12598 0.0219% 150241 143537 218899 3-3 14: 73 75 156 198 288 304 55 89 74 59 202 112 229 170 0.958 14.90 -4.3 83 80 86 88 304 13.3 2.414 -0.065 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3873 1599.4 3.0 scans 77% 217 m/z 0.95% 0.0185% 884 1.2 109 30559 0.0334% 185836 185836 333845 0-0 13: 217 73 218 219 147 230 103 129 215 189 305 133 74 0.985 15.44 -3.6 95 94 93 97 393 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN TAB_REP6-N1036 Glutamic acic 15.5052 1607.5 2.6 scans 65% 246 m/z 5.0% 0.00491% 895 1.1 53 5767 49105 48597 0-1 5: 246 128 247 348 156 0.954 15.50 0.1 95 94 92 99 363 6.7 1.605 0.002 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN TAB_REP6-N1038 Xylose 15.8945 1634.5 >3 scans 85% TIC 2.3% 0.0195% 932 1.2 94 12169 0.0337% 195597 195597 336844 0-0 0.993 15.89 0.3 92 88 88 98 307 24.4 6.722 0.004 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN TAB_REP6-N1040 Xylose 16.0102 1642.6 2.8 scans 93% 73 m/z 0.56% 0.0723% 943 1.2 193 51794 722981 691170 1-1 20: 73 103 307 217 147 189 308 277 160 218 74 309 133 205 204 117 104 234 75 89 0.999 16.00 0.5 96 93 95 99 307 54.7 8.085 0.006 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.2312 1657.9 3.0 scans 49% 290 m/z 4.5% 0.00368% 964 2.0 39 6349 0.00390% 36782 36782 38982 0-0 4: 290 291 330 158 0.928 16.28 -3.2 91 91 58 94 392 7.4 3.699 -0.045 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1110 Ribose 16.3238 1664.4 2.7 scans 42% 307 m/z 5.3% 0.00552% 973 1.0 55 5436 55228 55228 1-0 4: 307 308 160 277 0.895 16.38 -3.6 85 86 80 88 467 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6194 1684.9 3.3 scans 79% TIC 3.6% 0.0142% 1001 1.9 80 8071 0.0298% 142298 141345 297862 1-0 0.983 16.68 -3.9 96 96 91 96 497 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9414 1707.6 4.3 scans 63% TIC 4.6% 0.00908% 1032 1.1 70 6298 0.158% 90843 90843 1579268 0-0 0.970 16.99 -3.5 90 90 86 91 422 0.0 0.000 -0.048 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0045 1712.2 5.3 scans 74% TIC 1.5% 0.0400% 1038 1.8 120 19298 0.184% 400757 400757 1839148 0-0 0.931 17.06 -4.3 93 93 89 93 510 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1096 Putrescine 17.1939 1726.1 3.0 scans 25% 174 m/z 7.6% 0.00201% 1056 1.2 30 3811 20120 18324 1-1 2: 174 175 0.964 17.25 -3.9 87 87 82 90 458 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5759 1753.9 3.1 scans 93% TIC 0.17% 0.192% 1092 1.3 289 170250 1.07% 1923801 1868785 10695044 1-0 0.992 17.63 -4.1 96 95 95 97 450 32.5 1.259 -0.056 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7190 1764.4 5.4 scans 83% TIC 0.14% 0.569% 1106 0.6 398 196104 0.812% 5696744 5318592 8116239 1-5 0.945 17.70 1.5 98 98 95 99 375 45.7 1.320 0.020 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1086 Fructofuranose 18.0757 1790.4 4.0 scans 55% 217 m/z (145) 1.5% 0.0422% 1139 1.5 117 19197 0.0914% 422554 400219 913577 4-0 14: 217 437 316 438 439 218 219 257 230 317 215 303 435 440 0.951 18.13 -4.2 90 91 87 95 437 32.0 7.439 -0.058 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1084 Shikimic acid 18.1409 1795.2 3.4 scans 26% 204 m/z 0.74% 0.0312% 1146 1.0 112 39398 312695 294172 5-1 17: 204 255 357 254 372 373 239 462 331 358 447 167 282 151 195 283 463 0.476 18.20 -4.0 88 92 78 96 462 11.5 1.055 -0.056 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN TAB_REP6-N1046 Shikimic acid 18.1409 1795.2 3.4 scans 64% 204 m/z (437) 0.74% 0.0765% 1146 1.0 173 39057 765361 720022 5-1 17: 204 255 357 254 372 373 239 462 331 358 447 167 282 151 195 283 463 0.934 18.13 1.2 90 89 90 98 372 16.5 0.911 0.016 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1082 Citric acid 18.2588 1803.9 3.0 scans 92% 273 m/z 0.17% 0.319% 1157 0.9 391 166803 0.402% 3190890 3056215 4018138 2-1 20: 273 73 147 347 375 363 274 465 275 75 149 211 148 376 348 364 305 221 466 133 0.993 18.32 -4.8 98 97 96 99 465 60.9 2.424 -0.062 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1076 Pregnane?? 18.7985 1845.1 6.9 scans 94% 345 m/z 0.061% 1.45% 1208 2.0 577 477761 14574362 13739935 1-1 20: 345 73 346 255 147 347 334 204 256 191 435 419 133 372 74 257 148 348 75 149 0.999 18.86 -4.6 100 99 99 100 537 44.6 0.602 -0.059 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1074 Adenine 18.8922 1852.3 3.5 scans 12% 264 m/z 6.9% 0.00198% 1217 1.2 30 4204 0.129% 19833 19833 1289402 0-0 2: 264 279 0.849 18.94 -3.6 87 90 73 90 415 3.4 0.000 -0.047 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN TAB_REP6-N1050 Fructose 19.0121 1861.4 11.3 scans 89% 335 m/z 0.015% 7.47% 1228 0.0 1328 1906232 24.7% 74741494 69451328 246885593 2-0 16: 335 310 174 366 319 275 126 289 337 570 236 186 465 200 151 57 0.999 18.98 2.4 100 99 99 99 364 158.1 1.424 0.032 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1072 Fructose 19.0205 1862.1 11.3 scans 99% 291 m/z 0.013% 15.0% 1229 1.2 1416 2120742 24.5% 150201593 150201593 244886519 0-0 20: 291 204 105 203 350 202 188 318 163 334 130 264 177 159 288 233 261 128 90 58 0.997 19.03 -0.9 100 99 99 99 364 163.9 1.345 -0.012 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN TAB_REP6-N1052 Fructose 19.1647 1873.1 >5 scans 88% 73 m/z 0.016% 5.40% 1243 0.5 1310 1778984 32.8% 54031440 54031440 327848074 0-0 20: 73 307 217 308 218 277 309 364 205 133 89 148 191 263 365 129 173 310 59 131 1.000 19.10 4.7 100 99 99 99 364 158.0 1.459 0.061 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN TAB_REP6-N1056 Glucose 19.3836 1889.7 11.9 scans 80% 320 m/z 0.012% 12.7% 1264 1.0 1359 2302658 14.1% 127412748 125382098 140934690 1-0 15: 320 317 364 163 305 277 365 201 376 172 208 165 351 328 154 1.000 19.33 3.9 100 99 98 99 364 96.9 0.511 0.052 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1064 Mannose 19.3962 1890.7 11.7 scans 99% 205 m/z 0.012% 17.5% 1265 0.8 1513 2342302 175910229 175910229 0-0 17: 205 217 161 274 191 262 230 300 83 114 150 173 377 358 235 265 144 0.996 19.45 -4.5 100 99 98 99 319 588.6 15.191 -0.059 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1066 Glucose 19.4456 1894.5 11.9 scans 64% 319 m/z 0.012% 1.65% 1270 1.7 1118 2429818 9.65% 16545748 16545748 96455302 0-0 20: 319 320 321 291 229 307 277 305 364 274 262 231 322 300 306 365 230 374 292 308 0.981 19.40 3.6 95 93 83 97 319 599.5 28.920 0.047 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1062 Glucose 19.6245 1908.6 3.7 scans 98% 319 m/z 0.012% 5.57% 1287 0.3 1480 2348713 55681833 53353128 3-1 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 129 157 74 148 204 189 207 0.997 19.66 -2.5 100 98 99 100 319 589.4 15.934 -0.031 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7371 1917.6 4.0 scans 29% 319 m/z 6.6% 0.00555% 1298 1.7 62 4360 0.0263% 55538 55538 262878 0-0 9: 319 304 205 320 147 305 217 321 307 0.551 19.79 -4.3 87 91 52 88 434 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1056 Ascorbic acid 19.9317 1933.3 2.8 scans 65% 332 m/z 1.9% 0.0210% 1316 0.9 105 15312 0.0284% 209950 205335 283868 0-1 13: 332 333 374 359 334 345 449 149 143 361 289 331 215 0.957 19.99 -4.4 92 91 87 93 449 11.0 1.090 -0.054 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.3000 1962.9 2.7 scans 92% TIC 0.36% 0.105% 1351 1.4 230 81015 1058691 980445 1-3 0.990 20.41 -9.1 94 92 95 96 217 51.0 4.911 -0.114 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1052 Gluconic acid 2 20.5252 1981.0 2.8 scans 82% TIC 0.78% 0.0633% 1372 0.8 179 37196 0.110% 633566 508827 1099490 2-0 0.984 20.60 -5.7 95 95 94 94 613 5.3 0.089 -0.072 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1050 Gluconic acid 20.5778 1985.2 3.3 scans 78% 73 m/z 2.8% 0.0176% 1377 1.0 93 10107 0.101% 176652 166685 1009532 0-2 10: 73 333 292 147 305 319 335 103 293 189 0.978 20.65 -5.7 88 88 84 88 613 3.7 0.161 -0.070 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN WTF2-N1038 C16:0 21.1544 2033.0 2.8 scans 86% 313 m/z 2.7% 0.0186% 1432 1.3 98 10711 186561 178665 0-8 18: 313 117 73 75 132 314 129 145 55 57 328 131 69 315 116 118 74 201 0.985 20.62 44.7 84 88 88 95 328 10.8 1.214 0.537 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.7163 2080.2 6.6 scans 99% 434 m/z 0.014% 10.2% 1485 0.2 1521 2041320 102093966 102079476 1-0 13: 434 507 394 368 369 420 436 612 421 346 381 109 524 0.999 21.75 -2.7 100 99 99 99 507 116.5 0.589 -0.033 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1042 myo-Inositol 21.7279 2081.2 6.1 scans 86% 305 m/z (434) 0.013% 8.85% 1487 0.2 1498 2107952 88557259 87918279 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 320 133 129 433 367 291 192 0.985 21.77 -3.9 94 94 96 98 318 416.7 7.758 -0.046 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8699 2093.1 3.1 scans 95% 319 m/z 0.21% 0.272% 1500 1.1 346 134973 5.77% 2723723 2586920 57673274 4-2 20: 319 73 205 147 320 217 103 321 262 206 117 74 204 133 229 157 89 148 129 263 0.998 21.93 -5.0 97 95 97 99 656 7.7 0.049 -0.060 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2066 2122.2 2.6 scans 64% 396 m/z (262) 0.097% 0.436% 1532 1.2 476 300375 4365669 3996186 1-3 20: 396 73 219 319 397 205 381 147 320 398 191 220 307 217 321 382 74 75 133 249 0.948 22.19 1.7 94 96 89 97 396 210.8 19.600 0.021 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1032 trans-Caffeic acid 22.2066 2122.2 2.6 scans 95% 396 m/z 0.094% 0.629% 1532 1.2 580 307332 6291442 5758973 1-3 20: 396 73 219 319 397 205 381 147 320 398 191 220 307 217 321 382 74 75 133 249 0.998 22.25 -3.8 92 90 87 95 396 210.8 13.238 -0.043 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6706 2162.8 3.5 scans 81% 204 m/z 2.1% 0.0150% 1576 1.1 79 13562 0.0294% 150878 142285 293864 7-0 8: 204 73 205 217 249 361 131 191 0.987 22.71 -3.7 95 94 94 96 518 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN WTF2-N1036 C18:0 23.3956 2227.3 2.8 scans 87% TIC 3.6% 0.0134% 1645 1.6 81 8007 0.0269% 133946 122483 268875 2-0 0.995 22.89 45.5 88 94 88 94 356 11.0 1.831 0.507 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN BRA4_R~2-N1006 Spermidine 23.5103 2237.8 2.8 scans 83% 144 m/z 5.7% 0.0111% 1656 1.0 77 5070 0.0148% 111601 107480 147931 5-4 20: 144 174 73 116 156 160 86 172 170 142 100 145 214 59 157 128 130 175 115 186 0.985 23.51 0.1 97 97 97 99 490 7.0 0.836 0.001 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1028 Glycerolgalactose 24.1237 2293.8 2.7 scans 80% 204 m/z 2.7% 0.0103% 1714 1.4 72 10537 0.0154% 103125 95924 153929 2-3 9: 204 337 205 147 217 103 206 129 338 0.980 24.01 10.3 91 90 89 93 490 0.0 0.000 0.114 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6519 2343.8 3.6 scans 93% 73 m/z 0.80% 0.0949% 1764 0.5 179 36192 949431 927952 2-1 20: 73 331 147 191 421 217 262 307 205 103 319 332 305 422 259 333 74 148 308 192 0.992 24.65 0.2 99 98 98 98 466 10.4 0.341 0.002 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7445 2352.6 2.7 scans 89% 73 m/z 2.3% 0.0217% 1773 1.1 106 12204 0.0252% 217688 205318 251883 0-5 20: 73 217 204 147 292 103 375 219 376 218 451 205 293 363 74 129 233 333 191 131 0.997 24.81 -5.8 92 92 90 92 451 13.4 1.578 -0.060 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5343 2529.1 3.2 scans 82% TIC 2.4% 0.0306% 1943 1.1 111 11731 0.156% 306191 276879 1559277 0-2 0.977 26.57 -4.0 97 97 90 97 512 40.8 13.488 -0.039 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9057 2567.4 6.7 scans 59% TIC 5.5% 0.00345% 1979 1.1 51 5300 0.0190% 34480 34480 189912 0-0 0.932 26.39 52.8 83 92 69 91 459 9.5 3.559 0.512 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1020 Sucrose 27.4118 2620.4 11.3 scans 18% 451 m/z (361) 0.032% 2.54% 2027 1.5 627 888242 2.76% 25437398 25018134 27587216 1-0 8: 451 438 452 453 293 222 441 323 0.836 27.46 -5.2 93 94 52 98 437 284.3 20.660 -0.049 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1018 Sucrose 27.4192 2621.2 11.4 scans 57% 361 m/z (217) 0.0089% 8.26% 2028 1.2 1114 3246969 9.08% 82618593 81348417 90757943 1-0 18: 361 362 363 364 305 365 321 345 201 207 199 304 234 264 421 334 355 184 0.930 27.47 -5.3 81 84 60 82 437 285.2 6.596 -0.051 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1010 Sucrose 27.4244 2621.7 11.4 scans 92% 272 m/z 0.0089% 13.2% 2028 1.1 1417 3246969 14.7% 132402046 130246324 146931911 1-0 18: 272 245 320 157 440 148 332 257 221 193 141 347 259 220 366 373 187 178 1.000 27.58 -16.5 100 98 97 99 437 285.2 4.079 -0.155 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1014 Sucrose 27.4266 2621.9 11.4 scans 91% TIC 0.0090% 13.3% 2028 1.0 1406 3224944 14.7% 133215449 131004702 146931911 1-0 1.000 27.49 -6.8 100 99 99 100 437 283.8 4.105 -0.063 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1008 Sucrose 27.4613 2625.6 11.3 scans 99% 103 m/z 0.0097% 13.2% 2031 0.3 1427 3004171 14.8% 132222021 130579674 147931448 1-0 4: 103 144 235 58 1.000 27.59 -13.9 100 99 98 99 437 266.5 3.510 -0.130 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN LQC1-N1006 Trehalose 28.3851 2725.5 3.0 scans 87% 361 m/z 1.2% 0.0292% 2119 1.1 123 23138 0.155% 291917 289134 1549282 0-2 18: 361 73 362 217 191 363 147 271 243 331 103 129 450 169 218 192 189 117 0.998 28.47 -9.4 94 91 90 96 565 0.0 0.000 -0.083 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN GUA35_L1-N1020 Galactinol 30.7420 2995.7 3.2 scans 76% 204 m/z 6.7% 0.00493% 2343 1.1 47 4299 49359 45538 2-3 6: 204 217 361 205 147 191 0.977 30.55 23.3 82 83 80 83 641 4.0 0.728 0.197 G:\GCMS data\Nicotiana Panel polar\N528_REP1.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6795 3107.1 5.5 scans 79% TIC 2.4% 0.0299% 2432 2.2 85 11774 4.11% 299550 269082 41080963 0-5 0.982 31.68 0.5 93 93 89 93 597 15.1 3.117 0.005 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN EXBLK5S-N1006 Contamination 6.5921 1061.4 2.7 scans 80% TIC 0.70% 0.0398% 48 2.0 134 40656 0.127% 390079 324278 1243074 2-3 0.979 6.63 -1.9 99 99 96 99 295 41.7 9.603 -0.033 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.7678 1071.8 >4 scans 36% 147 m/z 7.3% 0.00647% 65 0.7 47 3882 0.0150% 63403 46513 146820 0-7 3: 147 117 148 0.951 6.82 -3.1 90 89 83 96 295 3.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN A-KETO~2-N1006 Contamination?? 7.8852 1138.0 2.5 scans 89% 156 m/z 0.72% 0.0356% 171 1.1 141 39367 0.0486% 348763 312800 475696 2-1 17: 156 75 55 73 157 54 61 74 76 158 59 82 60 72 56 53 84 0.996 7.96 -4.2 100 99 99 99 156 76.6 29.636 -0.072 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1192 Contamination 7.9652 1142.7 2.6 scans 86% 147 m/z 1.5% 0.0259% 179 1.1 120 18569 0.0409% 253824 251507 400328 1-0 20: 147 73 133 220 235 59 146 148 86 72 100 152 160 103 74 89 149 134 131 70 0.993 7.99 -1.5 100 99 98 99 235 22.4 3.509 -0.024 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1188 Contamination 8.3734 1166.9 4.1 scans 76% 281 m/z 0.98% 0.0512% 217 1.5 126 29105 502022 406414 6-11 19: 281 147 369 282 283 370 265 249 371 207 148 191 193 251 284 372 266 267 189 0.897 8.41 -2.5 99 98 97 100 369 39.1 9.671 -0.042 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1190 Contamination 8.4260 1170.1 2.7 scans 71% 73 m/z 2.4% 0.0142% 222 1.5 84 11421 0.0275% 139659 138937 269170 0-1 19: 73 140 211 198 77 70 69 126 186 74 113 117 255 72 170 215 199 92 142 0.984 8.48 -3.4 90 88 87 94 309 8.0 0.907 -0.058 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1186 Phosphate 8.5260 1176.0 2.4 scans 84% 241 m/z 1.1% 0.0165% 232 1.1 99 25261 161624 161566 0-1 16: 241 242 211 133 163 195 243 256 135 59 98 134 181 119 137 212 0.988 8.56 -2.0 98 97 94 99 299 0.0 0.000 -0.035 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1184 Valine 9.1531 1213.0 3.4 scans 66% TIC 5.1% 0.00299% 291 0.9 44 5568 0.0286% 29275 28595 279936 3-0 0.968 9.19 -2.0 89 87 83 93 218 13.8 9.799 -0.035 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1180 Benzoic acid 9.7213 1246.2 3.0 scans 68% 179 m/z 3.3% 0.0120% 345 1.5 69 8558 117458 101356 1-10 9: 179 105 135 77 180 136 194 106 181 0.936 9.76 -2.3 94 93 89 97 194 9.5 1.904 -0.038 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1178 Ethanolamine 9.9907 1262.0 3.3 scans 89% 174 m/z 0.61% 0.0470% 371 1.1 136 46761 0.165% 460388 403545 1615017 4-0 20: 174 73 175 100 86 147 176 59 133 130 74 114 262 148 131 172 116 101 87 134 0.989 10.03 -2.5 99 98 97 98 262 14.5 1.128 -0.043 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN VEN77_S6-N1002 Glycerol 10.0643 1266.3 2.8 scans 92% TIC 0.043% 0.545% 378 1.2 507 650057 0.578% 5337604 4934963 5657454 2-2 0.975 10.09 -1.7 100 100 99 100 299 311.1 37.855 -0.030 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LACTIC~1-N1034 Glycerol 10.0875 1267.7 3.3 scans 32% 205 m/z (299) 0.77% 0.0660% 380 0.9 160 36602 0.0758% 646344 604413 741929 0-4 10: 205 117 218 206 204 175 129 219 217 293 0.897 10.11 -1.3 93 97 88 97 293 11.0 0.475 -0.023 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2285 1275.9 2.6 scans 92% 73 m/z 0.58% 0.0421% 394 1.1 147 48679 412766 380540 1-3 20: 73 198 77 211 199 70 74 239 381 212 72 289 92 75 143 170 63 56 100 142 0.995 10.24 -0.7 99 99 98 99 381 16.6 1.270 -0.012 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1176 Isoleucine 10.4178 1287.0 >4 scans 65% TIC 5.9% 0.00352% 412 1.8 42 4812 0.0135% 34514 32371 132138 1-0 0.953 10.46 -2.4 93 94 84 93 260 0.0 0.000 -0.041 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1174 Proline 10.5031 1292.0 2.8 scans 56% 142 m/z 3.2% 0.00404% 420 1.3 45 8680 0.0107% 39590 39590 104731 0-0 4: 142 143 216 265 0.986 10.55 -2.4 84 87 82 87 142 35.9 62.982 -0.042 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5904 1297.1 2.6 scans 98% 147 m/z 0.066% 0.340% 428 0.9 424 431987 3331504 3239949 1-3 20: 147 73 245 148 75 149 83 133 74 246 115 143 59 170 126 84 58 247 66 72 0.998 10.60 -0.7 99 98 98 99 245 98.9 5.457 -0.012 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1170 Glycine 10.6451 1300.3 3.0 scans 34% 174 m/z 4.3% 0.00337% 433 1.0 42 6552 0.0207% 33066 33066 202611 0-0 6: 174 248 175 276 86 176 0.993 10.69 -2.5 83 84 61 84 276 9.2 4.783 -0.042 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7356 1305.8 3.0 scans 95% TIC 0.029% 0.926% 442 1.0 630 977157 9064947 8832819 1-1 0.976 10.76 -1.3 99 97 97 99 251 148.8 5.604 -0.022 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1168 Glyceric acid 11.0092 1322.2 2.4 scans 97% 73 m/z 0.15% 0.240% 468 1.0 369 181495 2354705 2238394 1-4 20: 73 147 292 189 133 103 205 293 102 117 190 148 307 75 294 74 149 59 191 101 0.999 11.05 -2.7 100 100 99 100 292 112.5 9.299 -0.045 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0681 1325.8 >4 scans 81% TIC 2.6% 0.0214% 473 0.8 98 10920 0.241% 209808 196047 2358904 0-1 0.988 11.06 0.3 98 97 94 99 285 29.1 8.755 0.005 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1018 Uracil 11.1281 1329.4 2.8 scans 61% 241 m/z 8.0% 0.00406% 479 1.6 44 3537 0.00411% 39739 39307 40229 0-2 7: 241 99 256 255 242 183 113 0.965 11.15 -1.2 96 96 95 99 256 14.8 11.341 -0.020 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1164 Itaconic acid 11.2059 1334.1 2.6 scans 85% TIC 1.7% 0.0157% 487 0.8 87 16646 0.0192% 154452 133552 187929 1-2 0.988 11.25 -2.8 95 94 94 95 259 17.2 3.900 -0.046 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1162 Fumaric acid 11.3564 1343.1 2.5 scans 95% 245 m/z 0.10% 0.241% 501 0.9 362 279133 2363152 2142566 2-2 20: 245 147 73 246 75 143 247 83 148 133 149 115 155 74 53 84 157 61 59 127 1.000 11.39 -2.2 100 99 99 99 245 203.9 31.701 -0.037 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1160 Serine 11.4974 1351.6 2.8 scans 90% TIC 0.97% 0.0421% 514 1.2 141 29210 0.299% 412164 397361 2926607 0-1 0.996 11.56 -3.6 98 97 96 98 306 14.1 1.005 -0.060 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN BRA4_R~2-N1008 Thymine 11.5889 1357.1 2.8 scans 40% 255 m/z 19% 0.00109% 523 1.4 23 1438 10712 10712 0-0 2: 255 156 0.731 11.58 0.3 84 87 66 90 270 7.7 11.068 0.005 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1154 Threonine 11.9099 1376.5 3.4 scans 77% TIC 3.9% 0.0129% 553 1.4 67 7143 0.0152% 126851 98408 148777 6-4 0.933 11.96 -3.0 94 94 89 95 320 6.7 1.013 -0.050 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2735 1461.2 2.7 scans 55% 247 m/z 9.7% 0.00436% 683 1.2 48 2931 42689 42689 0-0 4: 247 259 115 248 0.957 13.31 -2.1 88 89 81 89 349 6.8 2.001 -0.032 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1146 Malic acid 13.5871 1481.0 4.9 scans 98% 73 m/z 0.013% 5.29% 713 0.3 1250 2193728 51830774 51820601 1-0 20: 73 147 233 245 189 133 190 75 148 335 191 175 74 55 101 234 149 307 217 265 1.000 13.62 -1.8 100 100 100 100 350 32.5 0.068 -0.030 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1028 Aspartic acid 14.0227 1508.9 2.6 scans 24% 232 m/z 2.1% 0.00828% 754 1.3 66 13022 81097 80752 0-1 8: 232 233 218 234 188 202 221 216 0.917 14.02 0.4 83 82 77 90 258 4.5 0.000 0.006 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0448 1510.3 3.1 scans 92% 156 m/z 0.23% 0.116% 756 0.8 225 123285 1141092 1121274 0-1 20: 156 73 157 147 230 258 158 75 74 231 72 259 140 59 148 121 58 133 112 86 0.989 14.11 -4.4 99 97 97 99 273 9.2 0.167 -0.065 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0458 1510.4 3.3 scans 91% TIC 0.23% 0.124% 756 0.8 224 119616 1214337 1159635 1-1 0.990 14.03 1.1 99 98 99 99 258 45.0 4.052 0.016 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1134 GABA 14.1889 1519.9 3.2 scans 81% TIC 1.6% 0.0199% 770 1.1 103 17822 0.0653% 194793 187672 639155 2-0 0.989 14.24 -3.5 95 93 93 97 304 29.8 8.372 -0.053 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3636 1531.5 4.5 scans 81% TIC 3.1% 0.0153% 787 1.2 74 9176 0.128% 150362 144135 1252862 0-2 0.977 14.62 -17.1 88 87 85 88 409 0.0 0.000 -0.257 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6119 1547.9 2.7 scans 92% 73 m/z 0.64% 0.0588% 810 1.2 173 44312 576041 565212 1-1 20: 73 292 147 220 205 293 117 217 103 294 221 148 74 319 133 206 149 102 291 409 0.990 14.69 -5.3 99 98 97 98 409 12.8 0.543 -0.080 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN A-KETO~2-N1004 a-Ketoglutaric acid 1MEOX 2TMS STD 14.8329 1562.6 2.6 scans 79% 198 m/z 1.6% 0.0169% 831 1.2 95 17276 165615 165615 0-0 11: 198 288 156 304 55 89 186 202 170 112 229 0.843 14.90 -4.4 87 87 88 92 304 13.5 2.032 -0.067 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3853 1599.2 2.8 scans 75% 217 m/z 1.0% 0.0177% 884 1.2 107 28488 0.0314% 173637 173637 307343 0-0 14: 217 73 218 147 219 215 230 103 189 133 74 333 259 220 0.967 15.44 -3.8 96 96 94 96 393 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1036 Glutamic acic 15.5031 1607.4 2.7 scans 72% TIC 3.9% 0.00628% 895 0.7 59 7181 0.0391% 61468 61468 382710 0-0 0.975 15.50 -0.0 95 95 91 99 363 7.2 1.447 0.000 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1118 Phenylalanine 15.6062 1614.5 2.9 scans 47% 218 m/z 6.1% 0.00595% 905 1.1 53 4609 0.00797% 58257 58257 78010 0-0 7: 218 192 204 205 100 219 266 0.763 15.66 -3.7 87 91 65 90 294 2.9 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1038 Xylose 15.8945 1634.6 6.0 scans 84% TIC 1.8% 0.0227% 932 1.2 102 15267 0.0367% 222935 222935 359219 0-0 0.988 15.89 0.4 90 87 86 97 307 27.8 7.385 0.005 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1040 Xylose 16.0103 1642.6 2.8 scans 94% 73 m/z 0.44% 0.0921% 943 1.2 217 64696 902247 875128 1-1 20: 73 103 217 307 147 308 218 189 160 277 309 74 133 205 204 89 104 117 191 234 0.998 16.00 0.5 95 92 95 99 307 61.4 7.983 0.006 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.2302 1657.9 2.9 scans 47% 290 m/z 3.7% 0.00400% 964 1.9 42 7623 0.00419% 39151 38913 41012 0-2 4: 290 291 158 292 0.992 16.28 -3.2 89 91 57 93 392 7.8 3.433 -0.046 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1108 Ribose 16.3228 1664.3 2.9 scans 37% 103 m/z 3.4% 0.0113% 973 0.8 73 8279 111492 106589 1-1 9: 103 307 308 309 189 160 277 104 105 0.488 16.38 -3.6 85 89 43 87 467 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6184 1684.8 3.3 scans 78% TIC 3.6% 0.0131% 1001 1.4 82 7872 0.0310% 128900 128900 303427 0-0 0.988 16.68 -4.0 96 95 90 96 497 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9415 1707.6 >5 scans 63% TIC 3.8% 0.0105% 1032 1.0 72 7491 0.148% 102924 102924 1448621 0-0 0.967 16.99 -3.5 92 92 87 92 422 0.0 0.000 -0.048 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0036 1712.2 3.9 scans 75% 73 m/z 1.4% 0.0377% 1038 1.5 123 20268 0.135% 369980 369980 1321378 0-0 15: 73 217 205 147 307 319 103 218 189 320 308 148 243 317 309 0.923 17.06 -4.3 93 93 88 94 510 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1096 Putrescine 17.1919 1725.9 2.9 scans 35% 174 m/z 4.4% 0.00359% 1055 1.2 41 6365 35158 34294 0-1 4: 174 175 214 176 0.975 17.25 -4.1 91 93 88 93 458 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1094 cis-Aconitic acid 17.3129 1734.7 3.2 scans 73% 73 m/z 2.8% 0.0136% 1067 1.4 78 10026 133790 120243 1-1 13: 73 229 147 375 133 89 285 247 215 117 149 116 67 0.954 17.36 -3.6 86 84 85 92 436 4.9 0.391 -0.049 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5749 1753.9 3.0 scans 94% TIC 0.12% 0.254% 1092 1.2 337 231630 1.27% 2486468 2357096 12430738 1-2 0.996 17.63 -4.1 97 95 96 97 450 41.0 1.481 -0.057 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7180 1764.3 5.0 scans 85% TIC 0.11% 0.707% 1105 0.6 457 243736 0.763% 6920114 6708880 7468231 1-2 0.952 17.70 1.4 98 98 95 99 375 52.1 1.299 0.019 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1086 Fructofuranose 18.0894 1791.4 >6 scans 74% TIC 0.82% 0.0858% 1141 0.6 152 34770 0.703% 840205 820612 6880952 1-0 0.957 18.13 -3.2 81 77 78 89 437 28.1 3.413 -0.045 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1046 Shikimic acid 18.1399 1795.1 3.5 scans 65% 204 m/z (217) 0.61% 0.0954% 1146 1.0 192 46660 0.135% 934420 895825 1321378 4-2 16: 204 357 255 254 372 462 282 331 358 283 373 447 239 181 463 265 0.911 18.13 1.1 90 90 89 98 372 19.0 0.988 0.015 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1084 Shikimic acid 18.1399 1795.1 3.5 scans 26% 204 m/z 0.60% 0.0375% 1146 1.0 121 47018 0.0532% 367374 352201 520721 4-2 16: 204 357 255 254 372 462 282 331 358 283 373 447 239 181 463 265 0.471 18.20 -4.1 90 94 80 96 462 13.5 1.227 -0.057 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1082 Citric acid 18.2599 1804.0 2.8 scans 94% 273 m/z 0.099% 0.552% 1157 0.9 528 285635 0.644% 5410663 5176755 6303461 2-2 20: 273 73 147 363 347 375 274 465 275 149 75 211 148 305 376 364 348 221 257 74 0.997 18.32 -4.7 99 97 97 99 465 82.7 2.459 -0.061 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1076 Pregnane?? 18.7986 1845.1 6.1 scans 97% TIC 0.040% 1.95% 1208 1.7 701 710752 19116952 19051280 0-1 1.000 18.86 -4.6 100 99 99 100 537 54.0 0.597 -0.059 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1074 Adenine 18.8923 1852.3 3.6 scans 17% 264 m/z 5.2% 0.00302% 1217 1.2 35 5449 0.129% 29593 29593 1262650 0-0 2: 264 279 1.000 18.94 -3.6 88 89 74 89 415 0.0 0.000 -0.047 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1050 Fructose 19.0185 1861.9 10.6 scans 98% 73 m/z 0.013% 9.60% 1229 0.5 1404 2085379 23.1% 93989981 93989981 226102401 0-0 20: 73 307 217 103 147 308 277 218 309 364 189 205 74 117 104 219 148 89 191 75 1.000 18.98 2.9 100 99 99 99 364 164.1 1.373 0.038 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1072 Fructose 19.0574 1864.9 >4 scans 92% 73 m/z (72) 0.015% 5.09% 1233 0.6 1346 1792364 23.7% 49896480 49896480 231975191 0-0 20: 73 217 103 147 308 277 218 309 133 364 189 117 219 74 104 89 148 191 75 278 0.999 19.03 1.9 97 98 98 99 364 159.9 1.416 0.024 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1070 Fructose 19.1490 1871.9 >4 scans 55% 365 m/z (189) 0.028% 2.67% 1241 0.5 980 986245 26.0% 26187682 26187682 254487551 0-0 20: 365 149 105 59 310 131 220 376 116 143 332 280 100 157 448 134 159 55 337 130 0.935 19.19 -3.4 83 87 80 86 554 44.1 0.000 -0.045 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1052 Fructose 19.1700 1873.5 8.0 scans 99% 201 m/z 0.016% 9.31% 1243 0.6 1336 1770811 35.4% 91180141 89712518 346494589 0-6 16: 201 310 390 230 101 376 261 557 247 177 193 434 301 140 171 329 0.996 19.10 5.1 100 99 99 99 364 162.6 1.485 0.066 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1066 Glucose 19.2363 1878.5 >3 scans 26% 319 m/z 1.0% 0.0131% 1250 1.1 134 26039 8.29% 128275 128275 81142377 0-0 9: 319 160 73 205 320 321 147 229 322 0.957 19.40 -12.4 86 86 64 89 319 62.3 21.650 -0.163 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1056 Glucose 19.3784 1889.3 11.4 scans 62% 319 m/z (205) 0.012% 9.81% 1263 1.0 1182 2336436 10.9% 96097296 93216302 106689012 1-0 20: 319 320 321 277 143 292 210 186 135 158 263 309 308 323 88 106 208 246 332 112 0.967 19.33 3.5 81 83 71 82 364 96.6 0.670 0.046 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1064 Mannose 19.3878 1890.1 11.2 scans 98% 205 m/z 0.012% 16.8% 1264 0.1 1498 2336436 165274205 163312131 1-1 18: 205 204 189 207 231 131 114 269 275 173 240 165 150 268 202 243 174 242 0.996 19.45 -5.1 100 99 98 100 319 589.8 15.553 -0.067 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN BRA4_R~2-N1004 Galactose 19.4341 1893.6 11.1 scans 72% 73 m/z (320) 0.010% 2.47% 1269 2.1 1308 2707412 12.3% 24231219 24231219 120392188 0-0 20: 73 319 205 147 160 217 103 117 206 133 157 129 229 189 74 148 89 75 161 207 0.884 19.36 5.5 82 94 77 86 364 59.2 0.000 0.073 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1059 Glucose 19.6162 1907.9 3.8 scans 97% TIC 0.013% 5.56% 1286 0.4 1427 2124822 54425996 54214231 1-0 0.997 19.55 5.2 100 99 98 99 376 60.6 0.181 0.064 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7361 1917.5 4.3 scans 37% 319 m/z 2.7% 0.00859% 1298 1.5 75 10407 0.0439% 84142 82330 429692 1-0 7: 319 304 205 147 217 320 206 0.688 19.79 -4.4 88 92 66 88 434 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1056 Ascorbic acid 19.9308 1933.2 3.0 scans 70% 73 m/z 1.7% 0.0270% 1316 1.0 117 16144 0.0418% 265224 217831 409138 1-3 20: 73 332 147 333 205 117 143 449 374 272 189 359 259 312 133 149 206 330 148 74 0.985 19.99 -4.5 80 78 78 85 449 10.6 0.816 -0.055 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.2990 1962.8 2.7 scans 90% TIC 0.33% 0.112% 1351 1.5 234 84279 1105021 1002614 1-2 0.984 20.41 -9.2 94 92 95 96 217 52.7 5.084 -0.115 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1052 Gluconic acid 2 20.5231 1980.8 2.8 scans 79% 73 m/z 0.80% 0.0623% 1372 0.7 181 35523 0.104% 609948 523801 1017950 2-0 20: 73 292 319 147 205 217 305 333 293 103 320 294 435 433 277 359 189 334 306 321 0.976 20.60 -5.9 94 94 93 94 613 5.6 0.094 -0.074 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1050 Gluconic acid 20.5758 1985.0 >4 scans 71% TIC 3.0% 0.0160% 1377 1.1 89 9231 0.111% 156708 145118 1086466 0-2 0.966 20.65 -5.9 89 89 83 89 613 0.0 0.000 -0.072 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN WTF2-N1038 C16:0 21.1534 2032.9 2.8 scans 83% 313 m/z 2.5% 0.0210% 1432 1.2 100 11099 206020 179696 1-8 18: 313 117 73 132 75 314 129 145 55 57 131 69 328 315 118 201 83 269 0.984 20.62 44.6 85 90 90 95 328 11.2 1.249 0.536 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN INOSIT~1-N1022 myo-Inositol 21.7153 2080.1 6.7 scans 10% 433 m/z (73) 0.13% 1.10% 1485 0.2 486 215474 10843073 10095236 1-1 20: 433 434 308 508 435 395 379 268 294 436 370 418 159 85 83 173 263 371 187 195 0.376 21.74 -2.2 86 93 74 96 507 117.4 5.843 -0.026 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.7216 2080.6 6.3 scans 99% 73 m/z 0.013% 10.2% 1486 0.2 1571 2174421 100359864 100321698 1-0 20: 73 147 191 307 218 432 133 129 148 192 219 74 205 103 149 193 131 75 267 321 1.000 21.75 -2.3 100 99 99 99 507 117.1 0.557 -0.027 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1042 myo-Inositol 21.7279 2081.2 6.3 scans 85% 305 m/z (434) 0.013% 8.64% 1487 0.2 1430 2120386 84644030 84608451 1-0 20: 305 217 318 306 319 265 204 320 367 433 291 393 221 293 292 343 419 189 207 230 0.983 21.77 -3.9 94 94 95 98 318 417.9 8.566 -0.046 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8700 2093.1 3.1 scans 95% 319 m/z 0.16% 0.338% 1500 1.2 390 173784 3316954 3239279 1-1 20: 319 73 205 147 320 217 103 321 262 206 117 204 74 229 133 148 89 157 129 75 0.999 21.93 -5.0 96 94 96 99 656 8.8 0.050 -0.060 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2056 2122.1 2.5 scans 89% 396 m/z 0.094% 0.441% 1532 0.9 492 302379 4319552 3933762 1-3 20: 396 219 73 397 381 398 191 220 307 382 249 293 75 74 221 399 308 383 233 133 0.955 22.19 1.6 98 97 93 99 396 212.2 18.635 0.020 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6696 2162.7 3.6 scans 84% 204 m/z 1.6% 0.0215% 1576 1.3 92 17590 0.0416% 210792 195831 407180 1-0 11: 204 73 205 147 206 361 117 145 131 191 218 0.985 22.71 -3.8 97 97 95 98 518 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN WTF2-N1036 C18:0 23.3967 2227.4 3.0 scans 83% 341 m/z 3.7% 0.0148% 1645 1.7 80 7575 0.0174% 145518 134731 170311 1-3 12: 341 117 132 129 75 342 145 55 356 57 69 118 0.996 22.89 45.6 87 94 88 94 356 10.9 1.842 0.508 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN BRA4_R~2-N1006 Spermidine 23.5103 2237.8 2.7 scans 76% 144 m/z 5.7% 0.0108% 1656 1.0 76 5001 105904 105904 1-0 17: 144 174 116 156 160 172 170 86 201 175 142 145 100 157 130 154 146 0.979 23.51 0.1 96 96 96 99 490 7.2 0.886 0.001 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1227 2293.8 2.7 scans 80% 204 m/z 2.6% 0.0114% 1714 1.2 75 10940 0.0190% 112476 95731 185972 2-2 10: 204 337 205 147 103 217 206 129 338 361 0.986 24.01 10.3 92 93 90 92 490 0.0 0.000 0.113 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6520 2343.8 3.5 scans 92% 73 m/z 0.69% 0.0943% 1764 1.1 198 41040 0.115% 923980 890878 1125618 0-1 20: 73 147 331 217 191 262 421 103 205 307 332 422 319 259 333 305 376 218 320 74 0.999 24.65 0.2 99 98 98 99 466 12.0 0.368 0.002 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7435 2352.5 2.6 scans 90% 73 m/z 1.5% 0.0354% 1773 1.1 137 18159 0.116% 346604 320165 1135406 1-3 20: 73 217 204 147 292 375 103 305 219 218 205 129 293 333 376 275 74 143 306 148 0.996 24.81 -5.9 95 94 93 94 451 16.1 1.382 -0.061 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5333 2529.0 3.2 scans 80% TIC 2.0% 0.0361% 1943 1.3 122 14086 0.228% 353625 325467 2231660 0-2 0.972 26.57 -4.1 97 97 88 97 512 45.7 14.071 -0.040 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9058 2567.4 3.9 scans 58% TIC 3.9% 0.00386% 1979 1.5 60 7204 0.0254% 37804 37804 248615 0-0 0.958 26.39 52.8 84 92 76 92 459 10.1 2.881 0.512 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1020 Sucrose 27.4077 2619.9 10.4 scans 25% 437 m/z (361) 0.022% 3.23% 2026 1.6 722 1268155 3.53% 31624846 30807320 34551579 1-0 14: 437 451 438 439 452 440 333 347 449 173 463 265 421 468 0.839 27.46 -5.7 90 89 38 98 437 279.0 14.998 -0.053 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1016 Sucrose 27.4266 2621.9 10.3 scans 50% 217 m/z (361) 0.019% 7.51% 2028 0.1 1041 1492974 73512113 73074229 1-0 20: 217 271 218 219 244 192 291 221 241 259 306 423 130 141 246 83 260 119 208 249 0.962 27.48 -5.4 89 91 95 94 437 16.8 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1010 Sucrose 27.4266 2621.9 10.3 scans 100% 217 m/z 0.0088% 14.7% 2028 0.1 1467 3223555 144647019 143785411 1-0 20: 217 271 218 219 244 192 291 221 241 259 306 423 130 141 246 83 260 119 208 249 0.999 27.58 -16.3 100 99 98 99 437 283.6 3.763 -0.152 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1014 Sucrose 27.4329 2622.6 10.3 scans 91% 191 m/z 0.0088% 11.9% 2029 0.6 1399 3214887 13.3% 117441205 114415111 130180170 1-0 20: 191 364 189 230 205 331 229 204 231 257 206 220 247 171 307 193 207 393 424 248 1.000 27.49 -6.1 100 99 99 99 437 282.7 4.118 -0.057 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1008 Sucrose 27.4634 2625.9 9.8 scans 100% 73 m/z 0.0089% 12.7% 2032 0.2 1464 3179397 124332839 123216070 1-0 20: 73 147 103 169 129 74 75 117 133 148 131 157 104 143 170 155 59 130 69 55 0.999 27.59 -13.6 100 99 97 99 437 264.1 3.279 -0.128 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN TAB_REP6-N1070 Sucrose 27.4729 2626.9 >2 scans 59% 361 m/z (229) 0.0089% 1.53% 2033 1.7 1070 3179397 8.29% 14990417 14990417 81142377 0-0 20: 361 362 363 437 271 319 451 438 243 331 364 439 320 272 452 204 305 257 245 345 0.996 27.41 6.8 86 85 74 93 451 0.0 0.000 0.063 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1018 Sucrose 27.4729 2626.9 >2 scans 78% 361 m/z 0.0090% 2.01% 2033 1.7 1231 3169817 10.9% 19746372 19746372 106689012 0-0 20: 361 362 363 437 271 319 451 438 243 331 364 439 320 272 452 204 305 257 245 345 0.961 27.47 0.4 100 99 89 99 437 264.1 4.649 0.003 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN LQC1-N1006 Trehalose 28.3831 2725.3 3.1 scans 83% 361 m/z 1.1% 0.0304% 2119 1.1 127 24529 0.260% 298121 297406 2544876 0-1 18: 361 362 73 363 191 217 147 271 129 243 169 364 218 331 148 189 192 229 0.999 28.47 -9.6 93 91 90 96 565 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN GUA35_L1-N1020 Galactinol 30.7410 2995.6 2.8 scans 76% 204 m/z 4.7% 0.00634% 2343 1.1 58 6006 62071 57809 1-2 8: 204 217 73 205 191 147 305 361 0.964 30.55 23.2 87 88 85 88 641 5.9 1.043 0.196 G:\GCMS data\Nicotiana Panel polar\N528_REP2.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6796 3107.1 5.7 scans 79% TIC 1.9% 0.0398% 2432 2.0 96 14627 4.90% 389575 340793 47961115 0-6 0.991 31.68 0.5 92 91 90 94 597 17.7 3.410 0.005 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN EXBLK5S-N1006 Contamination 6.4540 1053.2 20.3 scans 47% 207 m/z 4.9% 0.0674% 35 2.4 46 5549 0.0907% 227967 199311 306719 0-1 1: 207 0.920 6.63 -10.1 91 92 78 91 295 16.0 12.319 -0.171 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1194 Alanine 7.2074 1097.8 >10 scans 46% TIC 7.8% 0.0151% 107 3.0 36 3468 51250 43218 1-1 0.902 7.40 -11.7 88 90 82 89 283 0.0 0.000 -0.197 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1192 Contamination 7.7945 1132.6 14.7 scans 38% TIC 18% 0.00379% 162 1.5 29 1476 0.0203% 12849 11647 68648 1-0 0.882 7.99 -11.6 81 84 67 84 235 6.7 5.457 -0.194 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1188 Contamination 8.2870 1161.8 8.2 scans 79% 281 m/z 4.5% 0.0698% 209 4.0 62 6018 0.0705% 236145 232482 238409 0-5 6: 281 282 369 283 370 147 0.977 8.41 -7.6 97 96 79 98 369 18.3 8.740 -0.128 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1186 Phosphate 8.4311 1170.4 4.1 scans 75% 241 m/z 2.2% 0.0443% 223 2.5 71 12381 0.0453% 150105 147597 153191 0-2 10: 241 242 211 256 243 163 195 133 135 89 0.972 8.56 -7.6 97 97 90 97 299 0.0 0.000 -0.130 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1178 Ethanolamine 9.9336 1258.7 5.8 scans 79% 174 m/z 2.6% 0.0389% 366 1.9 63 10181 0.143% 131628 121699 483582 7-0 7: 174 175 100 176 86 133 59 0.975 10.03 -5.8 96 96 91 96 262 7.3 1.337 -0.100 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN VEN77_S6-N1002 Glycerol 10.0178 1263.6 3.6 scans 94% TIC 0.061% 1.58% 374 1.8 446 443859 5361091 4840506 7-5 0.976 10.09 -4.4 100 99 98 100 299 271.0 37.011 -0.076 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1174 Proline 10.4450 1288.6 7.8 scans 55% TIC 1.8% 0.0200% 414 1.2 68 14505 0.354% 67717 67717 1197118 0-0 0.974 10.55 -5.8 95 96 90 95 142 49.0 52.014 -0.100 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN TAB_REP6-N1014 Maleic acid 10.5324 1293.7 4.1 scans 94% 147 m/z 0.22% 0.471% 423 1.8 242 123855 1.20% 1594885 1522497 4058027 3-2 20: 147 73 245 148 75 83 149 74 246 115 133 170 59 84 126 58 155 53 66 247 0.997 10.60 -4.1 100 98 99 99 245 56.7 5.487 -0.070 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.6733 1302.0 4.2 scans 94% TIC 0.13% 0.870% 436 2.2 311 210030 1.41% 2942415 2784769 4768182 1-5 0.976 10.76 -5.1 98 96 97 100 251 69.7 5.021 -0.085 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1168 Glyceric acid 10.9732 1320.1 4.0 scans 97% 73 m/z 0.23% 0.734% 464 1.9 307 118586 2485483 2397977 1-1 20: 73 147 189 292 133 103 205 293 117 190 102 148 74 307 75 59 294 149 101 191 0.999 11.05 -4.8 100 99 99 100 292 90.5 8.685 -0.081 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN TAB_REP6-N1018 Uracil 11.0984 1327.6 4.9 scans 57% 241 m/z 15% 0.00874% 476 1.7 30 1761 29563 29563 0-0 3: 241 99 255 1.000 11.15 -3.0 92 94 89 94 256 11.0 13.378 -0.050 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1162 Fumaric acid 11.3236 1341.2 3.6 scans 97% TIC 0.14% 0.768% 498 1.5 318 189109 1.02% 2597763 2402483 3449323 1-5 0.998 11.39 -4.1 100 99 99 100 245 176.9 31.013 -0.069 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1160 Serine 11.4730 1350.2 3.5 scans 94% 204 m/z 0.55% 0.250% 512 1.6 193 48988 0.520% 846503 815140 1758478 1-1 20: 204 73 218 205 100 147 219 278 188 206 306 74 133 132 116 220 75 59 216 189 0.999 11.56 -5.0 99 98 98 99 306 20.3 1.096 -0.084 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.6877 1363.1 5.2 scans 75% TIC 6.6% 0.0261% 532 2.4 53 4124 88280 84504 2-0 0.982 11.79 -5.8 88 88 86 92 262 6.4 1.440 -0.097 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1154 Threonine 11.8876 1375.1 3.4 scans 76% 218 m/z 4.5% 0.0294% 551 1.4 67 5952 99520 99520 1-0 9: 218 219 291 117 292 220 100 203 128 0.947 11.96 -4.4 95 95 87 95 320 6.0 0.812 -0.072 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1146 Malic acid 13.5637 1479.5 3.7 scans 98% 73 m/z 0.013% 11.1% 711 0.3 1263 1991124 37845467 37596134 1-0 20: 73 147 233 245 189 133 190 148 191 335 175 75 149 234 101 74 217 55 265 307 1.000 13.62 -3.3 100 100 100 100 350 34.3 0.074 -0.053 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0088 1507.9 2.7 scans 11% 232 m/z (156) 3.0% 0.0187% 753 1.2 60 9084 63296 61542 0-1 8: 232 233 100 218 202 234 216 188 0.668 14.02 -0.6 91 94 86 95 258 5.5 0.000 -0.008 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0256 1509.1 3.5 scans 93% TIC 0.28% 0.301% 755 1.0 214 96220 1019284 978792 1-1 0.994 14.03 -0.2 99 98 98 100 258 41.5 3.751 -0.004 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1134 GABA 14.1772 1519.1 2.6 scans 54% 174 m/z 8.4% 0.00853% 769 1.0 42 3236 28854 27308 1-1 3: 174 304 175 0.889 14.24 -4.3 86 86 77 90 304 14.7 12.481 -0.065 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3245 1528.9 >3 scans 70% TIC 5.7% 0.0104% 783 0.9 53 4725 0.0742% 35283 35283 250921 0-0 0.974 14.37 -3.3 93 93 82 93 342 21.5 16.403 -0.050 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3560 1531.0 3.4 scans 89% TIC 3.1% 0.0339% 786 1.2 78 8746 0.0948% 114761 110113 320584 0-3 0.993 14.62 -17.6 94 94 89 94 409 5.4 0.485 -0.265 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6075 1547.6 2.6 scans 93% 73 m/z 1.0% 0.0949% 810 1.1 140 26512 321032 308344 1-2 20: 73 292 147 220 205 293 217 117 103 294 148 221 133 74 319 102 149 130 75 131 0.999 14.69 -5.6 99 98 96 98 409 10.8 0.599 -0.084 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3798 1598.9 2.6 scans 85% 217 m/z 1.3% 0.0378% 883 1.2 95 20316 0.0671% 128129 128129 226911 0-0 11: 217 73 218 219 147 215 189 129 103 230 133 0.997 15.44 -4.1 94 92 91 95 393 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN TAB_REP6-N1036 Glutamic acic 15.4998 1607.1 2.5 scans 69% 246 m/z 7.9% 0.00841% 895 1.0 42 3442 28449 28449 1-0 4: 246 128 247 348 0.966 15.50 -0.3 94 94 92 95 363 0.0 0.000 -0.003 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN TAB_REP6-N1040 Xylose 16.0048 1642.2 2.6 scans 88% 73 m/z 2.1% 0.0419% 943 0.9 95 12565 0.0783% 141737 141094 264786 1-0 19: 73 103 217 307 147 308 160 189 218 277 74 309 133 104 117 191 205 89 105 0.982 16.00 0.1 94 94 91 94 307 26.8 8.017 0.001 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN TAB_REP6-N1042 Ribose 16.1027 1649.0 2.9 scans 83% TIC 2.6% 0.0383% 952 0.6 83 10144 0.0894% 129664 123117 302323 1-1 0.990 16.10 0.0 95 95 93 96 307 22.9 7.680 -0.000 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.2268 1657.6 2.9 scans 35% 290 m/z 19% 0.00188% 964 1.4 19 1424 0.00209% 6367 6367 7068 0-0 1: 290 0.940 16.28 -3.5 80 89 55 89 392 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6151 1684.6 2.7 scans 71% TIC 8.9% 0.0111% 1001 1.7 48 3045 0.0503% 37538 37538 170099 0-0 0.962 16.68 -4.2 90 92 82 92 497 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9244 1706.4 >4 scans 74% TIC 9.1% 0.0150% 1030 1.0 64 2996 0.213% 50745 50745 720300 0-0 0.982 16.99 -4.7 90 91 86 91 422 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9960 1711.6 3.2 scans 69% 305 m/z 3.6% 0.0337% 1037 1.2 77 7469 0.101% 114123 111845 341551 0-2 13: 305 307 217 319 306 205 103 277 129 218 189 148 308 0.955 17.06 -4.9 84 84 80 84 510 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5631 1753.0 2.8 scans 87% TIC 0.60% 0.120% 1091 0.8 152 44822 0.368% 408899 355205 1244462 0-1 0.992 17.63 -5.0 95 94 93 95 450 19.7 1.684 -0.069 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6978 1762.8 3.3 scans 81% 73 m/z (217) 0.53% 0.364% 1104 0.8 218 50817 1232270 1166358 1-2 20: 73 334 204 256 335 147 255 75 375 167 211 336 183 257 285 205 166 267 74 151 0.984 17.70 -0.1 95 97 94 97 375 24.7 1.285 -0.001 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1086 Fructofuranose 18.0619 1789.4 3.0 scans 56% 217 m/z (145) 2.2% 0.0546% 1138 1.5 95 12235 0.175% 184903 177266 591796 1-0 9: 217 437 438 439 218 219 303 215 440 0.972 18.13 -5.2 89 90 87 94 437 29.6 9.612 -0.072 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN TAB_REP6-N1048 Citric acid 18.2460 1803.0 2.6 scans 44% 273 m/z 3.1% 0.0352% 1156 1.1 85 8786 0.0367% 119135 114674 124108 1-0 13: 273 375 363 347 274 465 211 275 364 376 183 466 67 0.995 18.24 0.2 95 95 89 97 465 14.9 3.043 0.002 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5964 1829.7 4.9 scans 84% TIC 0.93% 0.193% 1189 0.6 147 29331 1.42% 653175 565342 4801999 3-0 0.988 18.67 -5.6 92 91 91 94 319 24.5 2.793 -0.073 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1076 Pregnane?? 18.7795 1843.7 2.9 scans 97% 345 m/z 0.092% 1.32% 1206 1.0 487 296712 4465757 4334720 1-1 20: 345 73 346 255 147 347 204 256 334 191 419 435 133 372 257 74 148 239 75 348 0.999 18.86 -6.0 100 100 99 100 537 36.4 0.561 -0.079 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1072 Fructose 18.9846 1859.3 4.2 scans 97% 73 m/z 0.016% 13.3% 1226 0.4 1312 1631296 45084937 43360369 1-1 20: 73 307 217 103 147 308 277 218 309 133 364 205 189 117 74 219 104 148 89 191 1.000 19.03 -3.7 100 98 99 100 364 151.6 1.340 -0.048 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN TAB_REP6-N1052 Fructose 19.1120 1869.0 4.0 scans 95% TIC 0.019% 10.8% 1238 0.8 1197 1396231 36756808 35916302 1-2 0.995 19.10 0.6 99 98 99 99 364 141.3 1.398 0.008 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN BRA4_R~2-N1004 Galactose 19.2256 1877.7 >2 scans 29% TIC 2.6% 0.0164% 1249 0.8 89 10389 13.4% 55723 55723 45314635 0-0 0.704 19.36 -10.4 84 88 73 89 364 4.1 0.215 -0.135 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN TAB_REP6-N1056 Glucose 19.3340 1886.0 5.1 scans 95% 73 m/z (172) 0.012% 19.5% 1259 0.3 1475 2145714 66002949 65973667 1-0 20: 73 205 147 320 160 217 321 103 206 229 117 157 129 133 74 204 148 189 207 218 0.999 19.33 0.2 98 99 99 99 364 99.4 0.455 0.002 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1064 Mannose 19.3340 1886.0 5.1 scans 98% 73 m/z 0.012% 20.1% 1259 0.3 1502 2149559 67998202 67968036 1-0 20: 73 205 147 320 160 217 321 103 206 229 117 157 129 133 74 204 148 189 207 218 0.997 19.45 -9.2 100 99 99 100 319 596.5 15.820 -0.121 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1062 Glucose 19.5528 1902.8 2.7 scans 97% TIC 0.030% 4.72% 1280 0.6 938 905892 15963415 15711413 2-0 0.996 19.66 -8.3 100 99 99 99 319 353.5 14.252 -0.103 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2862 1961.8 2.7 scans 87% TIC 0.87% 0.119% 1350 1.4 149 31325 404114 369569 1-3 0.986 20.41 -10.2 94 93 93 94 217 34.1 5.254 -0.128 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1052 Gluconic acid 2 20.5114 1979.9 3.4 scans 71% TIC 2.9% 0.0334% 1371 1.1 94 9379 1.07% 112949 112949 3618407 0-0 0.974 20.60 -6.8 90 90 85 90 613 0.0 0.000 -0.086 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6688 2076.2 2.8 scans 98% 305 m/z 0.023% 8.01% 1481 0.6 1240 1181159 27119491 27110783 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 129 367 133 219 148 0.999 21.75 -6.7 100 100 100 100 507 101.9 0.677 -0.080 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8750 2093.5 3.5 scans 92% 319 m/z 0.77% 0.228% 1501 1.3 182 35295 773332 696632 1-2 20: 319 73 205 147 320 217 206 74 117 204 229 133 157 148 89 322 291 129 207 149 0.998 21.93 -4.6 97 96 96 97 656 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1896 2120.8 3.1 scans 91% 396 m/z 0.78% 0.159% 1530 1.5 163 34765 539377 535321 0-2 19: 396 219 397 381 398 220 191 307 382 293 249 221 399 383 267 308 192 309 250 0.981 22.19 0.3 97 96 88 96 396 75.9 21.641 0.004 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6884 2164.3 3.1 scans 82% 204 m/z 7.1% 0.0104% 1578 1.2 42 3847 0.0184% 35181 33480 62223 1-0 4: 204 73 205 217 0.982 22.71 -2.2 88 89 85 89 518 0.0 0.000 -0.026 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6602 2344.6 3.3 scans 92% 73 m/z 2.7% 0.0656% 1765 0.6 95 10018 221949 213695 4-1 20: 73 331 421 191 217 147 103 262 205 332 319 218 422 259 305 74 192 333 308 306 0.999 24.65 1.0 93 93 89 93 466 5.8 0.368 0.010 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5373 2529.4 2.8 scans 74% 512 m/z 16% 0.00648% 1944 0.9 36 1630 21920 21920 0-0 4: 512 455 456 247 0.970 26.57 -3.7 83 85 62 85 512 16.4 21.273 -0.036 G:\GCMS data\Nicotiana Panel polar\N528_REP3.FIN LQC1-N1014 Sucrose 27.3854 2617.5 3.2 scans 96% 361 m/z 0.011% 10.2% 2024 0.6 1293 2361225 34796945 32442407 1-4 20: 361 362 73 217 437 363 147 271 451 103 438 169 129 319 218 243 439 191 452 364 0.999 27.49 -11.2 100 100 99 100 437 267.7 4.315 -0.105 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN EXBLK5S-N1006 Contamination 6.3742 1048.4 4.3 scans 71% TIC 0.96% 0.0510% 27 2.1 114 27442 0.0642% 266629 235073 335047 3-0 0.984 6.63 -14.9 99 98 94 98 295 36.4 10.108 -0.251 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8551 1076.9 >11 scans 35% 147 m/z 6.7% 0.0212% 73 0.3 47 3952 0.0499% 111021 100634 260418 0-6 2: 147 117 0.929 6.82 2.0 91 90 91 97 295 2.4 0.000 0.034 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1194 Alanine 7.4243 1110.7 10.3 scans 62% 116 m/z 1.8% 0.0701% 127 0.8 79 14755 0.0848% 365910 365910 442555 0-0 1: 116 0.974 7.40 1.2 94 94 93 95 283 2.2 0.000 0.020 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9431 1141.4 2.7 scans 77% 156 m/z 1.6% 0.0305% 176 1.1 95 16405 0.0353% 159278 154372 184224 1-2 9: 156 75 55 157 54 61 76 158 74 0.984 7.96 -0.8 99 98 97 99 156 51.6 29.681 -0.014 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1192 Contamination 8.0241 1146.2 2.6 scans 78% 73 m/z 2.1% 0.0279% 184 1.0 100 12396 0.0466% 145928 144843 243196 1-0 19: 73 147 133 235 220 146 148 59 72 86 89 149 160 100 103 74 131 236 70 0.975 7.99 2.0 95 94 95 98 235 19.6 3.880 0.035 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN WTF2-N1026 Cadaverine NC 8.2019 1156.8 2.8 scans 61% 174 m/z 5.8% 0.00963% 201 1.2 50 4520 0.0136% 50289 42754 70976 0-6 8: 174 113 216 175 142 86 84 56 0.945 7.74 27.6 86 86 68 95 216 11.3 5.015 0.466 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1188 Contamination 8.3839 1167.6 4.0 scans 84% 281 m/z 1.6% 0.0554% 218 2.1 102 16024 0.0705% 289423 247702 367926 8-0 19: 281 369 147 73 282 283 265 370 207 371 249 148 250 267 191 284 149 74 193 0.996 8.41 -1.8 98 97 83 99 369 29.0 8.035 -0.031 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1190 Contamination 8.4660 1172.4 3.0 scans 79% TIC 2.2% 0.0220% 226 1.1 83 12045 0.102% 114823 114666 532318 0-1 0.973 8.48 -1.1 92 90 88 94 309 7.5 0.821 -0.018 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1186 Phosphate 8.5712 1178.7 2.3 scans 62% 241 m/z 1.8% 0.0165% 236 1.2 77 14118 86511 86266 0-1 9: 241 242 211 243 133 195 163 135 256 0.824 8.56 0.7 94 94 86 97 299 0.0 0.000 0.010 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1184 Valine 9.1889 1215.1 3.8 scans 72% 144 m/z (156) 2.6% 0.0203% 295 0.6 64 9977 0.0330% 106449 97142 172221 4-5 5: 144 73 218 145 219 0.971 9.19 0.1 95 97 91 97 218 19.8 9.663 0.001 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1180 Benzoic acid 9.7549 1248.2 3.2 scans 70% 179 m/z (217) 3.6% 0.0177% 349 0.8 62 7314 92835 80118 12-2 7: 179 105 135 77 194 180 136 0.952 9.76 -0.3 94 96 89 98 194 10.0 2.563 -0.004 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1178 Ethanolamine 10.0043 1262.8 4.3 scans 74% 174 m/z 2.0% 0.0318% 372 1.1 77 13026 0.192% 166406 133784 1002011 5-0 8: 174 73 175 100 86 176 59 117 0.969 10.03 -1.7 94 93 91 97 262 8.5 1.244 -0.030 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN VEN77_S6-N1002 Glycerol 10.0864 1267.6 2.8 scans 94% TIC 0.037% 1.07% 380 1.0 559 701055 5628406 5257811 1-1 0.979 10.09 -0.4 100 99 97 100 299 337.4 36.562 -0.008 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2495 1277.1 2.7 scans 86% 73 m/z 1.2% 0.0341% 396 1.0 100 20669 178369 170668 1-3 12: 73 198 77 211 70 199 74 381 72 143 200 142 0.995 10.24 0.5 96 96 94 96 381 10.4 1.102 0.009 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1176 Isoleucine 10.4378 1288.2 3.3 scans 62% 158 m/z 3.4% 0.0124% 414 1.0 54 7816 0.0130% 64952 63763 67844 3-0 4: 158 218 159 232 0.980 10.46 -1.2 95 96 89 95 260 0.0 0.000 -0.021 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1174 Proline 10.5241 1293.2 3.2 scans 62% 142 m/z 1.4% 0.0221% 422 0.8 72 18594 0.0561% 115585 101123 292775 5-0 6: 142 143 216 144 72 265 0.951 10.55 -1.2 90 90 85 91 142 54.9 58.595 -0.021 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1014 Maleic acid 10.6072 1298.1 2.6 scans 97% TIC 0.070% 0.571% 430 0.9 417 379441 2.35% 2981215 2933971 12264195 1-0 0.999 10.60 0.3 99 98 98 99 245 97.2 5.446 0.005 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1170 Glycine 10.6640 1301.4 3.8 scans 66% TIC 1.0% 0.0274% 435 1.0 110 26513 1.69% 143035 143035 8819783 0-0 0.983 10.69 -1.4 96 96 90 96 276 17.2 2.426 -0.023 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7503 1306.6 3.1 scans 93% TIC 0.031% 1.64% 443 1.1 617 854529 2.21% 8563059 8235827 11533562 2-1 0.968 10.76 -0.5 99 98 97 100 251 140.9 5.237 -0.008 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1168 Glyceric acid 11.0207 1322.9 2.5 scans 93% 73 m/z 0.36% 0.169% 469 1.0 239 72930 0.174% 885336 832575 908072 1-4 20: 73 147 292 189 133 103 293 205 117 190 102 148 74 307 75 149 59 294 101 191 0.990 11.05 -2.0 100 99 98 99 292 71.6 8.967 -0.033 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0849 1326.8 2.8 scans 68% TIC 7.9% 0.00778% 475 1.0 54 3360 0.141% 40603 40603 735852 0-0 0.952 11.06 1.3 91 91 83 94 285 16.5 9.428 0.022 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1018 Uracil 11.1417 1330.2 2.6 scans 65% 241 m/z 7.9% 0.00830% 480 1.2 49 3341 0.00862% 43337 41114 44986 1-3 6: 241 255 99 256 242 113 0.947 11.15 -0.4 95 94 86 99 256 15.9 10.564 -0.006 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1164 Itaconic acid 11.2206 1335.0 2.6 scans 78% 147 m/z 1.8% 0.0235% 488 0.9 86 14619 0.0250% 122847 112018 130470 1-1 10: 147 73 148 259 215 149 97 230 67 141 0.951 11.25 -1.9 94 93 91 95 259 17.3 4.020 -0.031 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1162 Fumaric acid 11.3701 1344.0 2.5 scans 97% 245 m/z 0.067% 0.622% 502 0.9 451 397160 3247781 3137887 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 74 115 84 155 157 53 61 59 58 1.000 11.39 -1.3 100 99 99 99 245 253.9 31.741 -0.023 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4627 1349.5 3.2 scans 41% 57 m/z 1.2% 0.0424% 511 1.0 104 21046 0.0815% 221406 212930 425333 2-0 14: 57 97 115 145 127 56 69 111 109 59 128 71 146 87 0.733 11.45 1.0 91 91 92 97 145 29.6 8.073 0.017 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4753 1350.3 3.0 scans 57% 84 m/z 0.61% 0.0701% 512 1.3 136 43418 366231 338341 2-1 17: 84 162 161 119 92 65 118 85 82 51 63 78 91 120 64 104 105 0.921 10.96 31.3 84 87 89 94 161 34.9 6.570 0.519 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1020 Serine 11.5121 1352.5 2.7 scans 94% TIC 0.22% 0.326% 516 0.9 297 119356 0.408% 1701928 1653613 2129273 0-1 0.993 11.51 -0.1 100 99 99 100 306 30.4 1.045 -0.001 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN BRA4_R~2-N1008 Thymine 11.5973 1357.6 2.9 scans 48% 255 m/z 9.8% 0.00329% 524 1.0 30 2705 17198 17198 0-0 3: 255 256 270 1.000 11.58 0.8 96 97 95 97 270 11.5 14.267 0.013 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1024 Threonine 11.9183 1377.0 2.7 scans 86% 73 m/z 1.7% 0.0429% 554 1.2 110 14835 0.0461% 223913 193962 240587 6-3 20: 73 218 219 117 291 292 147 101 220 203 132 57 202 74 221 128 133 129 118 320 0.986 11.92 -0.1 98 97 95 98 320 9.5 0.745 -0.003 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1148 Glutamine?? 13.2935 1462.5 2.6 scans 83% 155 m/z 0.72% 0.0564% 685 1.0 134 36731 0.0959% 294530 279734 500484 1-2 15: 155 156 139 229 100 59 157 84 257 72 230 131 103 56 61 0.973 13.35 -3.4 98 98 95 98 257 10.5 0.619 -0.054 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1146 Malic acid 13.5702 1479.9 3.9 scans 99% 73 m/z 0.015% 6.37% 711 0.3 1148 1705971 33265955 32996363 1-0 20: 73 147 133 190 148 191 175 75 234 74 149 55 101 131 59 117 72 235 192 134 0.999 13.62 -2.9 100 100 100 100 350 31.3 0.075 -0.047 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0205 1508.7 2.5 scans 27% 232 m/z (156) 0.78% 0.0431% 754 1.2 117 33807 225265 218722 0-1 15: 232 233 218 100 234 202 188 219 216 334 221 220 203 349 292 0.717 14.02 0.2 91 92 90 98 258 5.5 0.000 0.004 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0384 1509.9 3.5 scans 88% TIC 0.16% 0.321% 756 0.8 279 165057 1678350 1556408 1-1 0.986 14.03 0.6 99 99 99 99 258 55.4 3.945 0.008 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0395 1510.0 3.0 scans 92% 156 m/z 0.15% 0.300% 756 0.8 285 176146 1568472 1506158 1-1 20: 156 73 157 147 258 230 158 74 140 148 259 59 72 231 121 58 86 112 55 214 0.991 14.11 -4.7 99 97 96 99 273 11.8 0.172 -0.071 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1032 GABA 14.1889 1519.9 2.9 scans 89% TIC 0.69% 0.0959% 770 1.9 160 38333 0.164% 500901 466264 855884 5-0 0.989 14.19 0.1 99 98 97 98 304 48.7 9.322 0.001 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6098 1547.8 2.8 scans 77% 73 m/z (217) 2.4% 0.0261% 810 1.6 84 10758 136243 130720 0-1 15: 73 292 147 293 220 205 319 103 117 221 74 133 294 148 102 0.984 14.62 -0.8 84 84 81 88 409 6.6 0.618 -0.011 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6108 1547.9 3.8 scans 72% TIC 2.3% 0.0274% 810 1.9 81 11200 143112 132068 0-1 0.954 14.69 -5.3 86 85 81 88 409 5.9 0.530 -0.081 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3800 1598.9 2.5 scans 71% 217 m/z 1.5% 0.0187% 883 1.2 83 17350 0.0417% 97613 97613 217624 0-0 8: 217 218 219 215 230 189 74 103 0.964 15.44 -4.1 94 94 91 95 393 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1036 Glutamic acic 15.5031 1607.4 2.4 scans 48% 246 m/z 6.7% 0.00440% 895 1.1 39 3924 22964 22964 0-0 3: 246 128 247 0.935 15.50 -0.0 94 96 78 95 363 5.2 1.735 0.000 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1118 Phenylalanine 15.6020 1614.2 2.6 scans 38% 218 m/z 2.1% 0.0220% 904 1.2 80 12125 114813 114291 0-2 6: 218 192 219 100 266 132 0.596 15.66 -4.0 88 92 60 92 294 6.1 0.582 -0.057 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1038 Xylose 15.8903 1634.3 3.3 scans 70% 73 m/z 3.0% 0.0214% 932 1.3 78 8747 0.0298% 111815 101260 155520 1-0 11: 73 217 307 103 308 277 147 189 160 309 104 0.967 15.89 0.1 89 89 86 94 307 23.2 8.763 0.000 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1042 Ribose 15.8903 1634.3 >3 scans 80% TIC 2.4% 0.0219% 932 0.8 84 10655 0.140% 114348 110847 730633 1-0 0.987 16.10 -14.7 91 90 88 92 307 22.8 7.350 -0.213 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1040 Xylose 16.0050 1642.2 2.6 scans 91% 73 m/z 0.63% 0.106% 943 1.0 180 41783 553412 532498 1-1 20: 73 103 217 307 147 308 189 277 160 218 309 133 204 104 74 105 205 89 148 234 0.982 16.00 0.1 97 95 97 99 307 49.3 7.490 0.001 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.2270 1657.6 2.6 scans 50% 290 m/z 3.1% 0.00828% 964 1.7 46 8415 43223 41088 1-3 5: 290 291 292 158 392 0.946 16.28 -3.5 94 94 60 94 392 8.9 3.780 -0.049 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1108 Ribose 16.3164 1663.8 2.6 scans 54% 307 m/z 2.9% 0.0249% 972 1.0 85 9136 130390 114675 2-8 8: 307 103 308 277 309 104 258 105 0.940 16.38 -4.1 88 88 83 90 467 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6142 1684.5 2.7 scans 75% 73 m/z 3.4% 0.0237% 1001 1.6 84 7720 0.0483% 123691 123691 252068 0-0 15: 73 307 319 217 147 103 320 308 306 277 205 309 129 218 229 0.988 16.68 -4.3 96 96 90 96 497 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9257 1706.5 2.9 scans 76% TIC 2.2% 0.0266% 1030 1.6 102 11989 0.189% 138875 138875 986354 0-0 0.982 16.99 -4.6 80 80 84 80 422 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9962 1711.6 2.9 scans 89% TIC 1.0% 0.0872% 1037 1.1 155 26528 0.221% 455386 441780 1153356 0-2 0.989 17.06 -4.9 97 96 95 96 510 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1044 Putrescine 17.1877 1725.6 2.6 scans 63% 174 m/z (73) 1.6% 0.0185% 1055 1.0 76 15963 97018 95337 0-1 10: 174 175 176 361 86 130 200 146 100 142 0.985 17.19 -0.0 93 94 92 96 376 4.6 0.374 -0.000 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1096 Putrescine 17.1877 1725.6 2.6 scans 60% 174 m/z 1.6% 0.0175% 1055 1.0 74 16521 91514 89929 0-1 10: 174 175 176 361 86 130 200 146 100 142 0.997 17.25 -4.4 97 96 96 98 458 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1094 cis-Aconitic acid 17.3034 1734.0 3.4 scans 59% TIC 7.7% 0.00750% 1066 1.9 45 3416 39146 39146 0-0 0.937 17.36 -4.3 80 80 79 82 436 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5654 1753.2 2.6 scans 93% TIC 0.20% 0.217% 1091 1.2 262 127364 1.48% 1132948 1057876 7723833 2-0 0.999 17.63 -4.8 97 95 96 97 450 34.1 1.686 -0.067 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7032 1763.2 2.7 scans 75% 334 m/z (217) 0.24% 0.400% 1104 0.8 339 106862 2090019 1972759 1-2 15: 334 204 256 335 255 375 336 167 183 166 285 267 211 206 151 0.997 17.70 0.3 93 94 94 95 375 42.8 1.589 0.004 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1086 Fructofuranose 18.0641 1789.6 2.7 scans 94% TIC 0.18% 0.380% 1138 1.2 332 141834 1.13% 1987050 1927797 5897251 1-0 0.998 18.13 -5.0 95 93 94 97 437 94.9 8.198 -0.070 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1084 Shikimic acid 18.1262 1794.1 2.6 scans 28% 204 m/z 0.69% 0.0442% 1144 1.1 115 38211 0.0713% 231119 207622 372101 0-4 15: 204 206 255 357 254 462 358 331 282 359 195 283 239 463 356 0.785 18.20 -5.1 95 95 91 98 462 12.6 1.196 -0.071 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1082 Citric acid 18.2493 1803.2 3.0 scans 88% TIC 0.23% 0.379% 1156 1.1 321 113367 1.01% 1982670 1850798 5270994 0-4 0.989 18.32 -5.5 96 94 92 99 465 45.3 1.994 -0.072 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1046 Shikimic acid 18.3293 1809.3 4.2 scans 61% TIC 3.7% 0.0171% 1164 1.7 64 7185 0.737% 89299 71789 3846260 0-5 0.974 18.13 15.3 82 81 77 84 372 7.6 1.401 0.204 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5892 1829.2 3.9 scans 83% 73 m/z 1.4% 0.0740% 1188 0.9 129 18898 0.0755% 386261 379904 394020 2-1 15: 73 191 319 147 192 320 129 193 74 305 103 321 332 133 243 0.982 18.67 -6.1 89 88 89 90 319 29.1 5.051 -0.080 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1076 Pregnane?? 18.7849 1844.1 3.1 scans 97% TIC 0.056% 1.39% 1207 1.0 601 469075 7297553 7080186 1-1 1.000 18.86 -5.6 100 99 99 100 537 44.7 0.553 -0.073 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1074 Adenine 18.8828 1851.5 3.2 scans 30% 264 m/z 4.5% 0.00700% 1216 1.6 41 5896 0.134% 36546 34761 699320 1-0 4: 264 265 279 266 0.965 18.94 -4.4 87 86 77 93 415 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1072 Fructose 18.9911 1859.8 5.5 scans 98% 73 m/z 0.015% 12.2% 1227 0.7 1357 1770057 64161301 63292987 1-0 20: 73 307 217 103 147 308 218 277 133 309 364 189 205 74 219 104 89 148 191 75 0.999 19.03 -3.2 100 98 99 100 364 158.6 1.371 -0.042 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1050 Fructose 19.0027 1860.7 6.0 scans 81% 260 m/z 0.019% 4.14% 1228 3.0 1181 1344073 9.85% 21628429 21628429 51405243 0-0 20: 260 159 128 242 156 54 61 187 127 570 466 448 182 168 70 237 294 165 493 467 1.000 18.98 1.7 100 99 100 99 364 139.9 1.409 0.023 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1052 Fructose 19.1226 1869.8 5.4 scans 100% 555 m/z 0.017% 10.0% 1239 0.5 1275 1538970 10.0% 52227018 51055155 52188064 1-0 20: 555 230 523 569 265 467 367 557 392 289 271 269 342 363 169 571 374 162 210 67 0.999 19.10 1.4 100 99 99 100 364 152.8 1.440 0.019 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1068 Galactopyranose 19.2395 1878.8 >4 scans 79% 204 m/z 0.18% 0.286% 1250 1.2 295 140770 19.4% 1497096 1497096 101244844 0-0 20: 204 191 73 147 217 205 206 192 218 129 193 74 189 203 435 305 117 133 131 393 0.999 19.32 -5.7 97 96 95 98 435 21.2 0.518 -0.076 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1056 Glucose 19.3415 1886.5 6.4 scans 23% 71 m/z 0.033% 2.91% 1260 0.3 734 797173 3.85% 15232919 15232919 20092405 0-0 9: 71 317 465 200 309 362 422 253 239 0.844 19.33 0.7 97 97 77 98 364 66.2 0.815 0.010 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN BRA4_R~2-N1004 Galactose 19.3520 1887.3 6.3 scans 83% 319 m/z (309) 0.011% 14.9% 1261 0.3 1439 2231269 78267673 76792835 5-0 20: 319 73 205 147 160 320 217 321 103 206 117 229 74 133 157 129 148 189 161 204 0.985 19.36 -0.8 95 97 97 98 364 60.4 0.000 -0.009 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1064 Mannose 19.3520 1887.3 6.3 scans 97% 319 m/z 0.011% 17.3% 1261 0.3 1554 2339187 90805693 89094594 5-0 20: 319 73 205 147 160 320 217 321 103 206 117 229 74 133 157 129 148 189 161 204 0.998 19.45 -7.9 100 99 99 100 319 616.3 15.793 -0.103 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1062 Glucose 19.5646 1903.7 3.0 scans 97% TIC 0.022% 4.59% 1281 0.6 1095 1188286 23966276 23646390 2-0 0.999 19.66 -7.4 100 99 99 99 319 423.2 15.003 -0.091 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1060 Lysine 19.6193 1908.1 3.0 scans 18% 317 m/z 15% 0.00431% 1286 1.0 35 1704 0.0300% 22504 22504 156564 0-0 3: 317 174 156 0.979 19.69 -6.0 82 85 70 85 479 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7224 1916.4 2.9 scans 59% 319 m/z 5.2% 0.0119% 1296 1.3 67 5114 0.0471% 62610 62610 245806 0-0 9: 319 320 205 217 117 244 307 103 321 0.957 19.79 -5.5 81 81 76 85 434 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2906 1962.1 2.5 scans 94% 204 m/z 0.098% 0.555% 1350 1.0 428 270178 2899468 2775376 1-1 20: 204 73 191 147 205 217 206 192 129 74 189 218 103 133 193 148 75 117 305 149 0.987 20.41 -9.9 99 98 97 99 217 93.9 4.813 -0.123 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1052 Gluconic acid 2 20.5147 1980.1 2.7 scans 82% 73 m/z 1.9% 0.0494% 1371 1.1 110 13373 257873 224436 3-1 20: 73 292 319 147 217 205 305 333 293 103 320 433 321 218 277 359 306 74 294 189 0.992 20.60 -6.6 90 90 90 90 613 0.0 0.000 -0.082 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN WTF2-N1038 C16:0 21.1418 2031.9 3.1 scans 87% 313 m/z 2.9% 0.0359% 1431 1.5 94 9125 187609 160143 1-8 15: 313 117 73 75 132 129 314 145 55 57 328 131 118 74 201 0.991 20.62 43.6 88 93 90 95 328 10.5 1.254 0.525 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6700 2076.3 2.9 scans 98% 305 m/z 0.023% 5.12% 1481 0.6 1208 1141592 26765188 26489352 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 367 133 129 291 148 1.000 21.75 -6.6 100 100 99 100 507 99.8 0.685 -0.079 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8605 2092.3 3.2 scans 96% 319 m/z 0.19% 0.538% 1499 1.1 365 137083 2809444 2716521 1-2 20: 319 73 205 147 320 217 321 103 262 206 117 74 133 204 229 89 148 157 129 207 0.997 21.93 -5.8 96 94 97 99 656 8.4 0.053 -0.070 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1951 2121.2 2.6 scans 96% 396 m/z 0.11% 0.631% 1531 0.9 452 226766 0.652% 3296510 3190732 3402662 1-0 20: 396 219 73 397 381 398 220 191 307 319 382 249 147 293 75 205 74 399 221 308 1.000 22.19 0.7 97 95 93 99 396 191.9 18.071 0.009 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6707 2162.8 3.2 scans 92% 204 m/z 1.0% 0.0552% 1576 1.1 120 25032 0.113% 288377 281112 589725 1-0 20: 204 73 205 147 217 145 206 361 191 117 75 131 218 103 74 133 189 149 305 148 0.997 22.71 -3.7 95 94 96 97 518 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN WTF2-N1036 C18:0 23.3988 2227.6 3.9 scans 83% 341 m/z 5.5% 0.0210% 1646 2.3 64 4786 0.0295% 109759 106646 153955 0-1 10: 341 117 73 342 132 129 145 55 57 356 0.966 22.89 45.8 85 92 82 92 356 9.1 2.022 0.510 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6530 2343.9 3.2 scans 96% 73 m/z 0.59% 0.222% 1765 0.6 210 44584 0.231% 1160741 1121668 1205544 1-4 20: 73 147 217 331 191 307 205 262 103 421 319 332 305 333 259 422 74 204 308 192 0.996 24.65 0.3 99 98 98 99 466 12.8 0.372 0.003 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7477 2352.9 2.9 scans 76% 73 m/z 7.2% 0.0133% 1774 0.8 56 3688 0.125% 69769 57238 652351 0-7 9: 73 217 292 375 204 305 147 218 103 0.995 24.81 -5.5 82 82 79 82 451 6.3 1.247 -0.057 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5322 2528.8 3.1 scans 84% TIC 2.3% 0.0499% 1943 1.1 113 11399 0.292% 260811 248570 1523891 0-1 0.989 26.57 -4.3 97 97 89 97 512 41.0 13.292 -0.041 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9131 2568.2 6.0 scans 67% TIC 5.9% 0.00672% 1979 1.6 50 4469 0.0240% 35114 35114 125251 0-0 0.974 26.39 53.6 82 91 73 91 459 8.2 2.727 0.519 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1020 Sucrose 27.4056 2619.7 7.7 scans 9.9% 437 m/z (361) 0.048% 2.03% 2026 1.1 476 547979 10607073 10562325 1-0 20: 437 451 438 439 452 453 423 307 441 366 173 185 466 115 308 424 151 200 176 209 0.697 27.46 -5.9 94 97 93 98 437 298.3 39.346 -0.055 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1010 Sucrose 27.4056 2619.7 7.7 scans 100% 437 m/z 0.0082% 20.2% 2026 1.1 1518 3217571 105892347 105445615 1-0 20: 437 451 438 439 452 453 423 307 441 366 173 185 466 115 308 424 151 200 176 209 0.997 27.58 -18.5 100 99 98 99 437 298.3 3.887 -0.173 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1018 Sucrose 27.4150 2620.7 7.6 scans 67% 361 m/z (217) 0.0082% 12.1% 2027 0.6 1250 3217571 14.2% 63527126 61802911 74107050 1-0 20: 361 362 363 319 189 204 205 321 365 273 244 305 450 143 345 332 203 221 246 171 0.959 27.47 -5.8 87 89 71 88 437 298.3 5.733 -0.055 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1014 Sucrose 27.4203 2621.3 >6 scans 89% TIC 0.0083% 16.0% 2028 0.5 1446 3169766 19.0% 83797265 81475956 99157321 1-0 1.000 27.49 -7.4 100 99 99 99 437 292.0 4.108 -0.070 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1012 Sucrose 27.4413 2623.5 7.4 scans 40% 73 m/z (257) 0.016% 8.09% 2030 0.2 972 1565858 42267109 41247496 1-1 20: 73 217 147 271 103 169 129 243 218 319 191 74 189 133 331 219 204 272 117 230 0.935 27.50 -6.4 80 85 89 91 437 16.6 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1016 Sucrose 27.4413 2623.5 7.4 scans 50% 73 m/z (291) 0.016% 10.1% 2030 0.2 1088 1565858 52943368 51666210 1-1 20: 73 217 147 271 103 169 129 243 218 319 191 74 189 133 331 219 204 272 117 230 0.969 27.48 -3.8 88 90 94 92 437 16.6 0.000 -0.036 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1008 Sucrose 27.4413 2623.5 7.4 scans 99% 73 m/z 0.0086% 19.7% 2030 0.2 1530 3072379 102989659 100505231 1-1 20: 73 217 147 271 103 169 129 243 218 319 191 74 189 133 331 219 204 272 117 230 1.000 27.59 -16.0 100 99 98 99 437 284.8 3.489 -0.150 G:\GCMS data\Nicotiana Panel polar\N528_REP4.FIN LQC1-N1006 Trehalose 28.3830 2725.3 3.4 scans 84% 361 m/z 3.7% 0.0234% 2119 1.0 80 7087 0.0822% 122417 122417 428986 0-0 16: 361 73 362 319 217 147 271 243 363 169 218 129 451 103 204 74 0.984 28.47 -9.6 83 81 78 90 565 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN EXBLK5S-N1006 Contamination 6.3510 1047.1 4.9 scans 55% 207 m/z 2.0% 0.137% 25 1.6 73 12090 272834 174697 10-4 8: 207 295 208 209 191 296 297 279 0.970 6.63 -16.2 96 95 87 96 295 24.6 11.214 -0.274 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN A-KETO~2-N1006 Contamination?? 7.9430 1141.4 2.8 scans 76% TIC 3.0% 0.0384% 176 1.6 69 8137 0.0864% 76413 76413 171874 0-0 0.977 7.96 -0.8 98 98 95 98 156 36.4 28.073 -0.014 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1192 Contamination 8.0250 1146.3 2.5 scans 61% TIC 6.7% 0.0169% 184 1.2 53 3665 0.0696% 33739 33377 138454 1-0 0.938 7.99 2.1 87 86 85 92 235 10.5 3.923 0.036 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN WTF2-N1026 Cadaverine NC 8.1913 1156.2 3.6 scans 36% 174 m/z 14% 0.00660% 200 0.8 25 1709 0.0115% 13142 13142 22877 0-0 1: 174 0.968 7.74 27.0 84 89 77 89 216 6.4 6.339 0.455 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1188 Contamination 8.3733 1166.9 4.6 scans 82% 281 m/z 2.0% 0.106% 217 2.1 90 12080 0.154% 212541 212030 306349 1-0 18: 281 73 147 369 283 282 265 371 370 249 207 149 191 251 266 267 193 284 0.994 8.41 -2.5 98 97 83 99 369 25.5 7.971 -0.042 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1190 Contamination 8.4627 1172.2 3.1 scans 64% 73 m/z 4.4% 0.0304% 226 1.2 57 5604 0.0761% 60529 58056 151384 0-3 11: 73 140 211 77 198 70 126 186 69 84 74 0.951 8.48 -1.3 87 86 81 89 309 3.9 0.462 -0.021 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1186 Phosphate 8.5711 1178.7 2.2 scans 50% 241 m/z 3.0% 0.0238% 236 1.2 58 8125 47402 47402 1-0 9: 241 242 211 256 243 133 163 195 135 0.651 8.56 0.7 90 91 74 94 299 0.0 0.000 0.010 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1184 Valine 9.1898 1215.1 4.3 scans 52% TIC 7.3% 0.00861% 295 0.7 33 3377 0.0589% 17141 17141 117169 0-0 0.913 9.19 0.1 90 91 78 91 218 10.3 9.800 0.002 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1180 Benzoic acid 9.7549 1248.2 3.0 scans 66% 179 m/z 6.0% 0.0253% 349 0.8 47 4111 50369 46739 1-2 5: 179 135 105 180 194 0.944 9.76 -0.3 94 94 87 97 194 8.0 2.834 -0.004 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1178 Ethanolamine 9.9969 1262.4 4.5 scans 61% 174 m/z 6.0% 0.0308% 371 1.4 46 4110 0.0573% 61324 54615 113986 3-0 5: 174 201 175 86 117 0.950 10.03 -2.1 81 78 71 89 262 3.8 0.683 -0.037 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN VEN77_S6-N1002 Glycerol 10.0821 1267.4 2.5 scans 95% 299 m/z 0.063% 1.46% 380 1.0 420 391895 2906296 2901275 0-1 20: 299 300 73 314 301 211 133 283 315 207 193 191 135 316 302 74 225 181 137 115 0.992 10.09 -0.6 100 99 97 100 299 252.3 36.212 -0.012 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LACTIC~1-N1034 Glycerol 10.1042 1268.6 4.3 scans 49% 205 m/z (299) 1.4% 0.154% 382 0.6 106 16495 0.167% 307604 286951 332210 2-2 6: 205 218 204 175 129 101 0.960 10.11 -0.4 95 97 95 98 293 6.8 0.414 -0.006 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2441 1276.8 2.7 scans 77% 73 m/z 2.4% 0.0353% 395 1.1 66 10250 70338 69777 0-3 8: 73 198 77 211 70 74 199 239 0.964 10.24 0.2 93 93 89 93 381 6.7 1.021 0.004 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1176 Isoleucine 10.4335 1287.9 3.0 scans 51% 158 m/z 8.0% 0.00973% 413 0.7 31 3091 19369 19369 1-0 2: 158 218 0.946 10.46 -1.5 91 93 79 92 260 0.0 0.000 -0.025 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1174 Proline 10.5240 1293.2 3.1 scans 65% 142 m/z 2.3% 0.0320% 422 0.8 55 10394 0.0537% 63741 57610 106824 4-1 4: 142 143 216 144 0.982 10.55 -1.2 94 94 87 93 142 41.1 56.711 -0.021 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6019 1297.8 2.6 scans 96% 147 m/z 0.10% 0.952% 429 1.0 334 244019 2.40% 1894378 1782102 4774272 1-3 20: 147 73 245 148 75 149 83 74 133 115 246 143 84 59 170 126 58 61 66 53 0.999 10.60 -0.0 99 98 99 99 245 75.7 5.135 -0.000 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1170 Glycine 10.6597 1301.2 >4 scans 70% TIC 1.2% 0.0860% 435 0.8 99 19517 2.23% 171186 171186 4436094 0-0 0.983 10.69 -1.6 93 92 88 93 276 15.0 2.306 -0.027 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7397 1306.0 2.9 scans 92% TIC 0.070% 1.77% 442 1.6 404 352072 2.77% 3530700 3408896 5510305 2-1 0.960 10.76 -1.1 100 99 98 100 251 88.0 4.749 -0.018 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1168 Glyceric acid 11.0196 1322.9 2.4 scans 95% 73 m/z 0.34% 0.430% 469 1.0 235 72015 0.431% 857366 824547 857380 3-1 20: 73 147 292 189 133 103 205 293 117 148 190 102 74 75 307 59 294 101 149 217 0.990 11.05 -2.0 100 99 98 99 292 68.4 8.470 -0.034 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0827 1326.7 2.6 scans 63% 184 m/z 10% 0.0162% 475 0.8 45 2416 0.0294% 32258 30134 58485 1-9 6: 184 134 285 174 77 86 0.969 11.06 1.2 92 93 84 96 285 14.2 10.077 0.020 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN TAB_REP6-N1018 Uracil 11.1395 1330.1 2.6 scans 56% 241 m/z 14% 0.0100% 480 1.1 35 1716 19924 19924 1-0 5: 241 255 256 183 242 0.932 11.15 -0.5 94 96 89 97 256 11.0 9.965 -0.008 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1164 Itaconic acid 11.2185 1334.8 2.6 scans 76% 147 m/z 2.5% 0.0440% 488 0.8 72 9649 0.0465% 87723 82640 92502 1-1 10: 147 73 148 259 215 149 97 141 74 67 0.949 11.25 -2.1 91 89 88 93 259 13.5 3.505 -0.034 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1162 Fumaric acid 11.3658 1343.7 2.4 scans 98% 245 m/z 0.10% 0.952% 502 0.9 349 227886 1895685 1892259 1-0 20: 245 147 73 246 75 143 83 247 133 148 149 115 74 53 84 155 59 61 157 58 1.000 11.39 -1.6 100 99 99 100 245 192.4 30.369 -0.027 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4584 1349.3 3.4 scans 45% 57 m/z (84) 1.6% 0.0921% 511 1.1 88 15352 0.130% 183227 165372 258606 3-2 11: 57 145 97 115 56 127 69 129 109 111 128 0.971 11.45 0.8 92 93 95 98 145 24.9 7.967 0.012 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN WTF2-N1024 Contamination 10.96min 11.4741 1350.2 3.0 scans 56% 84 m/z 1.1% 0.101% 512 1.4 100 21628 201602 181727 1-3 16: 84 133 162 161 92 119 65 82 63 51 78 118 91 104 120 54 0.956 10.96 31.2 85 85 92 97 161 23.7 5.641 0.518 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN TAB_REP6-N1020 Serine 11.5068 1352.2 3.2 scans 90% TIC 0.71% 0.261% 515 1.1 165 34592 1.29% 519985 502454 2566171 0-1 1.000 11.51 -0.4 99 98 98 99 306 15.6 0.896 -0.006 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1160 Serine 11.5078 1352.2 2.6 scans 84% 204 m/z (84) 0.71% 0.227% 515 1.0 159 34412 452843 415353 3-2 20: 204 73 218 205 100 219 147 206 278 75 220 306 74 189 116 132 216 148 203 279 0.993 11.56 -3.0 96 98 96 98 306 15.4 0.942 -0.049 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1154 Threonine 11.9171 1376.9 2.6 scans 83% TIC 3.8% 0.0367% 554 1.1 68 6470 0.0527% 73014 72750 104835 0-1 0.991 11.96 -2.6 93 93 89 94 320 5.4 0.624 -0.043 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1148 Glutamine?? 13.2881 1462.2 2.9 scans 74% 155 m/z 1.8% 0.0725% 684 1.0 87 13120 0.132% 144390 133535 262585 0-3 8: 155 73 156 229 100 139 157 59 0.942 13.35 -3.7 85 83 88 92 257 3.8 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1146 Malic acid 13.5649 1479.6 3.1 scans 97% 73 m/z 0.014% 12.8% 711 0.4 1118 1667699 25623027 24185813 1-1 20: 73 147 233 245 133 189 190 148 75 191 175 335 74 55 101 149 234 265 217 307 1.000 13.62 -3.2 100 100 99 100 350 28.6 0.065 -0.052 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0194 1508.6 2.7 scans 19% 232 m/z (156) 1.4% 0.0600% 754 1.2 85 17049 119387 119288 0-1 12: 232 233 100 218 202 188 216 221 155 132 101 102 0.710 14.02 0.1 92 93 88 98 258 5.4 0.000 0.002 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0310 1509.4 3.2 scans 87% TIC 0.28% 0.443% 755 1.0 208 85716 883011 859042 1-1 0.919 14.03 0.1 99 99 99 100 258 39.6 3.634 0.001 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0331 1509.6 3.0 scans 84% 156 m/z (232 305) 0.27% 0.406% 755 1.0 204 89143 807659 784389 1-1 20: 156 73 147 157 230 258 158 75 72 148 231 259 59 140 58 85 112 86 66 260 0.989 14.11 -5.1 94 97 96 98 273 7.9 0.149 -0.077 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN TAB_REP6-N1032 GABA 14.1857 1519.7 2.6 scans 82% 174 m/z 2.1% 0.0617% 770 1.0 86 11449 0.0619% 122822 122374 123136 2-0 13: 174 304 175 305 86 176 306 100 216 148 130 172 131 0.993 14.19 -0.1 97 97 92 96 304 24.9 8.353 -0.002 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3789 1598.8 2.6 scans 73% 217 m/z 2.7% 0.0299% 883 1.0 68 9104 0.115% 59500 59500 228767 0-0 5: 217 73 218 219 147 0.953 15.44 -4.2 91 91 86 91 393 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN TAB_REP6-N1038 Xylose 15.8860 1634.0 3.0 scans 52% 217 m/z 9.6% 0.0176% 931 1.4 41 2570 0.0206% 35113 32801 40979 1-0 3: 217 307 103 0.942 15.89 -0.2 82 82 75 90 307 12.0 8.653 -0.004 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN TAB_REP6-N1040 Xylose 16.0007 1641.9 2.6 scans 85% 73 m/z 1.6% 0.0851% 942 1.1 101 14687 169369 164584 1-0 20: 73 103 217 307 147 117 189 218 308 74 309 205 204 160 133 75 59 129 104 148 0.978 16.00 -0.2 94 93 92 95 307 26.5 6.900 -0.003 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN TAB_REP6-N1042 Ribose 16.1006 1648.9 2.7 scans 85% TIC 2.6% 0.0501% 952 0.7 78 9287 0.129% 99819 98631 256617 2-0 0.996 16.10 -0.1 96 95 93 96 307 22.5 8.343 -0.002 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.2238 1657.4 2.8 scans 49% 290 m/z 4.4% 0.0147% 963 2.1 37 5507 0.0153% 29252 29252 30436 0-0 5: 290 291 292 158 330 0.932 16.28 -3.7 90 93 59 93 392 6.6 3.239 -0.052 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6110 1684.3 2.8 scans 74% TIC 6.6% 0.0256% 1000 1.7 58 3715 0.0939% 50982 50982 186793 0-0 0.979 16.68 -4.5 93 94 85 94 497 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9235 1706.3 2.7 scans 80% 73 m/z 3.3% 0.0403% 1030 1.0 75 7351 0.227% 80335 80335 451567 0-0 12: 73 318 147 217 319 205 307 218 320 133 129 247 0.999 16.99 -4.8 85 85 84 85 422 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9919 1711.3 3.2 scans 85% TIC 2.1% 0.0929% 1036 1.6 94 11421 0.307% 184966 184427 610709 0-1 0.979 17.06 -5.2 92 92 89 92 510 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5622 1752.9 2.7 scans 90% TIC 0.66% 0.193% 1091 1.1 143 36955 0.427% 384506 351915 849423 2-2 0.997 17.63 -5.1 95 94 93 95 450 19.9 1.933 -0.070 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6905 1762.3 >3 scans 79% TIC 0.50% 0.367% 1103 2.0 208 48816 0.836% 730409 730409 1663038 0-0 0.998 17.70 -0.6 95 94 94 94 375 23.3 1.261 -0.008 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1086 Fructofuranose 18.0598 1789.3 2.6 scans 91% 73 m/z 0.55% 0.271% 1138 1.2 179 44515 0.788% 539670 492651 1567553 2-0 20: 73 217 437 147 438 218 219 257 439 74 103 129 191 133 148 205 230 215 303 75 0.999 18.13 -5.3 94 92 92 96 437 49.9 7.819 -0.074 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1188 1793.6 >5 scans 49% TIC 3.1% 0.0205% 1144 1.2 66 7764 0.598% 40883 40883 1189589 0-0 0.813 18.13 -0.4 80 79 76 87 372 7.3 1.226 -0.006 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1084 Shikimic acid 18.1230 1793.9 2.4 scans 31% 204 m/z 2.5% 0.0248% 1144 0.8 52 9839 0.0452% 49434 43665 89915 5-0 4: 204 372 254 357 0.913 18.20 -5.3 88 89 85 91 462 5.7 1.199 -0.074 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1082 Citric acid 18.2450 1802.9 2.9 scans 90% TIC 0.34% 0.597% 1156 1.3 248 72676 1.01% 1189398 1160999 2009173 1-1 0.989 18.32 -5.8 97 95 93 98 465 34.8 1.971 -0.076 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5681 1827.5 4.7 scans 78% TIC 3.4% 0.0626% 1186 1.6 71 7148 0.0683% 124712 124712 135868 0-0 0.982 18.67 -7.8 86 86 84 86 319 14.9 4.433 -0.101 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1076 Pregnane?? 18.7743 1843.3 2.5 scans 97% 345 m/z 0.11% 1.33% 1206 0.9 409 206499 2658210 2623818 1-0 20: 345 73 255 346 147 347 204 191 256 334 133 74 148 419 435 372 75 257 348 239 1.000 18.86 -6.4 100 99 98 99 537 29.3 0.516 -0.084 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1072 Fructose 18.9637 1857.7 2.6 scans 98% 73 m/z 0.020% 9.38% 1224 0.6 1047 1183354 18676347 18661615 1-0 20: 73 217 307 103 147 308 277 218 133 309 189 117 74 205 364 219 104 89 148 191 1.000 19.03 -5.3 100 98 99 99 364 115.3 1.218 -0.069 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN TAB_REP6-N1052 Fructose 19.0847 1866.9 2.8 scans 96% 73 m/z 0.033% 6.58% 1235 0.7 825 735065 13092919 11971320 2-1 20: 73 307 217 103 147 308 218 277 309 364 74 205 133 117 89 262 219 148 189 104 1.000 19.10 -1.5 100 99 100 100 364 92.6 1.264 -0.019 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1068 Galactopyranose 19.2204 1877.3 2.7 scans 89% 204 m/z 0.35% 0.371% 1248 0.8 214 70302 12.0% 739330 739330 23871359 0-0 20: 204 73 191 147 217 205 206 129 192 193 218 74 189 133 117 305 203 148 131 435 0.999 19.32 -7.2 97 95 93 97 435 15.4 0.513 -0.095 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1064 Mannose 19.2993 1883.3 2.7 scans 97% 319 m/z 0.016% 14.5% 1256 0.5 1257 1491907 29020624 27445624 1-1 20: 319 73 205 147 160 320 217 321 103 206 117 229 157 129 74 133 148 189 204 207 0.999 19.45 -11.9 100 99 99 100 319 492.3 15.402 -0.156 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1062 Glucose 19.5287 1900.9 2.8 scans 97% TIC 0.073% 2.78% 1278 0.7 526 337198 5534140 5530162 1-0 0.996 19.66 -10.2 99 98 97 98 319 185.0 12.405 -0.127 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2789 1961.2 2.5 scans 95% 204 m/z 0.23% 0.599% 1349 1.1 271 103468 1193196 1157006 1-1 20: 204 73 191 147 205 217 206 192 129 74 189 218 133 103 148 117 75 193 149 305 0.991 20.41 -10.8 99 98 97 98 217 58.4 4.623 -0.135 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1052 Gluconic acid 2 20.5052 1979.4 2.8 scans 77% 73 m/z 5.3% 0.0394% 1371 1.0 61 4656 0.0592% 78406 56890 117765 0-15 10: 73 292 205 217 319 147 333 305 293 103 0.986 20.60 -7.3 85 85 82 85 613 0.0 0.000 -0.092 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN WTF2-N1038 C16:0 21.1638 2033.8 4.3 scans 78% 313 m/z 11% 0.0268% 1433 1.3 43 2099 0.0294% 53408 53408 58485 0-0 6: 313 117 132 129 314 145 0.980 20.62 45.5 81 89 76 89 328 4.4 1.056 0.547 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6563 2075.1 2.4 scans 99% 305 m/z 0.046% 5.60% 1480 0.7 825 526385 11147637 11072319 1-0 20: 305 73 217 318 147 191 306 319 265 204 218 307 432 129 433 133 320 291 148 367 1.000 21.75 -7.8 100 99 99 100 507 64.3 0.609 -0.093 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8699 2093.1 3.3 scans 96% 73 m/z 0.47% 0.486% 1500 1.1 210 51964 968445 931871 1-2 20: 73 319 205 147 320 103 217 262 321 117 229 206 204 133 74 129 89 218 157 376 0.997 21.93 -5.0 98 97 97 98 656 3.6 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1823 2120.1 2.8 scans 93% TIC 0.41% 0.507% 1530 1.0 223 59366 0.515% 1008605 938722 1024479 1-2 0.991 22.19 -0.4 98 97 94 97 396 98.2 19.330 -0.004 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6779 2163.4 3.0 scans 89% 204 m/z 3.3% 0.0386% 1577 1.1 63 7275 0.0676% 76938 74192 134475 7-0 10: 204 73 205 147 206 117 217 145 361 74 0.997 22.71 -3.1 94 93 92 93 518 0.0 0.000 -0.036 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6561 2344.2 3.2 scans 92% 73 m/z 1.9% 0.146% 1765 0.5 109 12844 291862 278649 1-2 20: 73 331 147 191 217 103 307 205 262 421 319 218 333 305 117 332 422 148 192 423 0.999 24.65 0.6 94 94 92 94 466 6.4 0.343 0.006 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5321 2528.8 2.7 scans 90% 512 m/z 3.5% 0.0640% 1943 1.0 87 6961 0.108% 127378 123658 214842 0-1 20: 512 455 73 513 456 247 57 514 483 457 74 219 349 191 497 263 248 207 484 175 0.999 26.57 -4.3 96 95 85 95 512 32.9 14.180 -0.041 G:\GCMS data\Nicotiana Panel polar\N528_REP6.FIN LQC1-N1014 Sucrose 27.3897 2618.0 3.4 scans 97% TIC 0.0087% 21.9% 2025 0.6 1418 2824736 43624805 41952002 1-2 1.000 27.49 -10.7 100 100 99 100 437 284.8 4.061 -0.100 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN EXBLK5S-N1006 Contamination 6.4730 1054.3 15.5 scans 73% 207 m/z (115) 2.0% 0.104% 36 3.2 73 14315 0.140% 611186 603788 821665 0-4 4: 207 208 295 209 0.960 6.63 -9.0 95 97 89 97 295 23.2 10.025 -0.152 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1194 Alanine 7.2432 1100.0 3.7 scans 85% 116 m/z 1.3% 0.0508% 110 1.0 88 21110 0.0705% 298144 272135 413767 0-7 9: 116 73 117 190 118 86 148 100 133 0.991 7.40 -9.5 96 96 95 96 283 0.0 0.000 -0.161 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN A-KETO~2-N1006 Contamination?? 7.7630 1130.8 3.2 scans 66% 156 m/z 7.4% 0.00975% 160 2.1 42 3972 0.0127% 57259 43098 74537 1-8 4: 156 75 55 125 0.963 7.96 -11.4 89 86 82 97 156 23.4 30.395 -0.194 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1192 Contamination 7.8461 1135.7 3.8 scans 40% TIC 21% 0.00170% 167 0.5 27 1361 0.0158% 10000 10000 92731 0-0 0.889 7.99 -8.5 82 86 69 85 235 6.4 5.530 -0.143 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1188 Contamination 8.3007 1162.6 6.1 scans 80% 281 m/z 5.0% 0.0283% 211 1.9 55 5845 0.0296% 166496 156112 173723 1-2 5: 281 369 282 370 283 0.977 8.41 -6.8 97 97 81 98 369 16.8 9.461 -0.114 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1186 Phosphate 8.4585 1172.0 2.8 scans 68% 241 m/z 3.1% 0.0144% 225 1.6 60 9293 85086 76793 1-5 10: 241 242 256 163 211 133 243 195 135 89 0.960 8.56 -6.0 94 93 85 95 299 0.0 0.000 -0.102 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1184 Valine 9.0846 1209.0 3.2 scans 71% 144 m/z 3.7% 0.0131% 285 1.6 51 7908 0.0189% 77024 62503 110925 5-9 4: 144 73 218 145 0.959 9.19 -6.0 95 95 87 95 218 16.4 10.443 -0.103 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1180 Benzoic acid 9.6601 1242.7 3.5 scans 83% 179 m/z 4.5% 0.0194% 340 2.3 58 6500 0.0226% 113974 107721 132640 1-1 7: 179 105 135 77 180 194 51 0.935 9.76 -5.8 95 96 91 97 194 8.8 2.320 -0.099 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1178 Ethanolamine 9.9463 1259.4 3.7 scans 91% 174 m/z 0.88% 0.0670% 367 1.6 110 33257 0.484% 393244 382865 2840612 4-0 16: 174 73 175 100 86 147 176 133 59 130 262 114 131 74 148 72 1.000 10.03 -5.1 99 98 97 98 262 11.2 1.024 -0.088 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN VEN77_S6-N1002 Glycerol 10.0505 1265.5 2.6 scans 97% 299 m/z 0.016% 2.34% 377 0.6 816 1839239 13755177 13526131 0-4 20: 299 300 314 73 301 133 283 211 315 207 193 147 191 316 302 135 225 205 298 74 1.000 10.09 -2.5 99 98 95 99 299 503.8 38.324 -0.044 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2020 1274.4 2.8 scans 74% 73 m/z 4.4% 0.00830% 391 1.6 48 6576 0.329% 48753 46076 1930912 2-3 6: 73 198 77 211 199 70 0.980 10.24 -2.2 91 91 85 91 381 6.6 1.845 -0.038 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1176 Isoleucine 10.3777 1284.7 >3 scans 76% TIC 4.0% 0.00740% 408 1.7 48 7228 0.194% 43477 42074 1138592 4-0 0.961 10.46 -4.7 95 96 88 95 260 0.0 0.000 -0.081 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1174 Proline 10.4629 1289.6 3.2 scans 85% 142 m/z 0.81% 0.0434% 416 1.6 102 36307 0.153% 255097 254077 897962 2-0 9: 142 73 143 216 144 147 72 74 66 0.999 10.55 -4.8 98 97 97 97 142 70.8 47.726 -0.082 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN TAB_REP6-N1012 Proline 10.4629 1289.6 3.2 scans 84% 142 m/z (180) 0.80% 0.0450% 416 1.6 102 36446 0.159% 264173 263117 933176 2-0 9: 142 73 143 216 144 147 72 74 66 0.995 10.53 -4.2 96 97 96 98 216 19.6 3.687 -0.070 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1172 Maleic acid 10.5461 1294.5 2.8 scans 94% 147 m/z 0.28% 0.148% 424 1.4 197 101812 0.739% 869402 848223 4337215 0-4 20: 147 73 245 148 75 149 83 133 74 246 143 115 84 126 215 170 59 66 61 155 0.998 10.62 -4.6 99 98 98 98 245 45.2 5.249 -0.078 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1170 Glycine 10.6008 1297.7 >3 scans 59% TIC 3.8% 0.00927% 429 1.9 60 7589 0.616% 54441 54441 3615324 0-0 0.928 10.69 -5.1 86 84 78 93 276 9.3 2.379 -0.086 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.6913 1303.1 3.2 scans 95% TIC 0.078% 0.717% 438 1.5 383 376945 4211696 3844390 1-7 0.994 10.76 -4.0 99 97 97 99 251 88.6 5.346 -0.067 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1168 Glyceric acid 11.0112 1322.3 3.1 scans 97% 73 m/z 0.025% 3.72% 468 0.6 953 1159796 21848891 20342282 1-2 20: 73 147 292 189 133 205 103 293 102 190 307 117 148 75 294 74 149 191 59 101 1.000 11.05 -2.6 100 99 99 100 292 307.9 10.454 -0.043 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN TAB_REP6-N1018 Uracil 11.1027 1327.9 4.0 scans 54% 241 m/z 14% 0.00518% 477 2.2 31 2059 30443 30443 0-1 5: 241 99 256 255 242 0.981 11.15 -2.7 91 92 86 94 256 11.7 14.218 -0.045 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1164 Itaconic acid 11.1869 1332.9 2.8 scans 85% TIC 3.3% 0.0152% 485 0.8 61 8709 3.34% 89665 79529 19602568 0-2 0.986 11.25 -4.0 91 90 89 92 259 12.4 4.087 -0.065 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1162 Fumaric acid 11.3300 1341.5 2.9 scans 96% TIC 0.32% 0.161% 498 1.4 202 92083 0.375% 949731 920917 2200887 1-1 0.998 11.39 -3.8 100 100 99 100 245 112.7 31.201 -0.063 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4215 1347.0 3.1 scans 90% 84 m/z 1.1% 0.0574% 507 1.5 119 25454 0.0903% 337345 318395 529974 2-0 20: 84 133 162 161 119 92 55 82 65 118 51 85 78 63 134 130 117 52 83 104 0.996 10.96 28.0 86 84 81 94 161 25.8 4.750 0.466 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1160 Serine 11.4825 1350.7 2.8 scans 93% TIC 0.44% 0.155% 513 1.2 203 66670 0.366% 911231 816793 2148066 0-2 0.999 11.56 -4.5 100 99 98 99 306 20.7 1.035 -0.074 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7056 1364.2 3.5 scans 82% TIC 2.4% 0.0336% 534 1.7 83 11821 0.0392% 197342 186836 230066 0-1 0.960 11.79 -4.7 95 95 93 97 262 10.1 1.487 -0.079 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN TAB_REP6-N1024 Threonine 11.8939 1375.5 2.8 scans 90% 73 m/z 1.3% 0.0584% 552 1.4 126 22182 343221 314543 1-2 20: 73 218 219 291 117 292 101 147 220 57 293 132 75 100 128 74 203 221 133 129 0.993 11.92 -1.6 99 98 98 98 320 11.5 0.833 -0.027 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1148 Glutamine?? 13.2818 1461.8 2.8 scans 94% TIC 0.47% 0.0974% 684 0.9 160 62398 0.125% 572019 543132 733629 0-2 0.992 13.35 -4.1 99 98 97 99 257 11.1 0.477 -0.065 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1146 Malic acid 13.5491 1478.6 3.3 scans 98% 73 m/z 0.025% 3.17% 709 0.4 854 1152714 18644046 18451920 1-0 20: 73 147 233 245 133 189 148 190 75 175 191 55 74 149 101 234 217 59 246 306 0.999 13.62 -4.2 100 99 99 100 350 22.6 0.070 -0.068 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1144 Contamination Parabanica acid 13.7374 1490.5 3.1 scans 54% 115 m/z (245) 8.2% 0.0115% 727 1.3 51 3590 67710 63382 2-1 7: 115 243 100 128 116 244 158 0.960 13.81 -4.3 88 91 81 91 243 21.6 18.036 -0.069 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1140 Aspartic acid 14.0141 1508.3 2.6 scans 57% 232 m/z (156) 0.58% 0.0961% 753 1.2 165 50651 564291 561352 0-1 19: 232 233 218 100 202 234 188 216 117 142 219 292 130 334 235 204 101 220 189 0.964 14.09 -4.8 97 98 96 99 349 9.0 0.296 -0.073 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0288 1509.3 3.0 scans 89% 156 m/z 0.22% 0.212% 755 0.9 235 130243 1248141 1219894 1-1 20: 156 258 157 230 158 259 140 58 66 86 112 55 155 67 85 57 141 228 214 154 0.954 14.03 -0.0 99 99 98 100 258 45.8 3.784 -0.001 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0288 1509.3 3.0 scans 77% 156 m/z (232 305) 0.22% 0.187% 755 0.9 219 130916 1097750 1072906 1-1 20: 156 258 157 230 158 259 140 58 66 86 112 55 155 67 85 57 141 228 214 154 0.988 14.11 -5.4 94 97 96 99 273 9.0 0.169 -0.081 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1134 GABA 14.1825 1519.5 2.8 scans 97% 174 m/z 0.19% 0.314% 769 1.0 290 152739 1846808 1795035 1-1 20: 174 73 304 147 175 305 75 86 176 143 59 306 216 246 100 130 133 74 172 148 1.000 14.24 -3.9 100 98 99 99 304 88.3 9.297 -0.060 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3592 1531.2 2.9 scans 89% TIC 2.2% 0.0407% 786 0.7 90 12958 0.334% 239207 186411 1960257 8-1 0.999 14.62 -17.4 96 95 93 96 409 6.0 0.453 -0.262 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6402 1549.8 3.1 scans 98% 73 m/z 0.018% 5.04% 813 0.5 1117 1604018 29587594 29547637 1-0 20: 73 292 147 220 205 293 217 117 103 221 294 148 133 319 74 291 149 206 102 75 1.000 14.69 -3.4 100 100 100 100 409 91.2 0.668 -0.052 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1126 Pyrazine 15.0716 1578.4 2.8 scans 78% 73 m/z 6.8% 0.00950% 854 1.1 53 4323 55801 52910 1-1 8: 73 227 344 301 154 345 147 228 0.935 15.13 -4.0 82 78 68 93 344 15.1 8.039 -0.060 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3830 1599.1 2.8 scans 80% 217 m/z 0.94% 0.0326% 884 1.3 105 31255 0.0564% 191394 191394 331013 0-0 14: 217 73 218 219 147 215 230 189 129 103 133 149 305 333 0.972 15.44 -3.9 96 96 94 96 393 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN TAB_REP6-N1036 Glutamic acic 15.5019 1607.3 2.4 scans 76% TIC 5.9% 0.00737% 895 0.7 49 4947 0.0666% 43257 43257 390878 0-0 0.978 15.50 -0.1 97 96 95 99 363 4.5 0.861 -0.001 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1118 Phenylalanine 15.6019 1614.2 2.9 scans 48% 218 m/z 4.7% 0.00979% 904 1.4 50 6209 0.00989% 57504 54784 58045 1-0 6: 218 192 204 219 266 91 0.777 15.66 -4.0 88 91 64 91 294 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN TAB_REP6-N1038 Xylose 15.8923 1634.4 3.5 scans 76% 217 m/z 3.2% 0.0267% 932 1.4 78 9184 0.120% 157257 157165 704284 1-0 9: 217 73 307 103 218 308 189 219 74 0.989 15.89 0.2 88 85 84 96 307 20.8 7.143 0.002 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN TAB_REP6-N1040 Xylose 16.0091 1642.5 2.6 scans 92% 73 m/z 0.71% 0.0897% 943 1.1 166 41008 0.132% 526972 482747 774712 2-1 20: 73 103 307 217 147 308 160 189 277 218 133 74 309 205 204 104 117 89 105 75 0.999 16.00 0.4 96 94 96 98 307 47.5 8.215 0.005 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN TAB_REP6-N1042 Ribose 16.1059 1649.2 2.8 scans 84% 73 m/z 2.5% 0.0231% 952 0.9 82 11382 0.142% 135751 135684 833403 1-0 14: 73 307 103 217 147 308 277 189 218 133 74 117 104 204 0.991 16.10 0.2 96 95 93 97 307 25.9 9.869 0.003 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6183 1684.8 2.7 scans 81% TIC 4.6% 0.0157% 1001 1.6 68 6350 0.0317% 92644 92644 186048 0-0 0.977 16.68 -4.0 96 96 89 96 497 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9319 1706.9 2.8 scans 82% 73 m/z 1.4% 0.0459% 1031 1.1 119 20357 0.148% 269632 269632 868617 0-0 20: 73 318 246 147 319 205 217 103 307 247 320 218 148 206 133 230 129 74 317 243 0.966 16.99 -4.2 81 81 85 81 422 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN TAB_REP6-N1044 Putrescine 17.1918 1725.9 5.4 scans 84% TIC 0.79% 0.0501% 1055 1.3 113 37243 0.111% 294563 293660 651463 2-0 0.991 17.19 0.3 99 99 97 99 376 8.8 0.605 0.004 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3812 1739.7 3.2 scans 82% TIC 3.0% 0.0267% 1073 1.7 83 9574 0.357% 157145 157145 2095245 0-0 0.974 17.44 -4.6 95 95 92 95 511 6.1 0.543 -0.062 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5674 1753.3 2.8 scans 95% TIC 0.16% 0.293% 1091 1.0 285 177183 0.380% 1722443 1666530 2230232 4-0 1.000 17.63 -4.7 94 92 94 95 450 27.3 0.916 -0.065 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7031 1763.2 2.9 scans 47% 334 m/z (217) 3.9% 0.0416% 1104 1.1 97 7397 0.0526% 244729 208696 308711 2-6 11: 334 204 256 335 255 167 336 151 211 184 67 0.955 17.70 0.3 85 88 79 89 375 13.1 1.817 0.004 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1086 Fructofuranose 18.0703 1790.0 3.0 scans 89% 217 m/z 0.16% 0.487% 1139 1.3 352 183898 0.912% 2864031 2547868 5352558 1-0 18: 217 73 437 147 438 218 439 257 219 74 103 129 230 133 215 303 319 148 0.987 18.13 -4.6 96 94 96 97 437 104.4 8.790 -0.064 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1084 Shikimic acid 18.1335 1794.6 2.9 scans 23% 204 m/z (333) 1.1% 0.0282% 1145 0.8 77 24845 0.0394% 165655 139814 231240 4-2 10: 204 357 372 255 254 462 282 167 256 447 0.952 18.20 -4.6 87 89 86 90 462 9.8 1.601 -0.064 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1082 Citric acid 18.2503 1803.3 3.1 scans 85% TIC 0.44% 0.178% 1156 1.4 216 66692 1.07% 1045889 1044021 6279865 0-1 0.957 18.32 -5.4 90 86 83 96 465 27.1 1.572 -0.071 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5996 1829.9 5.2 scans 92% 217 m/z 0.39% 0.297% 1189 0.9 219 75421 0.301% 1744529 1711973 1766579 1-2 20: 217 73 147 191 204 219 189 305 320 192 148 190 149 317 206 347 321 101 143 331 0.997 18.67 -5.4 95 93 93 96 319 36.3 2.743 -0.069 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1076 Pregnane?? 18.8016 1845.4 3.6 scans 96% TIC 0.020% 4.27% 1208 0.8 945 1453103 25073886 23425848 1-2 1.000 18.86 -4.3 100 100 99 100 537 76.4 0.657 -0.056 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1074 Adenine 18.8932 1852.3 3.3 scans 16% 264 m/z 8.6% 0.00299% 1217 1.2 26 3418 0.0373% 17580 17580 218915 0-0 1: 264 0.938 18.94 -3.6 84 87 73 90 415 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1072 Fructose 18.9879 1859.6 7.0 scans 97% 73 m/z 0.020% 10.1% 1226 1.5 1108 1426728 59361851 58367481 1-0 20: 73 307 217 103 147 308 277 218 133 309 364 189 205 74 117 219 104 148 89 75 1.000 19.03 -3.4 100 98 99 100 364 128.7 1.353 -0.045 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN TAB_REP6-N1050 Fructose 19.0142 1861.6 >3 scans 94% 333 m/z 0.026% 3.74% 1229 2.3 967 1113985 9.27% 21988740 21988740 54405930 0-0 20: 333 142 302 143 306 244 555 130 200 174 177 318 265 222 300 150 367 88 208 245 1.000 18.98 2.6 100 99 100 99 364 112.3 1.355 0.034 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN TAB_REP6-N1052 Fructose 19.1509 1872.0 7.2 scans 96% 73 m/z 0.028% 7.18% 1242 0.4 948 1050557 34.7% 42191511 41824432 203655424 0-3 20: 73 307 217 103 147 308 218 277 309 364 205 133 74 262 117 89 219 189 148 104 1.000 19.10 3.6 100 99 100 100 364 109.9 1.349 0.047 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1068 Galactopyranose 19.2488 1879.5 >4 scans 93% TIC 0.038% 1.63% 1251 1.0 637 758292 43.7% 9595530 9595530 256476715 0-0 1.000 19.32 -5.0 98 96 95 99 435 47.6 0.561 -0.066 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1064 Mannose 19.3656 1888.4 10.7 scans 95% 320 m/z 0.012% 25.3% 1262 0.9 1410 2301522 25.6% 148918040 143686676 150247229 1-1 12: 320 277 305 208 186 279 155 150 358 264 421 449 0.995 19.45 -6.8 100 99 97 99 319 563.5 16.022 -0.089 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1066 Glucose 19.3698 1888.7 10.6 scans 55% 319 m/z (204) 0.012% 9.32% 1262 0.2 1077 2314061 15.8% 54715778 54715778 92730712 0-0 12: 319 205 217 71 322 218 274 114 186 264 449 66 0.860 19.40 -2.2 90 94 52 94 319 565.1 27.643 -0.029 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1062 Glucose 19.6013 1906.7 3.7 scans 97% TIC 0.016% 7.44% 1284 0.3 1243 1775574 43689373 43379698 3-0 0.994 19.66 -4.4 100 99 99 100 319 495.0 15.928 -0.055 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN TAB_REP6-N1059 Glucose 19.6023 1906.8 3.6 scans 98% 319 m/z (174) 0.016% 7.50% 1285 0.4 1246 1742331 44035771 43579191 2-0 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 129 74 157 204 189 148 207 0.998 19.55 4.1 98 99 99 100 376 53.3 0.184 0.050 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN N406_R~2-N1016 Galacturonic acid 19.7917 1922.0 2.7 scans 44% 333 m/z 5.0% 0.0100% 1303 1.0 55 5881 0.0186% 58855 58845 109164 1-0 5: 333 160 334 335 364 0.884 19.79 -0.1 89 88 59 94 423 6.6 1.438 -0.001 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7928 1922.1 6.9 scans 53% TIC 4.9% 0.00824% 1303 1.5 60 5958 0.0419% 48375 48375 245912 0-0 0.919 19.79 -0.1 87 89 75 88 333 28.7 22.801 -0.001 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.3178 1964.3 2.8 scans 98% 204 m/z 0.016% 3.68% 1353 0.6 991 1785107 21644035 21322291 0-1 20: 204 73 191 147 217 205 206 192 129 218 189 133 74 193 103 75 148 305 203 117 1.000 20.41 -7.7 100 98 99 99 217 217.5 4.851 -0.096 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1052 Gluconic acid 2 20.5335 1981.6 2.5 scans 94% 73 m/z 0.23% 0.318% 1373 1.0 325 126833 0.390% 1866722 1856377 2288923 0-2 20: 73 292 147 319 205 217 305 333 293 103 320 433 74 307 189 435 277 294 306 359 0.999 20.60 -5.1 97 96 98 96 613 9.5 0.085 -0.063 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6688 2076.2 2.6 scans 98% 305 m/z 0.036% 2.92% 1481 0.7 936 800997 17166767 16988427 1-0 20: 305 73 217 318 147 191 306 319 265 204 218 307 432 433 320 133 129 367 291 148 0.999 21.75 -6.7 100 99 99 100 507 76.6 0.672 -0.080 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8677 2092.9 3.1 scans 94% 319 m/z 0.60% 0.160% 1500 1.0 197 49124 942880 876485 1-2 20: 319 73 205 147 320 217 103 321 262 206 204 117 74 229 148 129 263 218 291 149 0.998 21.93 -5.2 97 96 96 98 656 2.2 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1939 2121.1 2.6 scans 74% 396 m/z 1.3% 0.0518% 1531 1.0 127 21739 0.0616% 304501 288513 361532 1-1 19: 396 219 73 397 381 398 220 191 307 249 382 293 308 74 399 233 221 192 72 0.854 22.19 0.6 98 99 94 99 396 54.8 18.474 0.008 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1032 trans-Caffeic acid 22.1960 2121.3 2.7 scans 88% TIC 1.3% 0.0607% 1531 1.1 138 21766 0.104% 356482 356482 610379 0-0 0.969 22.25 -4.7 92 91 84 92 396 54.8 15.698 -0.054 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6737 2163.0 3.6 scans 86% 204 m/z 3.8% 0.0160% 1576 1.6 58 7653 0.0294% 94069 88845 172550 2-0 9: 204 73 205 206 217 249 147 131 117 0.982 22.71 -3.5 94 94 91 94 518 0.0 0.000 -0.040 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.1630 2206.0 2.6 scans 96% TIC 0.43% 0.244% 1623 0.9 272 68256 1432392 1407429 1-0 1.000 23.28 -10.8 89 85 69 94 450 12.5 0.211 -0.118 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1028 Glycerolgalactose 24.1310 2294.5 2.9 scans 86% 204 m/z 3.6% 0.0165% 1715 2.1 61 8068 97421 92946 0-2 9: 204 73 217 147 337 205 103 206 129 0.974 24.01 11.0 92 92 87 92 490 0.0 0.000 0.121 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6581 2344.4 3.0 scans 91% 73 m/z 2.0% 0.0568% 1765 0.5 110 14399 333759 309217 2-2 20: 73 191 331 147 217 205 421 307 262 332 103 319 259 305 74 376 133 422 333 117 0.999 24.65 0.8 95 95 93 95 466 7.6 0.479 0.008 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7528 2353.4 2.5 scans 80% TIC 9.3% 0.00726% 1774 1.8 47 3145 0.00989% 42649 40725 58045 0-6 0.964 24.81 -5.0 80 81 76 81 451 5.1 1.186 -0.052 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5342 2529.1 2.7 scans 63% 512 m/z 7.0% 0.0100% 1943 1.2 53 4171 58869 58869 0-1 11: 512 455 513 247 456 483 514 219 57 349 248 0.828 26.57 -4.0 92 92 59 92 512 24.0 20.697 -0.039 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN LQC1-N1014 Sucrose 27.3991 2619.0 3.7 scans 97% TIC 0.0099% 8.60% 2026 0.4 1337 2972763 50478083 48838844 1-1 0.999 27.49 -9.7 100 100 99 100 437 268.7 4.066 -0.091 G:\GCMS data\Nicotiana Panel polar\N6_REP1.FIN GUA35_L1-N1020 Galactinol 30.6662 2986.7 3.9 scans 93% 204 m/z 2.2% 0.0305% 2336 1.5 77 13071 179581 178753 0-2 14: 204 205 73 191 147 103 433 305 230 129 306 319 148 265 0.989 30.55 14.3 83 82 88 83 641 0.0 0.000 0.121 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN EXBLK5S-N1006 Contamination 6.5899 1061.2 6.4 scans 61% TIC 1.8% 0.0138% 48 2.5 77 15511 0.0912% 143737 143737 947827 0-0 0.975 6.63 -2.1 96 96 89 97 295 23.3 9.171 -0.035 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1194 Alanine 7.3822 1108.2 6.4 scans 60% 116 m/z 2.7% 0.0142% 123 0.4 56 10797 0.0175% 148173 138978 181875 0-8 1: 116 0.964 7.40 -1.3 92 92 88 92 283 0.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN A-KETO~2-N1006 Contamination?? 7.8799 1137.7 2.9 scans 75% 156 m/z 3.2% 0.00908% 170 1.3 64 9153 0.0113% 94429 91323 117439 1-1 7: 156 75 55 157 54 61 76 0.976 7.96 -4.5 98 98 94 98 156 35.2 30.106 -0.077 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1192 Contamination 7.9630 1142.6 2.8 scans 72% 147 m/z 4.0% 0.00857% 178 1.2 69 7189 0.0154% 89162 88910 160050 1-0 15: 147 73 133 220 235 146 152 148 86 72 59 160 89 74 100 0.972 7.99 -1.6 96 97 91 96 235 13.5 3.864 -0.026 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1188 Contamination 8.3734 1166.9 4.2 scans 86% TIC 1.9% 0.0255% 217 1.3 90 14847 0.0465% 265592 233313 483267 8-0 0.996 8.41 -2.5 99 98 84 99 369 25.8 8.287 -0.042 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1190 Contamination 8.4586 1172.0 2.9 scans 66% 73 m/z 4.1% 0.00724% 225 1.4 59 7076 0.0169% 75269 75269 175639 0-0 10: 73 211 198 140 77 70 69 186 126 215 0.954 8.48 -1.5 92 93 88 93 309 6.1 1.059 -0.025 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1186 Phosphate 8.5259 1176.0 2.4 scans 68% 241 m/z 1.9% 0.00844% 232 1.1 69 14731 0.00906% 87801 86206 94159 1-2 9: 241 242 211 163 256 133 243 195 135 0.877 8.56 -2.0 97 96 85 98 299 0.0 0.000 -0.035 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1184 Valine 9.1499 1212.8 3.3 scans 81% TIC 1.9% 0.0128% 291 1.1 72 14779 0.0202% 133080 118877 209935 1-1 0.980 9.19 -2.2 97 97 93 97 218 23.0 10.204 -0.038 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1180 Benzoic acid 9.7191 1246.1 3.0 scans 72% 179 m/z 4.6% 0.00788% 345 1.5 55 6345 81906 78404 3-3 7: 179 105 135 77 194 180 136 0.927 9.76 -2.4 96 95 90 98 194 8.8 2.569 -0.040 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1178 Ethanolamine 9.9895 1261.9 3.4 scans 89% 174 m/z 0.66% 0.0427% 371 1.1 125 43820 0.306% 444686 388611 3180209 3-0 19: 174 73 175 86 147 100 176 59 133 130 262 172 74 131 101 114 148 72 177 0.995 10.03 -2.6 99 99 98 99 262 13.4 1.147 -0.044 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN VEN77_S6-N1002 Glycerol 10.0821 1267.4 2.8 scans 97% 299 m/z 0.013% 1.57% 380 0.7 864 2138910 16334674 16325904 0-1 20: 299 300 314 73 301 133 283 315 211 207 147 193 191 316 302 135 225 298 74 284 0.992 10.09 -0.6 100 99 96 99 299 537.4 38.929 -0.012 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2410 1276.7 2.4 scans 91% 73 m/z 0.62% 0.0356% 395 1.0 140 46831 370550 340291 1-2 20: 73 198 77 211 70 199 74 239 381 289 212 200 72 75 143 63 261 170 189 92 0.996 10.24 0.1 99 99 97 99 381 16.1 1.320 0.001 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1176 Isoleucine 10.4188 1287.1 3.0 scans 87% TIC 1.2% 0.0184% 412 1.5 91 23183 0.0651% 191865 191865 676574 0-0 0.998 10.46 -2.3 99 98 96 99 260 6.9 0.583 -0.040 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1012 Proline 10.5040 1292.0 3.1 scans 87% TIC 0.43% 0.0386% 420 0.6 138 67560 1.21% 402184 402184 12575335 0-0 0.990 10.53 -1.8 99 98 98 99 216 27.0 3.862 -0.029 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1174 Proline 10.5040 1292.0 2.9 scans 87% 142 m/z 0.42% 0.0388% 420 1.1 137 68354 0.301% 403690 389907 3128245 2-0 12: 142 73 143 216 144 72 74 217 59 70 68 140 0.992 10.55 -2.4 99 98 97 99 142 96.1 48.995 -0.041 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1172 Maleic acid 10.5882 1297.0 2.8 scans 96% 147 m/z 0.10% 0.232% 428 0.9 329 285330 1.05% 2415671 2264609 10912481 1-6 20: 147 73 245 148 75 149 83 133 74 115 246 143 59 126 170 84 58 66 247 215 0.998 10.62 -2.1 99 98 98 99 245 74.8 5.182 -0.036 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1170 Glycine 10.6408 1300.1 >3 scans 53% TIC 3.5% 0.00364% 433 1.7 63 8321 0.753% 37927 37927 7825808 0-0 0.964 10.69 -2.7 82 80 79 88 276 10.3 2.696 -0.046 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7366 1305.8 2.9 scans 97% TIC 0.024% 1.01% 442 0.8 662 1178252 10563502 10265513 1-2 0.994 10.76 -1.3 99 97 96 99 251 157.3 5.668 -0.021 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1168 Glyceric acid 11.0512 1324.8 4.0 scans 98% 73 m/z 0.016% 4.02% 472 0.4 1172 1759804 41875225 41740684 2-0 20: 73 147 292 189 205 133 103 293 102 117 307 148 190 75 74 294 149 191 59 101 1.000 11.05 -0.1 100 99 99 100 292 380.7 10.572 -0.003 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1018 Uracil 11.1375 1330.0 2.9 scans 60% 241 m/z 9.1% 0.00382% 480 1.5 40 3213 39786 37292 1-1 5: 241 256 255 99 242 0.931 11.15 -0.6 92 92 93 96 256 14.8 13.655 -0.011 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1164 Itaconic acid 11.2195 1334.9 2.7 scans 81% TIC 2.9% 0.00905% 488 0.6 64 9903 3.39% 94136 83897 35231724 0-3 0.985 11.25 -2.0 90 88 88 93 259 13.3 4.299 -0.032 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1162 Fumaric acid 11.3595 1343.3 2.5 scans 96% 245 m/z 0.12% 0.190% 501 1.0 315 233686 1981464 1907711 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 84 155 74 53 59 157 61 58 1.000 11.39 -2.0 100 99 99 100 245 177.6 31.877 -0.034 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4542 1349.0 3.1 scans 19% 57 m/z (84) 1.6% 0.0201% 510 1.4 90 17759 209562 195312 2-2 11: 57 97 145 115 69 127 129 111 109 128 71 0.833 11.45 0.5 83 83 84 98 145 25.6 8.038 0.008 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4636 1349.6 2.9 scans 86% 84 m/z 0.25% 0.109% 511 1.3 221 115602 1140850 1102595 1-2 19: 84 133 162 161 119 92 82 118 65 51 85 63 78 130 134 55 91 104 106 0.925 10.96 30.6 94 95 96 98 161 53.0 5.753 0.508 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1020 Serine 11.5026 1351.9 >3 scans 89% TIC 0.58% 0.0700% 515 1.2 174 50305 0.350% 727782 687137 3637494 0-2 0.998 11.51 -0.7 99 98 98 99 306 18.1 1.076 -0.010 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN BRA4_R~2-N1008 Thymine 11.5910 1357.3 3.1 scans 45% 255 m/z 14% 0.00140% 523 1.5 25 2095 14625 14625 0-0 3: 255 256 270 0.838 11.58 0.5 94 96 78 97 270 8.4 11.590 0.007 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7288 1365.6 3.3 scans 74% 147 m/z 3.6% 0.0120% 536 0.8 68 8035 0.0133% 125596 109805 138225 0-3 11: 147 73 247 101 116 59 148 103 131 217 262 0.973 11.79 -3.3 83 78 87 95 262 7.6 1.271 -0.056 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1024 Threonine 11.9119 1376.6 2.6 scans 89% TIC 1.2% 0.0337% 554 1.2 126 22991 351256 317011 5-2 0.984 11.92 -0.5 99 99 98 99 320 12.1 0.923 -0.009 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1148 Glutamine?? 13.2966 1462.7 3.1 scans 91% TIC 0.41% 0.0670% 685 0.8 169 69952 0.0768% 696675 677318 798170 2-2 0.988 13.35 -3.2 99 98 98 99 257 13.8 0.663 -0.050 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1146 Malic acid 13.5944 1481.4 5.2 scans 99% 147 m/z 0.013% 5.41% 714 0.2 1203 2234231 56232775 56221425 1-0 20: 147 73 233 245 335 133 189 190 148 175 191 234 149 307 217 265 101 306 246 171 0.999 13.62 -1.4 100 100 100 100 350 33.2 0.076 -0.023 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1144 Contamination Parabanica acid 13.7532 1491.5 >7 scans 53% TIC 5.8% 0.00323% 729 1.0 58 5004 2.98% 33575 33575 30970660 0-0 0.963 13.81 -3.3 91 92 75 92 243 24.9 18.623 -0.053 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1140 Aspartic acid 14.0237 1508.9 2.6 scans 67% 232 m/z (156) 0.40% 0.0753% 754 1.2 193 72626 782639 780591 0-1 19: 232 233 100 218 234 202 188 216 219 117 130 204 292 101 349 220 203 189 172 0.988 14.09 -4.2 97 99 97 99 349 11.5 0.356 -0.063 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0479 1510.5 3.2 scans 92% 156 m/z 0.14% 0.180% 757 0.7 274 197987 1877139 1857226 0-1 19: 156 157 258 147 230 158 259 260 231 148 140 72 58 121 112 86 155 55 214 0.980 14.11 -4.2 99 98 98 99 273 11.0 0.163 -0.062 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1032 GABA 14.1910 1520.0 2.8 scans 92% 174 m/z 0.32% 0.106% 770 1.3 221 90942 0.125% 1106553 1039764 1299105 3-7 20: 174 304 73 147 175 305 86 176 75 216 59 246 143 100 306 172 133 130 148 74 0.996 14.19 0.2 100 99 99 99 304 68.6 9.622 0.003 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3635 1531.5 2.9 scans 84% TIC 1.2% 0.0434% 787 0.5 120 24018 0.147% 451078 363807 1527747 4-1 0.976 14.62 -17.1 98 97 94 97 409 9.9 0.679 -0.257 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6402 1549.8 2.9 scans 99% 73 m/z 0.018% 2.57% 813 0.5 1087 1567366 26768410 26748772 1-0 20: 73 292 147 220 205 217 293 117 103 294 221 148 74 319 133 291 149 102 75 206 1.000 14.69 -3.4 100 100 100 100 409 85.5 0.619 -0.052 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1126 Pyrazine 15.0790 1578.9 2.8 scans 78% 227 m/z 3.6% 0.0130% 855 1.0 79 8138 135339 131749 1-1 10: 227 344 301 228 345 154 139 126 211 303 0.956 15.13 -3.5 91 90 83 96 344 24.3 9.401 -0.053 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3873 1599.4 2.9 scans 75% 217 m/z 0.82% 0.0193% 884 1.2 109 35629 0.0352% 201113 201113 365828 0-0 12: 217 73 218 219 215 103 230 189 133 129 333 305 0.984 15.44 -3.6 96 95 94 96 393 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1120 Glutamic acid 15.5041 1607.4 2.5 scans 76% TIC 2.9% 0.00851% 895 0.8 69 9991 0.0480% 88494 82327 498856 0-1 0.967 15.56 -3.9 95 95 86 94 363 6.9 1.012 -0.056 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1036 Glutamic acic 15.5052 1607.5 2.5 scans 74% 246 m/z 3.0% 0.00831% 895 1.1 67 9621 86377 84237 0-1 10: 246 128 247 147 156 348 248 84 100 56 0.968 15.50 0.1 95 93 92 100 363 6.9 1.046 0.002 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1118 Phenylalanine 15.6093 1614.7 >3 scans 86% TIC 2.2% 0.0172% 905 0.8 91 12954 0.0471% 179228 173095 489503 1-0 0.977 15.66 -3.5 94 92 91 98 294 6.9 0.568 -0.050 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1038 Xylose 15.8945 1634.5 3.4 scans 74% 217 m/z 1.8% 0.0239% 932 1.8 90 15534 248716 248716 0-0 12: 217 103 307 189 308 218 160 219 277 309 89 233 0.881 15.89 0.3 91 90 82 97 307 24.2 7.150 0.004 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1040 Xylose 16.0113 1642.7 2.8 scans 93% 73 m/z 0.46% 0.0890% 943 1.3 205 63729 925760 886763 1-1 20: 73 103 307 217 147 308 218 189 160 277 309 74 133 219 105 117 205 104 75 148 0.994 16.00 0.6 95 92 95 98 307 58.5 8.115 0.007 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1042 Ribose 16.1091 1649.5 2.9 scans 89% TIC 1.2% 0.0327% 953 1.2 122 23037 0.142% 340432 340432 1475783 0-0 0.993 16.10 0.5 95 93 95 98 307 36.4 8.844 0.006 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.2270 1657.6 3.8 scans 46% TIC 6.1% 0.00163% 964 0.7 38 4787 0.0779% 17016 17016 809602 0-0 0.882 16.28 -3.5 88 86 72 94 392 5.0 1.685 -0.049 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6205 1685.0 2.9 scans 85% TIC 1.9% 0.0228% 1001 1.7 104 14674 0.0330% 237092 236069 342964 1-0 0.990 16.68 -3.8 98 98 95 98 497 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1104 Rhamnose 16.8783 1703.0 3.3 scans 67% TIC 4.0% 0.00743% 1026 1.0 62 7320 0.0571% 77246 76082 593431 2-0 0.957 16.93 -3.9 81 81 84 85 392 8.6 1.921 -0.054 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9403 1707.5 4.2 scans 71% TIC 2.5% 0.0182% 1032 1.5 90 11408 0.180% 189422 189422 1870711 0-0 0.964 16.99 -3.6 91 92 90 92 422 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0045 1712.2 4.0 scans 76% 73 m/z (133) 1.8% 0.0321% 1038 1.3 102 16108 0.167% 334081 334081 1735604 0-0 14: 73 217 307 319 147 205 103 218 277 320 189 308 204 129 0.990 17.06 -4.3 85 86 85 86 510 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1044 Putrescine 17.1939 1726.1 3.1 scans 84% 174 m/z (147) 0.38% 0.0616% 1056 1.3 163 75406 640656 639980 0-1 20: 174 175 214 176 200 86 172 59 361 100 130 215 146 142 173 187 114 99 362 116 0.994 17.19 0.5 96 96 96 99 376 12.4 0.578 0.006 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1096 Putrescine 17.1939 1726.1 3.1 scans 69% 174 m/z 0.38% 0.0507% 1056 1.3 148 75508 527044 526488 0-1 20: 174 175 214 176 200 86 172 59 361 100 130 215 146 142 173 187 114 99 362 116 0.911 17.25 -3.9 98 96 94 99 458 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3886 1740.3 4.0 scans 76% TIC 2.0% 0.0224% 1074 1.4 99 14341 0.0739% 233095 233095 768031 0-0 0.975 17.44 -4.0 96 96 93 96 511 6.3 0.408 -0.054 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5759 1753.9 2.9 scans 96% 217 m/z 0.065% 0.420% 1092 0.9 443 445155 4369718 4197134 2-1 20: 217 73 218 147 219 75 230 74 189 133 129 215 244 103 450 130 231 148 220 149 1.000 17.63 -4.1 91 89 94 93 450 36.4 0.675 -0.056 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7116 1763.8 3.3 scans 39% 334 m/z (217) 3.3% 0.0287% 1105 1.1 100 8823 0.0507% 299125 272498 526917 4-2 11: 334 204 256 335 255 183 375 336 267 151 67 0.929 17.70 0.9 87 90 75 90 375 15.3 2.314 0.013 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1086 Fructofuranose 18.0746 1790.3 3.8 scans 69% 217 m/z 0.55% 0.0952% 1139 1.3 184 52744 0.194% 989468 981731 2016211 0-1 14: 217 437 438 218 439 257 215 230 347 440 258 441 169 142 0.926 18.13 -4.3 97 97 92 97 437 57.0 9.624 -0.059 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1084 Shikimic acid 18.1419 1795.3 3.7 scans 24% 204 m/z 0.77% 0.0272% 1146 0.8 97 37738 0.0330% 282838 258947 342964 3-3 14: 204 357 255 254 372 331 462 447 283 358 356 359 282 181 0.824 18.20 -3.9 93 96 83 95 462 11.0 1.274 -0.055 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1082 Citric acid 18.2566 1803.8 3.6 scans 88% TIC 0.31% 0.178% 1157 1.3 264 91751 0.554% 1855332 1854455 5757633 0-1 0.976 18.32 -4.9 97 96 92 99 465 38.9 2.175 -0.064 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1076 Pregnane?? 18.8090 1845.9 5.2 scans 96% 345 m/z 0.018% 3.73% 1209 1.2 973 1557070 38786125 36448533 1-1 20: 345 73 346 255 147 347 334 256 191 204 435 419 372 133 257 348 148 239 74 537 0.998 18.86 -3.8 100 100 99 100 537 77.7 0.641 -0.049 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1072 Fructose 19.0237 1862.3 11.2 scans 95% 73 m/z 0.014% 13.9% 1230 1.1 1355 2082730 23.4% 144879565 137646881 243192431 1-0 20: 73 307 217 103 147 308 218 277 133 309 189 205 74 104 117 219 172 148 191 89 1.000 19.03 -0.7 100 98 99 99 364 158.9 1.381 -0.009 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1070 Fructose 19.0658 1865.5 >3 scans 54% 309 m/z (72) 0.027% 1.90% 1234 1.0 943 1066074 16.7% 19749348 19749348 173560410 0-0 20: 309 117 148 191 89 129 291 310 279 190 334 134 333 288 262 175 350 244 235 318 0.963 19.19 -9.8 90 92 85 92 554 44.0 0.219 -0.128 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1052 Fructose 19.1489 1871.8 9.7 scans 95% 73 m/z 0.017% 9.67% 1241 2.0 1231 1653233 23.2% 100563623 99763988 241113863 0-1 20: 73 307 217 103 147 308 218 277 309 364 262 74 205 219 104 133 189 117 148 89 1.000 19.10 3.4 100 99 99 99 364 149.8 1.484 0.045 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1068 Galactopyranose 19.2615 1880.4 >2 scans 31% 204 m/z 0.34% 0.0223% 1252 1.0 182 84119 7.60% 232452 232452 78985576 0-0 17: 204 191 73 205 192 147 206 193 435 317 129 306 393 436 243 361 437 0.959 19.32 -4.1 93 95 89 95 435 15.8 0.747 -0.054 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1056 Glucose 19.3593 1887.9 10.8 scans 68% 204 m/z 0.016% 6.07% 1261 1.2 1140 1729011 13.0% 63169624 63169624 135106906 0-0 16: 204 191 466 365 464 448 209 263 389 309 192 324 193 336 144 393 0.997 19.33 2.1 100 99 98 99 364 84.6 0.553 0.027 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1064 Mannose 19.3772 1889.3 14.5 scans 99% 320 m/z 0.012% 20.1% 1263 1.6 1443 2365616 209074182 205480916 1-1 20: 320 207 305 291 231 277 365 308 376 234 233 343 256 244 366 223 331 344 254 465 0.984 19.45 -5.9 100 99 97 99 319 565.2 15.395 -0.078 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1066 Glucose 19.3772 1889.3 14.5 scans 33% 320 m/z (73) 0.012% 6.90% 1263 1.6 839 2388575 71812135 70577931 1-1 20: 320 207 305 291 231 277 365 308 376 234 233 343 256 244 366 223 331 344 254 465 0.791 19.40 -1.6 82 86 44 86 319 567.9 46.113 -0.022 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN BRA4_R~2-N1004 Galactose 19.4656 1896.0 >2 scans 58% 73 m/z (291) 0.022% 1.88% 1272 2.3 1094 1287312 12.2% 19617964 19248098 126792635 0-1 20: 73 319 205 147 160 217 103 117 74 133 129 157 206 229 75 89 148 189 161 59 0.839 19.36 7.9 83 90 64 86 364 0.0 0.000 0.105 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1062 Glucose 19.6392 1909.7 4.8 scans 100% 323 m/z 0.012% 7.07% 1288 0.3 1445 2410592 73557822 72937573 3-0 19: 323 192 237 480 260 448 280 405 284 294 256 465 324 271 155 391 136 406 380 1.000 19.66 -1.4 100 98 99 100 319 570.5 15.653 -0.017 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7992 1922.6 2.6 scans 50% 333 m/z 2.1% 0.0152% 1303 1.2 90 13675 0.0268% 158548 156445 278528 0-2 8: 333 334 160 335 364 423 314 274 0.973 19.79 0.4 91 90 82 92 333 43.0 22.616 0.005 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN BRA4_R~2-N1010 Tyrosine 19.8549 1927.1 4.0 scans 23% 218 m/z 2.9% 0.00739% 1309 0.9 49 9998 76871 70373 6-1 4: 218 280 100 281 0.924 19.82 3.0 81 82 57 84 382 6.5 1.742 0.037 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1056 Ascorbic acid 19.9349 1933.5 2.6 scans 36% 332 m/z 5.2% 0.00655% 1316 0.9 60 5590 0.00967% 68107 68107 100499 0-0 3: 332 334 374 0.858 19.99 -4.2 84 85 75 89 449 7.3 1.468 -0.051 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.3053 1963.3 2.6 scans 96% 204 m/z 0.052% 0.632% 1351 1.0 565 564089 6576753 6480501 1-0 20: 204 73 191 147 205 217 206 192 218 189 129 133 74 193 75 148 117 305 435 291 0.981 20.41 -8.7 99 98 98 99 217 125.9 4.982 -0.109 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1052 Gluconic acid 2 20.5315 1981.5 2.6 scans 94% TIC 0.21% 0.227% 1373 0.9 335 137969 0.268% 2359669 2197697 2785281 0-4 0.999 20.60 -5.2 96 95 98 96 613 10.1 0.090 -0.066 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN WTF2-N1038 C16:0 21.1544 2033.0 2.8 scans 84% 313 m/z 2.6% 0.0187% 1432 1.2 95 11160 195166 181590 1-7 16: 313 117 75 132 129 145 314 55 57 118 315 328 69 131 285 74 0.987 20.62 44.7 84 88 89 95 328 10.4 1.205 0.537 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6826 2077.4 3.1 scans 98% 305 m/z 0.022% 3.14% 1482 0.5 1158 1301591 32692282 31876692 1-1 20: 305 217 73 318 147 191 306 319 265 204 307 432 218 433 320 367 129 133 291 148 0.998 21.75 -5.5 100 100 99 100 507 96.4 0.695 -0.066 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8646 2092.7 3.0 scans 95% 319 m/z 0.17% 0.328% 1500 1.0 367 165816 3418558 3133205 1-3 20: 319 73 205 147 320 217 103 321 262 206 117 74 204 229 148 89 157 291 129 191 0.999 21.93 -5.4 96 93 97 99 656 7.9 0.046 -0.065 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1961 2121.3 2.5 scans 94% 396 m/z 0.36% 0.127% 1531 1.2 268 80521 0.163% 1324385 1294683 1694033 1-0 20: 396 73 219 397 381 319 398 191 220 307 205 147 382 320 249 293 75 217 383 74 0.999 22.19 0.8 93 89 87 100 396 104.3 15.189 0.010 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6643 2162.2 3.6 scans 87% 204 m/z 1.5% 0.0239% 1576 1.4 94 18900 0.0406% 249183 236952 421949 1-0 13: 204 73 205 249 217 147 206 131 191 361 117 218 250 0.987 22.71 -4.3 98 97 97 98 518 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.1662 2206.3 2.6 scans 97% 73 m/z 0.18% 0.350% 1623 1.0 421 160226 3640120 3553255 1-1 20: 73 169 143 231 75 211 156 81 170 147 117 93 79 107 181 157 183 121 74 105 1.000 23.28 -10.5 90 86 70 95 450 19.7 0.220 -0.115 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN WTF2-N1036 C18:0 23.3945 2227.2 2.9 scans 87% 341 m/z 3.2% 0.0159% 1645 1.5 82 9000 0.0171% 165570 145761 177718 1-4 12: 341 117 342 132 75 129 145 55 57 356 69 313 0.994 22.89 45.4 88 94 89 94 356 11.4 1.919 0.506 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6498 2343.6 3.3 scans 92% 73 m/z 0.52% 0.113% 1764 1.1 219 55687 0.140% 1182868 1156563 1454997 0-1 20: 73 147 331 217 421 191 262 307 319 205 103 259 332 422 305 74 204 192 333 148 0.998 24.65 0.0 99 98 98 99 466 13.9 0.401 -0.000 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7445 2352.6 2.7 scans 85% 73 m/z 2.1% 0.0263% 1773 1.2 111 13493 0.121% 273358 237988 1257534 1-2 20: 73 217 204 147 292 375 305 103 219 218 205 376 129 233 451 275 306 293 191 148 0.974 24.81 -5.8 93 93 91 92 451 12.3 1.223 -0.061 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5332 2528.9 2.8 scans 66% 512 m/z (361) 2.6% 0.0214% 1943 1.0 103 11234 223043 222871 0-1 15: 512 455 513 247 456 483 514 457 57 248 349 423 497 484 249 0.966 26.57 -4.2 94 95 84 95 512 38.9 14.436 -0.040 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9025 2567.1 >3 scans 57% TIC 6.1% 0.00220% 1978 1.5 44 4745 0.0203% 22862 22862 210975 0-0 0.950 26.39 52.5 81 89 64 89 459 6.8 2.375 0.509 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1020 Sucrose 27.4086 2620.0 10.4 scans 11% 437 m/z (361 73) 0.055% 1.39% 2026 1.5 465 524650 1.52% 14490215 14106952 15797115 1-0 14: 437 451 438 439 452 321 440 450 115 304 322 379 239 310 0.565 27.46 -5.6 88 93 75 98 437 266.2 32.810 -0.052 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1010 Sucrose 27.4181 2621.0 10.1 scans 99% 361 m/z 0.0090% 13.5% 2027 1.3 1402 3226206 140791406 138416751 1-1 20: 361 362 363 219 320 273 130 332 345 306 317 347 305 220 435 201 307 255 187 232 0.998 27.58 -17.2 100 99 98 99 437 269.7 3.724 -0.161 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN TAB_REP6-N1070 Sucrose 27.4181 2621.0 10.1 scans 88% 361 m/z (437) 0.010% 12.1% 2027 1.3 1321 2854756 126561268 124426625 1-1 20: 361 362 363 219 320 273 130 332 345 306 317 347 305 220 435 201 307 255 187 232 0.999 27.41 0.9 88 86 73 99 451 0.0 0.000 0.008 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1014 Sucrose 27.4265 2621.9 10.0 scans 90% TIC 0.0090% 10.5% 2028 0.6 1342 3234069 12.5% 109435061 106791568 129910487 1-0 1.000 27.49 -6.8 100 99 99 99 437 272.2 4.147 -0.063 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1018 Sucrose 27.4549 2625.0 >3 scans 53% 244 m/z (73) 0.0096% 2.59% 2031 1.3 1004 3025308 7.19% 26947534 25576826 74724512 0-1 20: 244 221 215 247 233 293 227 348 265 255 269 334 289 275 373 349 167 239 367 223 0.940 27.47 -1.5 92 94 63 93 437 257.1 6.614 -0.015 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN LQC1-N1016 Sucrose 27.4549 2625.0 >3 scans 58% 244 m/z (361) 0.015% 2.83% 2031 1.3 1050 1850006 7.88% 29509222 28008212 81895571 0-1 20: 244 221 215 247 233 293 227 348 265 255 269 334 289 275 373 349 167 239 367 223 0.980 27.48 -2.3 88 89 94 94 437 15.8 0.000 -0.022 G:\GCMS data\Nicotiana Panel polar\N6_REP2.FIN GUA35_L1-N1020 Galactinol 30.4800 2964.6 3.0 scans 89% 204 m/z 2.0% 0.0202% 2318 1.1 94 14079 210179 195652 2-3 17: 204 217 205 191 305 147 361 206 129 218 103 433 641 318 243 169 192 0.962 30.55 -7.8 93 93 92 94 641 9.9 1.124 -0.065 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN EXBLK5S-N1006 Contamination 6.5909 1061.3 3.0 scans 58% 207 m/z 1.4% 0.0400% 48 1.7 102 21372 0.0629% 382926 178636 600769 5-21 12: 207 295 208 209 191 296 297 279 177 189 193 192 0.959 6.63 -2.0 97 97 92 98 295 30.5 8.963 -0.034 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1194 Alanine 7.4106 1109.9 9.5 scans 79% TIC 0.95% 0.0584% 126 0.4 113 31501 0.136% 557899 557899 1298959 0-0 0.995 7.40 0.4 97 96 96 96 283 0.0 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN A-KETO~2-N1006 Contamination?? 7.9041 1139.1 2.8 scans 78% 156 m/z 2.2% 0.0139% 173 1.1 86 13072 0.0208% 133427 117159 198664 6-1 8: 156 75 55 54 61 59 74 158 0.996 7.96 -3.1 99 98 96 98 156 46.7 29.665 -0.053 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1192 Contamination 7.9851 1143.9 2.9 scans 69% 147 m/z 5.0% 0.00858% 180 1.3 70 5892 0.0204% 81958 76147 194844 2-0 14: 147 73 133 220 235 148 146 103 86 59 72 131 89 160 0.978 7.99 -0.3 94 95 91 95 235 13.8 3.921 -0.004 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1188 Contamination 8.3776 1167.2 4.8 scans 78% 281 m/z 3.4% 0.0177% 218 1.3 76 8704 0.0207% 169059 164223 197709 1-9 9: 281 369 282 147 370 283 265 249 191 0.991 8.41 -2.2 98 97 84 99 369 22.8 8.868 -0.037 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1190 Contamination 8.4733 1172.9 2.9 scans 66% 73 m/z 3.9% 0.00670% 227 0.9 65 7560 0.0168% 64010 64010 160460 0-0 11: 73 140 211 198 77 69 126 70 186 215 78 0.961 8.48 -0.6 94 94 89 94 309 6.2 0.910 -0.011 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1186 Phosphate 8.5428 1177.0 2.5 scans 76% 241 m/z 1.6% 0.0150% 233 1.0 93 18383 143621 138621 1-1 13: 241 242 211 133 163 243 256 195 135 59 98 181 137 0.942 8.56 -1.0 95 93 91 98 299 0.0 0.000 -0.018 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1184 Valine 9.1646 1213.7 3.9 scans 77% 144 m/z 1.8% 0.0183% 293 0.7 83 16464 0.0242% 174956 151953 231138 3-8 8: 144 73 218 145 219 146 100 74 0.991 9.19 -1.3 98 97 93 98 218 25.6 9.589 -0.023 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1180 Benzoic acid 9.7318 1246.9 3.2 scans 59% 179 m/z 5.6% 0.00800% 346 1.1 58 5297 0.00807% 76485 68668 77078 7-2 7: 179 105 135 77 180 194 136 0.841 9.76 -1.6 93 92 85 97 194 8.9 2.360 -0.027 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1178 Ethanolamine 9.9959 1262.3 4.0 scans 92% 174 m/z 0.36% 0.100% 372 0.8 192 81541 0.462% 961915 857308 4412641 2-0 19: 174 73 175 147 100 86 133 59 130 114 148 131 172 101 87 144 72 132 117 0.998 10.03 -2.2 100 99 99 99 262 19.7 1.051 -0.038 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN VEN77_S6-N1002 Glycerol 10.0916 1267.9 3.1 scans 94% TIC 0.014% 1.87% 381 0.6 948 2063559 17890850 17391216 1-1 0.975 10.09 -0.1 100 99 95 100 299 587.2 38.610 -0.002 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LACTIC~1-N1034 Glycerol 10.0979 1268.3 3.1 scans 5.7% 147 m/z (299) 0.32% 0.121% 381 0.7 233 91119 0.139% 1162927 1075939 1327613 1-3 11: 147 205 117 206 175 101 219 203 217 220 295 0.551 10.11 -0.7 87 97 58 94 293 18.5 0.633 -0.012 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2431 1276.8 2.6 scans 89% 73 m/z 0.91% 0.0274% 395 1.1 129 32825 261989 244682 1-2 19: 73 198 77 211 199 70 74 212 381 239 289 72 200 92 170 63 143 142 285 0.996 10.24 0.2 98 98 96 98 381 15.1 1.368 0.003 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1176 Isoleucine 10.4241 1287.4 3.1 scans 73% 158 m/z 1.9% 0.0117% 412 1.1 76 15190 0.0123% 111827 111663 117479 0-1 6: 158 218 159 232 160 219 0.964 10.46 -2.0 97 97 90 97 260 6.3 0.690 -0.035 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1174 Proline 10.5104 1292.4 3.1 scans 85% 142 m/z 0.49% 0.0401% 420 1.0 143 60683 0.938% 383089 383089 8958998 0-0 15: 142 73 143 216 147 144 72 74 66 59 217 68 140 70 57 0.998 10.55 -2.0 99 98 98 99 142 100.7 49.472 -0.035 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1172 Maleic acid 10.5925 1297.2 2.9 scans 94% TIC 0.11% 0.227% 428 1.0 345 254747 1.56% 2173972 2010554 14899826 2-0 0.998 10.62 -1.9 99 98 98 99 245 80.0 5.380 -0.032 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1170 Glycine 10.6493 1300.6 >4 scans 54% TIC 2.4% 0.00550% 434 1.0 79 12483 0.919% 52575 52575 8777526 0-0 0.980 10.69 -2.2 86 84 83 90 276 11.4 2.090 -0.038 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7450 1306.3 3.0 scans 95% TIC 0.024% 1.22% 443 0.8 751 1240689 11737203 10942839 1-5 0.994 10.76 -0.8 99 97 96 99 251 181.9 5.885 -0.013 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1168 Glyceric acid 11.0470 1324.5 3.5 scans 98% TIC 0.023% 3.05% 471 0.4 1129 1279507 29177124 28561556 1-1 1.000 11.05 -0.4 100 99 99 100 292 371.7 10.858 -0.007 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN TAB_REP6-N1018 Uracil 11.1386 1330.0 2.7 scans 58% 241 m/z 8.5% 0.00407% 480 1.5 46 3496 38921 38655 0-2 5: 241 255 256 99 242 0.929 11.15 -0.6 96 96 97 99 256 16.3 12.643 -0.009 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1164 Itaconic acid 11.2206 1335.0 2.6 scans 80% TIC 2.7% 0.00991% 488 0.8 76 10982 2.55% 94653 85396 24355485 0-2 0.976 11.25 -1.9 86 84 85 90 259 15.3 4.020 -0.031 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1162 Fumaric acid 11.3606 1343.4 2.6 scans 96% 245 m/z 0.12% 0.213% 501 1.1 351 238502 2035453 1959622 1-1 20: 245 147 73 246 75 247 143 83 133 148 149 115 74 155 84 53 157 61 59 58 1.000 11.39 -1.9 100 99 99 100 245 199.6 32.384 -0.032 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4563 1349.1 3.2 scans 32% 57 m/z 1.6% 0.0233% 510 1.1 105 18731 0.0455% 222571 209481 434578 3-0 17: 57 97 145 115 127 56 129 69 111 59 128 109 87 72 58 71 98 0.414 11.45 0.6 92 92 94 97 145 30.6 8.481 0.010 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4689 1349.9 3.0 scans 77% 84 m/z 0.35% 0.0890% 512 1.2 201 85253 850913 792923 2-3 18: 84 133 162 161 119 92 118 82 51 65 85 78 63 130 91 64 106 120 0.898 10.96 30.9 93 96 95 97 161 51.1 6.477 0.513 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN TAB_REP6-N1020 Serine 11.5058 1352.1 2.9 scans 92% TIC 0.22% 0.179% 515 1.1 311 134129 0.268% 1715005 1663298 2559714 0-1 1.000 11.51 -0.5 100 98 98 99 306 32.7 1.106 -0.007 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1160 Serine 11.5068 1352.2 2.6 scans 91% 204 m/z (84) 0.22% 0.166% 515 1.1 310 132666 1586865 1516839 3-1 20: 204 73 218 205 147 100 219 278 206 188 75 74 220 306 116 189 216 59 132 148 0.997 11.56 -3.0 97 98 98 99 306 32.7 1.116 -0.050 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN TAB_REP6-N1024 Threonine 11.9151 1376.8 2.6 scans 94% 73 m/z 0.65% 0.0650% 554 1.1 198 45814 621735 603129 1-1 20: 73 218 219 291 117 292 147 101 220 57 293 100 75 132 203 74 320 202 128 221 0.997 11.92 -0.3 100 98 99 100 320 18.4 0.862 -0.006 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN N406_R~1-N1016 b-Alanine 12.6022 1419.0 2.6 scans 36% 248 m/z 16% 0.00219% 619 1.3 35 1844 20990 20990 0-0 3: 248 174 290 0.603 12.60 -0.0 88 95 57 95 304 0.0 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1148 Glutamine?? 13.2956 1462.6 2.8 scans 93% 155 m/z 0.26% 0.101% 685 0.9 237 115305 0.127% 967248 954474 1212999 1-1 19: 155 73 147 156 229 139 59 75 157 100 74 148 131 230 158 103 149 72 132 0.991 13.35 -3.3 99 98 98 99 257 17.8 0.564 -0.051 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1146 Malic acid 13.5765 1480.3 3.9 scans 99% 73 m/z 0.014% 4.11% 712 0.4 1271 2025262 39331985 39325460 1-0 20: 73 147 233 245 133 189 190 148 75 335 191 74 175 55 149 101 234 307 217 265 1.000 13.62 -2.5 100 100 100 100 350 33.8 0.071 -0.041 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1144 Contamination Parabanica acid 13.7543 1491.5 3.1 scans 52% 243 m/z 3.8% 0.0149% 729 1.2 81 7881 143141 129443 1-7 6: 243 115 100 128 244 142 0.880 13.81 -3.3 90 90 76 91 243 35.4 19.180 -0.052 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1142 Erythritol/Threitol 13.8395 1496.9 2.8 scans 37% 217 m/z (73 159) 6.1% 0.0123% 737 1.2 80 4890 0.0147% 118081 108318 140402 1-1 13: 217 147 205 103 204 117 189 307 218 191 206 116 293 0.832 13.89 -3.2 80 84 58 92 320 8.3 1.060 -0.050 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0258 1509.1 2.6 scans 31% 232 m/z (73) 0.23% 0.0897% 755 1.1 223 126196 857070 856521 0-1 20: 232 218 233 100 234 202 188 219 216 306 117 334 130 292 204 220 101 174 235 132 0.964 14.02 0.6 92 93 89 98 258 7.4 0.000 0.009 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0342 1509.6 4.0 scans 84% 73 m/z (232) 0.11% 0.351% 755 1.1 367 270799 3353087 3245701 2-1 12: 73 75 74 133 149 131 61 244 103 60 150 129 0.982 14.11 -5.1 97 98 97 99 273 15.0 0.167 -0.076 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1140 Aspartic acid 14.0342 1509.6 4.0 scans 66% 73 m/z (156) 0.18% 0.276% 755 1.1 326 161386 2641182 2556595 2-1 12: 73 75 74 133 149 131 61 244 103 60 150 129 0.973 14.09 -3.5 97 98 98 99 349 16.3 0.249 -0.053 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN TAB_REP6-N1032 GABA 14.1973 1520.4 2.5 scans 97% 174 m/z 0.061% 0.530% 771 0.8 561 486233 5067973 4981852 0-1 20: 174 304 73 147 175 305 75 86 176 306 59 216 143 246 100 148 133 172 142 74 1.000 14.19 0.6 100 99 99 100 304 175.0 9.762 0.009 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6476 1550.3 3.2 scans 98% 292 m/z 0.017% 3.72% 814 0.4 1324 1748749 35542286 34189838 1-1 20: 292 73 147 220 205 217 293 117 103 294 221 148 319 133 291 74 206 102 149 130 1.000 14.69 -2.9 100 100 100 100 409 108.2 0.670 -0.044 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1126 Pyrazine 15.0769 1578.8 2.8 scans 79% 227 m/z 2.7% 0.0189% 854 1.1 103 10953 181003 181003 0-0 18: 227 73 344 301 302 345 147 228 154 211 346 303 126 212 128 112 59 74 0.941 15.13 -3.6 97 96 91 97 344 32.1 9.785 -0.055 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3852 1599.2 2.9 scans 76% 217 m/z 0.76% 0.0245% 884 1.2 131 39469 0.0449% 234272 234272 428848 0-0 16: 217 73 218 219 147 215 230 129 103 189 74 333 220 148 259 149 0.970 15.44 -3.8 95 94 93 97 393 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1120 Glutamic acid 15.5041 1607.4 2.5 scans 76% TIC 2.6% 0.00996% 895 0.7 80 11337 0.0582% 95166 95166 555878 0-0 0.977 15.56 -3.9 95 95 88 95 363 9.0 1.276 -0.056 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1118 Phenylalanine 15.6093 1614.7 >3 scans 83% TIC 1.8% 0.0250% 905 0.9 114 16454 0.0736% 239245 225354 702966 3-0 0.985 15.66 -3.5 92 90 91 96 294 8.8 0.594 -0.050 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN TAB_REP6-N1038 Xylose 15.8924 1634.4 3.2 scans 76% 73 m/z 1.4% 0.0389% 932 2.2 124 20933 0.143% 372250 332018 1365817 1-0 19: 73 217 103 307 147 308 218 277 189 160 104 309 219 233 74 89 278 129 133 0.954 15.89 0.2 90 88 88 97 307 34.8 7.847 0.002 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN TAB_REP6-N1040 Xylose 16.0102 1642.6 2.8 scans 93% 73 m/z 0.36% 0.128% 943 1.1 268 83266 0.173% 1227356 1222612 1652352 1-0 20: 73 103 217 307 147 308 160 189 218 277 74 133 309 104 205 117 75 89 219 234 0.996 16.00 0.5 94 92 95 98 307 77.3 8.320 0.006 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN TAB_REP6-N1042 Ribose 16.1081 1649.4 3.0 scans 88% TIC 1.1% 0.0392% 952 1.2 142 25712 0.277% 374405 374405 2645674 0-0 0.994 16.10 0.4 96 94 96 99 307 41.2 8.473 0.005 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.2291 1657.8 3.1 scans 39% 290 m/z 3.7% 0.00485% 964 1.8 46 8041 46380 40210 1-4 5: 290 291 292 392 158 0.970 16.28 -3.3 90 90 58 93 392 9.7 4.534 -0.047 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1110 Ribose 16.3206 1664.1 3.0 scans 53% 103 m/z 2.7% 0.0151% 973 1.0 88 11114 144622 134937 1-1 8: 103 307 308 277 160 309 104 105 0.891 16.38 -3.9 90 91 89 93 467 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6184 1684.8 3.2 scans 84% TIC 2.3% 0.0223% 1001 1.5 108 12905 0.0387% 213278 209283 369630 1-0 0.996 16.68 -4.0 98 97 95 97 497 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0024 1712.1 4.2 scans 74% 73 m/z (133) 1.5% 0.0413% 1037 1.6 123 18858 0.208% 394544 394544 1986643 0-0 13: 73 217 307 319 147 205 103 308 218 204 129 320 189 0.982 17.06 -4.4 85 86 85 86 510 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN TAB_REP6-N1044 Putrescine 17.1929 1726.0 2.9 scans 81% 174 m/z 0.31% 0.0762% 1056 1.0 196 95303 727837 719346 0-1 20: 174 175 214 176 86 172 200 59 361 100 130 173 146 215 142 376 126 187 116 114 0.994 17.19 0.4 99 97 97 99 376 16.2 0.681 0.005 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3865 1740.1 4.0 scans 73% TIC 2.2% 0.0244% 1074 1.5 108 13128 0.101% 233459 233459 964668 0-0 0.962 17.44 -4.2 96 96 93 96 511 8.9 0.683 -0.057 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5727 1753.7 3.0 scans 94% 217 m/z 0.083% 0.398% 1092 1.0 441 361730 0.453% 3806026 3557614 4326680 5-1 20: 217 73 218 147 219 75 189 74 215 129 133 450 244 231 191 148 149 130 59 216 1.000 17.63 -4.3 92 90 94 94 450 37.7 0.733 -0.059 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7095 1763.7 3.2 scans 53% 334 m/z (217) 2.4% 0.0401% 1105 0.9 132 12193 0.0425% 383426 367421 405925 1-2 12: 334 256 335 375 255 167 336 211 166 376 267 254 0.919 17.70 0.8 83 85 71 88 375 18.0 1.862 0.011 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1086 Fructofuranose 18.0757 1790.4 4.0 scans 92% TIC 0.12% 0.571% 1139 1.5 456 250273 1.39% 5459337 5354634 13276127 1-0 0.986 18.13 -4.2 95 93 95 97 437 131.6 8.323 -0.058 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1084 Shikimic acid 18.1388 1795.0 3.6 scans 26% 204 m/z 0.58% 0.0406% 1145 1.0 124 51570 0.0542% 388520 329674 517673 5-3 17: 204 357 255 254 447 283 373 358 282 359 181 356 463 239 195 448 355 0.862 18.20 -4.2 94 96 83 95 462 14.9 1.457 -0.058 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1082 Citric acid 18.2556 1803.7 3.5 scans 88% TIC 0.19% 0.332% 1157 1.1 384 150683 1.33% 3171406 3026013 12703057 0-2 0.980 18.32 -5.0 94 92 88 97 465 53.9 1.968 -0.065 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.6018 1830.1 6.2 scans 92% 217 m/z 0.25% 0.365% 1189 1.4 300 116787 3491496 3197737 4-5 20: 217 147 204 218 191 205 189 320 148 149 345 448 131 193 243 537 143 221 435 307 0.997 18.67 -5.2 93 91 92 96 319 49.8 2.757 -0.067 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1076 Pregnane?? 18.8049 1845.6 5.0 scans 96% 345 m/z 0.019% 3.77% 1209 1.2 1076 1570769 36073527 34467733 1-1 20: 345 73 346 255 147 347 334 256 204 191 435 419 372 133 257 74 148 348 239 537 0.999 18.86 -4.1 100 100 99 100 537 87.1 0.659 -0.053 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1074 Adenine 18.8901 1852.1 3.5 scans 15% 264 m/z 4.0% 0.00373% 1217 1.2 43 7368 0.114% 35712 35712 1088833 0-0 2: 264 279 0.969 18.94 -3.8 88 89 73 89 415 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1072 Fructose 19.0016 1860.6 10.1 scans 100% 105 m/z 0.016% 11.6% 1227 1.4 1397 1783328 20.3% 110965511 109368892 193888760 0-1 20: 105 131 206 334 207 102 134 203 100 230 214 145 246 71 222 270 144 198 393 70 0.999 19.03 -2.4 100 98 99 99 364 163.5 1.375 -0.031 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN TAB_REP6-N1050 Fructose 19.0563 1864.8 >2 scans 54% 158 m/z 0.039% 0.965% 1233 2.2 900 758823 11.2% 9217212 9217212 106973109 0-0 17: 158 242 98 228 402 236 245 556 344 257 377 328 378 392 209 199 68 1.000 18.98 5.8 99 98 99 98 364 104.3 1.348 0.076 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN TAB_REP6-N1052 Fructose 19.1763 1873.9 >5 scans 92% 218 m/z 0.022% 4.74% 1244 1.7 1213 1312372 29.1% 45348352 45348352 277939060 0-0 20: 218 262 263 365 554 279 72 333 231 216 264 376 276 229 318 337 557 391 288 55 1.000 19.10 5.5 99 98 98 99 364 149.2 1.517 0.072 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1068 Galactopyranose 19.2594 1880.3 3.7 scans 73% 204 m/z 0.039% 0.670% 1252 1.0 686 767640 20.5% 6405639 6405639 195798994 0-0 20: 204 191 73 147 205 217 206 192 129 218 189 117 133 193 74 148 435 305 75 203 0.999 19.32 -4.2 98 97 96 99 435 54.3 0.627 -0.056 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1066 Glucose 19.3783 1889.3 14.0 scans 40% 319 m/z (73) 0.012% 8.75% 1263 1.2 1026 2356608 8.81% 83583581 83437871 84145812 1-0 17: 319 320 321 206 207 277 323 302 344 175 316 174 136 301 168 264 245 0.837 19.40 -1.6 88 91 57 93 319 627.5 37.617 -0.021 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1064 Mannose 19.3783 1889.3 14.0 scans 94% 319 m/z 0.012% 20.0% 1263 1.2 1557 2343553 20.1% 191055122 190722058 191978526 1-0 17: 319 320 321 206 207 277 323 302 344 175 316 174 136 301 168 264 245 0.993 19.45 -5.9 99 98 97 99 319 625.7 16.213 -0.077 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1062 Glucose 19.6350 1909.4 4.7 scans 96% TIC 0.012% 7.62% 1288 0.4 1611 2376269 72843802 72013791 4-0 0.993 19.66 -1.7 100 99 99 99 319 629.7 15.338 -0.021 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN N406_R~2-N1016 Galacturonic acid 19.7971 1922.4 2.5 scans 40% 333 m/z 2.3% 0.0113% 1303 1.1 87 12774 0.0205% 108059 106544 195799 0-2 6: 333 334 160 335 393 274 0.874 19.79 0.3 91 88 65 98 423 8.8 1.036 0.004 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7971 1922.4 3.7 scans 45% TIC 2.3% 0.00635% 1303 1.2 92 12774 0.0644% 60650 60650 615095 0-0 0.918 19.79 0.2 89 88 76 91 333 46.2 25.260 0.003 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1056 Ascorbic acid 19.9318 1933.3 2.9 scans 39% 332 m/z 5.4% 0.00905% 1316 0.8 72 5472 0.0392% 86469 86469 374406 0-0 6: 332 333 374 334 359 289 0.927 19.99 -4.4 83 83 77 86 449 8.9 1.516 -0.054 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.3232 1964.7 3.3 scans 98% 204 m/z 0.011% 3.52% 1353 0.5 1296 2551952 33707142 33707142 0-0 20: 204 73 191 147 205 217 206 192 218 129 189 74 133 193 103 305 435 75 148 203 0.999 20.41 -7.3 100 98 99 99 217 287.5 4.949 -0.091 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1052 Gluconic acid 2 20.5399 1982.1 2.5 scans 95% TIC 0.17% 0.312% 1374 0.8 429 171824 0.350% 2982411 2982411 3342910 0-0 0.999 20.60 -4.6 97 95 98 97 613 13.8 0.104 -0.057 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1050 Gluconic acid 20.5862 1985.9 >3 scans 57% TIC 6.0% 0.00549% 1378 2.3 62 4978 0.231% 52459 50599 2206320 0-1 0.916 20.65 -5.0 83 84 72 83 613 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN WTF2-N1038 C16:0 21.1534 2032.9 2.7 scans 85% 313 m/z 2.3% 0.0223% 1432 1.2 113 12670 213596 198812 1-4 19: 313 117 73 75 314 132 129 145 55 328 315 57 201 131 118 69 133 116 83 0.991 20.62 44.6 85 89 90 95 328 13.8 1.496 0.536 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6763 2076.8 2.7 scans 98% 305 m/z 0.027% 2.67% 1482 0.6 1198 1109826 25590791 25096959 0-1 20: 305 217 73 318 147 191 306 319 265 204 307 218 432 433 367 320 129 133 291 148 0.999 21.75 -6.1 100 100 100 100 507 101.1 0.714 -0.073 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8615 2092.4 3.0 scans 93% 319 m/z 0.24% 0.237% 1499 1.1 342 122139 2272337 2018136 2-2 20: 319 73 205 147 320 217 321 103 206 117 204 74 229 133 157 148 89 129 263 207 0.996 21.93 -5.7 96 94 97 99 656 7.6 0.050 -0.069 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1950 2121.2 2.5 scans 94% 396 m/z 0.21% 0.214% 1531 1.0 367 139090 0.242% 2051250 1942638 2311383 1-0 20: 396 219 73 397 381 398 319 220 191 307 382 205 147 249 293 75 74 320 103 308 0.999 22.19 0.7 95 92 90 100 396 152.4 17.221 0.009 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6612 2161.9 3.4 scans 87% 204 m/z 1.3% 0.0284% 1575 1.9 113 23105 0.0480% 271289 262665 458456 1-0 19: 204 73 205 147 217 249 206 103 131 117 361 75 191 74 129 218 133 250 189 0.990 22.71 -4.6 98 97 97 99 518 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.1662 2206.3 2.6 scans 97% 73 m/z 0.15% 0.485% 1623 1.0 527 199058 4634687 4476213 1-1 20: 73 169 143 231 211 75 156 81 147 170 117 183 157 181 93 74 79 107 195 121 1.000 23.28 -10.5 89 86 71 94 450 25.2 0.230 -0.115 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN WTF2-N1036 C18:0 23.3935 2227.1 3.2 scans 82% 341 m/z 3.9% 0.0164% 1645 1.7 84 7634 0.0196% 156861 133247 187203 1-3 14: 341 117 132 75 145 129 342 55 356 57 343 69 118 83 0.995 22.89 45.3 87 93 87 93 356 12.4 2.191 0.504 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1024 Glycerolgalactose 24.1227 2293.8 2.9 scans 88% 204 m/z 1.3% 0.0272% 1714 1.3 119 22146 0.0325% 259886 252763 310413 1-0 20: 204 73 205 337 147 217 103 129 206 219 218 339 101 74 191 133 148 305 149 131 0.996 24.18 -5.3 93 92 92 94 581 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6498 2343.6 3.2 scans 92% 73 m/z 0.87% 0.0901% 1764 0.6 192 34465 860999 845381 3-1 20: 73 331 147 191 217 421 205 103 307 262 319 332 305 333 376 148 192 89 320 74 0.999 24.65 0.0 98 97 97 98 466 12.7 0.443 -0.000 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7445 2352.6 2.7 scans 85% TIC 2.7% 0.0216% 1773 1.6 106 10913 207188 191036 0-1 0.983 24.81 -5.8 92 92 88 92 451 13.2 1.561 -0.060 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5311 2528.7 2.8 scans 68% 512 m/z (361) 2.5% 0.0223% 1943 1.0 112 11614 213598 208893 0-1 18: 512 455 513 247 456 514 483 57 497 457 263 349 248 484 409 423 383 249 0.953 26.57 -4.4 94 96 84 96 512 44.0 15.499 -0.042 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1010 Sucrose 27.4066 2619.8 6.0 scans 100% 437 m/z 0.0092% 8.72% 2026 0.3 1529 3241494 83349234 83149863 1-0 20: 437 438 365 435 333 220 255 158 118 464 346 228 374 465 279 182 267 56 393 68 0.999 27.58 -18.4 100 99 98 99 437 306.3 4.041 -0.172 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1020 Sucrose 27.4066 2619.8 6.0 scans 10% 437 m/z (363) 0.053% 0.902% 2026 0.3 490 563910 8619094 8598477 1-0 20: 437 438 365 435 333 220 255 158 118 464 346 228 374 465 279 182 267 56 393 68 0.953 27.46 -5.8 95 96 94 99 437 306.9 39.350 -0.054 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1016 Sucrose 27.4202 2621.3 5.8 scans 55% 361 m/z (363) 0.021% 4.85% 2028 0.2 1161 1414756 46411714 45356042 1-1 20: 361 73 217 147 271 103 169 218 129 243 319 191 219 331 272 74 189 205 230 204 0.794 27.48 -6.0 83 80 91 97 437 17.2 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN TAB_REP6-N1070 Sucrose 27.4202 2621.3 5.8 scans 76% 361 m/z (437) 0.014% 6.74% 2028 0.2 1368 2095671 64386626 62922100 1-1 20: 361 73 217 147 271 103 169 218 129 243 319 191 219 331 272 74 189 205 230 204 0.995 27.41 1.2 91 89 74 99 451 13.9 0.000 0.010 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN LQC1-N1006 Trehalose 28.3641 2723.2 >3 scans 49% TIC 6.2% 0.00173% 2117 1.1 48 4771 0.0530% 16599 16599 506212 0-0 0.957 28.47 -11.7 90 90 77 90 565 0.0 0.000 -0.104 G:\GCMS data\Nicotiana Panel polar\N6_REP3.FIN GUA35_L1-N1020 Galactinol 30.6242 2981.7 2.9 scans 95% 204 m/z 0.49% 0.0702% 2332 1.2 192 61313 670715 627171 1-3 20: 204 73 205 217 191 147 206 361 129 305 433 218 103 230 319 318 265 306 192 219 0.996 30.55 9.3 82 80 92 84 641 0.0 0.000 0.079 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN EXBLK5S-N1006 Contamination 6.6035 1062.0 2.7 scans 58% 207 m/z 1.1% 0.0533% 49 1.9 102 23295 0.0930% 364861 168219 636324 7-21 11: 207 295 208 209 296 191 297 193 279 189 210 0.958 6.63 -1.3 98 98 92 98 295 30.4 8.955 -0.022 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8097 1074.3 >6 scans 34% 147 m/z 7.7% 0.00746% 69 0.7 45 3526 0.0528% 51080 49785 361268 0-3 5: 147 190 117 73 191 0.872 6.82 -0.6 90 93 88 95 295 2.5 0.000 -0.011 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1194 Alanine 7.4200 1110.4 9.2 scans 80% TIC 0.56% 0.127% 127 0.4 137 48694 0.250% 873560 873560 1710550 0-0 0.990 7.40 0.9 97 96 95 97 283 0.0 0.000 0.016 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9145 1139.7 2.8 scans 79% 156 m/z 1.6% 0.0231% 174 1.1 92 16188 0.0299% 158333 152237 204582 0-4 7: 156 75 55 157 54 61 158 0.988 7.96 -2.5 99 98 96 98 156 50.2 29.767 -0.042 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1192 Contamination 7.9945 1144.5 2.7 scans 73% 73 m/z 2.9% 0.0176% 181 1.3 84 9344 0.0330% 120959 114720 225793 2-0 14: 73 147 133 220 235 146 72 59 86 100 148 103 89 74 0.944 7.99 0.3 98 98 94 98 235 16.1 3.647 0.005 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1188 Contamination 8.3743 1167.0 4.7 scans 78% 281 m/z 2.8% 0.0250% 218 1.7 78 9494 0.0325% 171712 169898 222371 1-3 11: 281 147 369 282 283 370 265 249 371 207 191 0.980 8.41 -2.4 98 97 83 99 369 22.3 8.185 -0.041 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1190 Contamination 8.4953 1174.2 >4 scans 59% TIC 3.8% 0.00706% 229 1.1 58 7084 0.0574% 48368 48368 392742 0-0 0.936 8.48 0.7 90 89 87 93 309 4.9 0.696 0.011 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1186 Phosphate 8.5490 1177.4 2.4 scans 61% 241 m/z 1.2% 0.0200% 234 1.1 93 22126 0.0206% 136979 132366 140949 0-1 11: 241 242 211 163 133 243 256 195 135 98 137 0.805 8.56 -0.6 94 93 82 98 299 0.0 0.000 -0.012 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1184 Valine 9.1698 1214.0 3.6 scans 74% 144 m/z (156) 1.7% 0.0241% 293 0.8 78 15347 0.0317% 165170 146011 216898 3-14 7: 144 73 218 145 146 100 219 0.958 9.19 -1.0 96 97 94 98 218 24.6 9.927 -0.018 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1180 Benzoic acid 9.7369 1247.2 3.2 scans 20% 179 m/z (147) 4.4% 0.0119% 347 1.1 59 6091 81899 76915 1-2 8: 179 105 135 77 180 194 136 106 0.757 9.76 -1.3 92 94 88 98 194 9.4 2.522 -0.022 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1178 Ethanolamine 9.9968 1262.4 3.9 scans 87% 174 m/z 0.74% 0.0640% 372 1.0 125 36816 0.634% 438421 406665 4337954 2-0 13: 174 73 175 100 133 262 59 130 131 114 148 172 74 0.979 10.03 -2.1 99 99 96 99 262 14.2 1.306 -0.037 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN VEN77_S6-N1002 Glycerol 10.1031 1268.6 3.5 scans 98% 299 m/z 0.010% 3.59% 382 0.5 1029 2609712 24607445 24607445 0-0 20: 299 300 314 73 301 133 283 211 315 207 193 147 191 316 135 302 225 205 298 74 1.000 10.09 0.6 99 98 95 99 299 637.7 38.663 0.009 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2430 1276.8 2.4 scans 86% 73 m/z 0.87% 0.0333% 395 1.0 120 31284 228311 221401 1-1 18: 73 198 211 77 199 74 70 239 289 381 212 92 72 200 143 63 170 142 0.991 10.24 0.2 97 96 95 98 381 13.8 1.322 0.003 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1176 Isoleucine 10.4314 1287.8 >4 scans 70% TIC 2.2% 0.0119% 413 1.2 68 12050 0.0151% 81953 81953 103317 0-0 0.975 10.46 -1.6 97 97 91 97 260 5.4 0.621 -0.028 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1012 Proline 10.5166 1292.8 3.0 scans 93% TIC 0.10% 0.236% 421 0.9 293 266079 2.57% 1617878 1579788 17584450 2-0 0.992 10.53 -1.0 100 99 99 100 216 53.6 3.346 -0.016 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1172 Maleic acid 10.5955 1297.4 2.8 scans 94% 147 m/z 0.13% 0.237% 429 1.0 294 196681 1.99% 1625889 1622583 13615975 1-0 20: 147 73 245 148 75 149 83 133 246 74 143 84 170 59 126 58 215 66 155 72 0.999 10.62 -1.7 99 98 98 98 245 67.3 5.245 -0.028 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1170 Glycine 10.6534 1300.8 3.4 scans 63% TIC 1.0% 0.0202% 434 1.1 115 27252 1.76% 138522 138522 12042269 0-0 0.989 10.69 -2.0 91 89 88 92 276 17.2 2.259 -0.034 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7481 1306.5 3.3 scans 95% 147 m/z 0.020% 1.93% 443 0.8 750 1334878 13249838 12888752 1-1 20: 147 73 251 76 148 149 58 132 252 74 133 177 150 176 118 59 253 72 146 62 0.976 10.76 -0.6 99 98 98 99 251 178.8 5.699 -0.010 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1168 Glyceric acid 11.0311 1323.5 2.6 scans 98% 73 m/z 0.032% 1.85% 470 0.7 850 845982 12665337 12662962 1-0 20: 73 147 292 189 133 205 103 293 148 117 102 190 307 75 74 294 191 149 59 101 0.999 11.05 -1.4 100 99 99 100 292 265.3 9.761 -0.023 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0806 1326.5 2.7 scans 40% 184 m/z 7.1% 0.00518% 475 1.0 45 3827 0.00949% 35465 35179 64932 0-1 7: 184 285 174 86 100 77 286 0.892 11.06 1.0 83 84 54 87 285 17.1 14.545 0.018 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1018 Uracil 11.1385 1330.0 2.7 scans 62% 241 m/z 5.5% 0.00828% 480 1.5 55 4889 0.00847% 56662 55195 57953 0-3 7: 241 99 255 256 242 113 183 0.928 11.15 -0.6 95 94 89 99 256 17.6 10.281 -0.010 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1164 Itaconic acid 11.2184 1334.8 2.7 scans 85% TIC 1.6% 0.0261% 488 0.7 95 16263 0.0342% 178795 161010 234003 0-2 0.996 11.25 -2.1 88 85 89 92 259 17.5 3.438 -0.034 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1162 Fumaric acid 11.3605 1343.4 2.5 scans 96% 245 m/z 0.12% 0.276% 501 1.0 330 220080 1891450 1798467 2-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 74 155 84 53 240 59 61 157 0.999 11.39 -1.9 100 99 99 99 245 185.2 31.516 -0.033 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4562 1349.1 3.1 scans 40% 57 m/z 1.3% 0.0339% 510 1.2 105 20644 0.0478% 231949 217152 327057 2-0 15: 57 97 145 115 127 69 129 111 128 59 72 71 146 98 87 0.780 11.45 0.6 92 92 93 98 145 31.4 8.880 0.010 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN WTF2-N1024 Contamination 10.96min 11.4699 1350.0 3.0 scans 83% 84 m/z (204) 0.37% 0.113% 512 1.2 191 72335 773907 742797 1-2 16: 84 162 161 119 92 65 82 118 51 78 63 91 64 104 77 54 0.905 10.96 31.0 90 92 93 99 161 45.4 5.674 0.514 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1160 Serine 11.5067 1352.2 2.6 scans 89% 204 m/z (84) 0.19% 0.279% 515 1.1 324 138449 1914165 1847565 2-1 19: 204 73 218 205 219 278 206 75 74 220 116 306 132 279 148 216 103 203 72 0.925 11.56 -3.0 96 97 95 98 306 31.7 0.957 -0.050 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1020 Serine 11.5067 1352.2 2.6 scans 83% 204 m/z 0.19% 0.257% 515 1.1 313 138482 1759342 1698130 2-1 19: 204 73 218 205 219 278 206 75 74 220 116 306 132 279 148 216 103 203 72 0.906 11.51 -0.4 99 99 95 99 306 31.7 1.030 -0.006 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN BRA4_R~2-N1008 Thymine 11.5919 1357.3 3.0 scans 55% 255 m/z 5.7% 0.00461% 523 1.3 40 4756 31580 31580 0-1 5: 255 270 256 257 271 0.887 11.58 0.5 98 99 93 99 270 14.6 13.314 0.008 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1024 Threonine 11.9150 1376.8 2.5 scans 95% 73 m/z 0.38% 0.141% 554 1.0 243 70737 967551 912567 1-1 20: 73 218 219 117 291 292 147 101 220 293 57 75 100 74 203 128 133 132 202 221 0.999 11.92 -0.3 100 99 99 100 320 21.9 0.813 -0.006 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN N406_R~1-N1016 b-Alanine 12.6042 1419.1 2.7 scans 44% 174 m/z 10% 0.00608% 620 1.0 47 2598 41622 41622 1-0 6: 174 248 290 129 249 175 0.755 12.60 0.1 92 93 71 99 304 0.0 0.000 0.002 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1148 Glutamine?? 13.2996 1462.9 2.9 scans 95% TIC 0.19% 0.187% 686 0.8 253 136967 0.225% 1283358 1262979 1539495 3-1 0.996 13.35 -3.0 99 97 99 99 257 20.2 0.642 -0.047 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1146 Malic acid 13.5648 1479.6 3.1 scans 97% 73 m/z 0.017% 3.70% 711 0.4 1076 1566190 25332673 23990468 1-1 20: 73 147 233 245 133 189 190 148 175 191 75 335 149 234 101 74 55 217 265 307 1.000 13.62 -3.2 100 99 99 100 350 28.3 0.069 -0.052 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7511 1491.3 2.9 scans 73% 115 m/z 1.9% 0.0384% 728 1.0 113 13921 0.0404% 262809 248772 276425 2-3 11: 115 243 100 128 244 142 72 201 102 98 114 0.973 13.81 -3.5 95 95 92 94 243 45.3 16.026 -0.055 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1140 Aspartic acid 14.0236 1508.9 2.5 scans 62% 232 m/z (156) 0.16% 0.242% 754 1.2 309 165978 1657167 1643117 0-1 19: 232 233 218 100 234 202 188 216 219 306 101 220 204 334 130 292 203 235 189 0.986 14.09 -4.2 97 99 98 99 349 17.6 0.326 -0.063 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0467 1510.5 4.5 scans 55% TIC 0.11% 0.504% 757 0.5 346 232815 3450103 3384411 1-0 0.623 14.03 1.2 86 96 65 97 258 81.4 5.529 0.017 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0478 1510.5 3.1 scans 92% 156 m/z 0.057% 0.624% 757 0.7 446 476189 4275395 4182773 1-0 16: 156 147 157 258 230 158 259 231 148 140 72 58 121 112 86 260 0.963 14.11 -4.2 99 99 97 99 273 18.4 0.171 -0.062 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1032 GABA 14.1909 1520.0 2.7 scans 96% TIC 0.092% 0.475% 770 1.0 423 294268 0.520% 3253078 3111628 3557943 4-4 0.998 14.19 0.2 100 99 99 100 304 129.7 9.414 0.003 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3613 1531.3 8.4 scans 76% TIC 2.2% 0.0237% 786 0.9 89 12163 0.425% 162266 150639 2907934 0-3 0.996 14.62 -17.3 93 93 90 94 409 7.2 0.657 -0.260 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6391 1549.7 2.8 scans 99% 73 m/z 0.016% 4.10% 813 0.6 1199 1619170 28092319 28084853 1-0 20: 73 292 147 220 205 217 293 117 103 148 221 294 133 319 74 291 206 102 149 75 1.000 14.69 -3.5 100 100 100 100 409 96.0 0.643 -0.053 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1126 Pyrazine 15.0747 1578.6 2.5 scans 92% 73 m/z 0.54% 0.122% 854 1.1 223 50558 838734 829809 0-1 20: 73 227 344 301 147 302 154 345 228 139 211 126 329 229 59 303 74 346 212 133 0.984 15.13 -3.8 100 99 98 99 344 69.0 9.577 -0.057 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3820 1599.0 2.6 scans 74% 217 m/z 0.91% 0.0272% 883 1.2 110 29835 0.0357% 186752 186752 244266 0-0 6: 217 218 219 103 230 117 0.983 15.44 -4.0 94 92 91 96 393 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1120 Glutamic acid 15.5051 1607.5 2.5 scans 68% 246 m/z 2.8% 0.0114% 895 0.9 69 9499 78430 78430 0-0 9: 246 128 247 248 230 348 156 84 100 0.976 15.56 -3.8 93 94 86 93 363 7.5 1.165 -0.055 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1118 Phenylalanine 15.6040 1614.4 2.8 scans 75% 218 m/z (267) 1.5% 0.0378% 905 1.3 113 18001 258934 237079 1-2 8: 218 192 219 100 266 220 132 294 0.982 15.66 -3.8 93 93 90 97 294 9.2 0.662 -0.055 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1038 Xylose 15.8891 1634.2 3.4 scans 76% TIC 1.9% 0.0343% 932 2.1 98 14186 0.129% 234956 231762 882644 1-1 0.957 15.89 -0.0 91 88 88 97 307 26.1 7.040 -0.001 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1040 Xylose 16.0070 1642.4 2.6 scans 92% 73 m/z 0.47% 0.114% 943 1.1 212 57052 0.153% 781689 739818 1046856 3-1 20: 73 103 217 307 147 308 189 218 160 277 133 309 74 117 104 205 234 204 105 75 0.999 16.00 0.3 95 93 95 98 307 59.2 7.800 0.003 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1042 Ribose 16.1038 1649.1 3.0 scans 81% TIC 1.6% 0.0312% 952 0.8 107 16656 0.245% 213819 195368 1676339 2-0 0.983 16.10 0.1 97 96 95 98 307 31.0 8.352 0.001 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN EXBLK1-N1004 Contamination triHydroxy-Benzene 16.1564 1652.7 2.8 scans 67% TIC 4.0% 0.00819% 957 1.0 69 6723 0.0798% 56100 56100 546007 0-0 0.952 15.90 17.9 80 75 63 94 342 32.4 21.857 0.258 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.2279 1657.7 2.7 scans 44% 290 m/z 3.2% 0.00689% 964 1.6 46 8512 47171 41400 1-4 4: 290 291 392 158 0.904 16.28 -3.4 89 89 57 94 392 9.2 4.087 -0.048 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6151 1684.6 2.7 scans 87% TIC 1.4% 0.0448% 1001 1.6 126 18521 0.0743% 307120 297772 508375 1-0 0.996 16.68 -4.2 99 98 96 98 497 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9255 1706.5 2.8 scans 74% 217 m/z (117) 2.6% 0.0240% 1030 1.3 94 10268 0.124% 164686 164686 848433 0-0 12: 217 205 307 103 319 218 320 204 308 148 189 243 0.982 16.99 -4.6 89 90 90 91 422 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9981 1711.8 3.2 scans 78% 73 m/z 1.2% 0.0510% 1037 1.3 132 21052 0.203% 349025 348640 1388966 0-1 20: 73 305 217 147 307 205 319 103 306 218 189 129 204 308 320 74 148 133 191 243 0.950 17.06 -4.7 93 93 90 93 510 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1044 Putrescine 17.1896 1725.7 2.8 scans 74% 174 m/z (73) 0.81% 0.0338% 1055 1.2 111 33356 231595 229749 1-0 17: 174 175 214 176 86 172 200 130 361 100 146 142 173 126 362 99 376 0.986 17.19 0.1 96 97 96 98 376 7.9 0.499 0.002 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1096 Putrescine 17.1896 1725.7 2.8 scans 64% 174 m/z 0.81% 0.0292% 1055 1.2 104 33463 199973 198379 1-0 17: 174 175 214 176 86 172 200 130 361 100 146 142 173 126 362 99 376 0.992 17.25 -4.3 98 97 96 99 458 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3790 1739.6 2.6 scans 70% 292 m/z (345) 2.4% 0.0233% 1073 1.1 95 11279 0.0248% 159814 159126 169687 0-1 11: 292 333 217 103 307 334 293 335 308 319 277 0.979 17.44 -4.7 93 95 93 96 511 6.5 0.460 -0.064 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5663 1753.2 2.7 scans 93% 217 m/z 0.098% 0.369% 1091 1.0 376 276850 0.433% 2525125 2310760 2962672 4-1 20: 217 73 218 147 219 75 74 230 129 215 189 133 244 103 191 148 130 149 220 231 0.997 17.63 -4.8 94 92 95 95 450 35.5 0.896 -0.066 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6989 1762.9 >3 scans 60% TIC 1.6% 0.0284% 1104 2.2 152 16349 0.564% 194455 194455 3859000 0-0 0.993 17.70 0.0 91 90 86 91 375 20.3 1.794 -0.000 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1084 Shikimic acid 18.1303 1794.4 2.8 scans 42% 204 m/z 0.51% 0.0525% 1145 0.9 134 53423 359347 327331 2-2 16: 204 206 357 255 372 254 358 462 373 447 167 359 282 331 356 256 0.716 18.20 -4.8 97 96 93 98 462 13.8 1.060 -0.067 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1046 Shikimic acid 18.1324 1794.6 6.6 scans 79% TIC 0.51% 0.0976% 1145 1.6 184 53588 0.513% 668335 668335 3510048 0-0 0.932 18.13 0.6 96 96 93 99 372 20.7 1.271 0.007 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1082 Citric acid 18.2502 1803.3 2.7 scans 91% 273 m/z (193) 0.23% 0.302% 1156 1.1 336 116041 0.417% 2067849 1972528 2853197 5-2 20: 273 73 147 347 363 375 274 465 211 275 75 149 148 376 305 364 348 74 221 257 0.997 18.32 -5.4 97 97 96 99 465 51.0 2.298 -0.071 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1076 Pregnane?? 18.8090 1845.9 3.8 scans 97% 345 m/z 0.011% 6.16% 1209 0.4 1308 2485868 42190114 41119987 1-1 20: 345 73 346 255 147 347 334 191 256 204 435 419 372 257 133 74 239 148 348 75 0.999 18.86 -3.8 100 100 99 100 537 101.1 0.600 -0.049 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1074 Adenine 18.8847 1851.7 3.3 scans 23% 264 m/z 4.8% 0.00496% 1216 1.1 39 5648 0.0425% 33956 31629 290793 1-0 4: 264 265 279 266 0.990 18.94 -4.2 91 92 81 92 415 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1072 Fructose 18.9668 1858.0 6.0 scans 96% 73 m/z 0.032% 3.94% 1224 2.0 871 838511 6.81% 26987293 25994496 46595372 1-1 20: 73 307 217 103 147 308 277 218 309 133 364 205 189 74 117 104 219 89 148 191 1.000 19.03 -5.0 100 98 99 100 364 97.4 1.255 -0.066 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1050 Fructose 18.9931 1860.0 6.1 scans 95% 235 m/z 0.038% 3.24% 1225 1.4 808 711242 6.69% 22192883 21161318 45774308 1-0 13: 235 318 292 158 311 367 270 246 304 352 215 180 182 1.000 18.98 1.0 100 99 100 100 364 90.4 1.256 0.013 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1070 Fructose 19.1320 1870.6 8.1 scans 86% 73 m/z (189) 0.069% 2.70% 1240 0.4 610 395403 20.3% 18503311 18461039 138896631 0-1 20: 73 307 217 103 147 308 277 218 364 205 309 89 262 117 74 148 104 133 75 191 0.996 19.19 -4.7 92 93 94 94 554 37.2 0.373 -0.062 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1052 Fructose 19.1320 1870.6 8.1 scans 95% 73 m/z 0.058% 2.89% 1240 0.4 642 464556 21.7% 19838442 19793120 148475709 0-1 20: 73 307 217 103 147 308 277 218 364 205 309 89 262 117 74 148 104 133 75 191 0.998 19.10 2.2 100 99 100 100 364 70.8 1.217 0.028 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1068 Galactopyranose 19.2277 1877.9 >4 scans 48% TIC 0.88% 0.0203% 1249 0.8 128 30806 15.4% 139227 139227 105369858 0-0 0.968 19.32 -6.6 93 92 90 94 435 10.6 0.681 -0.087 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1056 Glucose 19.3487 1887.1 >6 scans 82% 319 m/z 0.012% 10.8% 1260 0.3 1379 2218854 19.7% 74342281 71267824 134791312 1-0 6: 319 134 366 390 449 245 1.000 19.33 1.3 100 99 99 99 364 98.6 0.514 0.017 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1066 Glucose 19.3572 1887.7 11.3 scans 48% 321 m/z (73) 0.011% 11.5% 1261 0.1 1062 2304362 79356805 79341485 1-0 9: 321 322 262 216 233 309 143 343 119 0.928 19.40 -3.2 89 91 65 94 319 599.2 32.021 -0.042 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1064 Mannose 19.3572 1887.7 11.3 scans 97% 321 m/z 0.011% 23.1% 1261 0.1 1508 2304362 158614716 158584095 1-0 9: 321 322 262 216 233 309 143 343 119 0.997 19.45 -7.5 100 99 98 100 319 599.2 15.847 -0.098 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1059 Glucose 19.5939 1906.1 3.7 scans 97% 73 m/z 0.013% 7.42% 1284 0.4 1411 1982204 50771931 50725342 1-0 20: 73 319 205 147 160 320 103 217 321 206 133 117 129 74 229 157 89 189 148 207 0.998 19.55 3.4 100 99 99 99 376 59.8 0.180 0.042 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7328 1917.3 3.2 scans 50% 73 m/z 3.4% 0.00937% 1297 1.0 78 7975 0.0626% 64141 64141 428322 0-0 8: 73 205 244 319 147 320 117 103 0.894 19.79 -4.6 85 85 82 90 434 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7917 1922.0 5.6 scans 64% TIC 1.7% 0.0298% 1303 2.1 108 15762 0.118% 204284 203369 807379 1-0 0.963 19.79 -0.2 93 93 85 93 333 47.9 19.605 -0.002 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1056 Ascorbic acid 19.9190 1932.2 6.4 scans 62% 332 m/z 3.3% 0.0183% 1315 0.8 82 8199 0.109% 125631 125631 745800 0-0 13: 332 73 147 117 374 143 359 333 205 334 148 289 259 0.967 19.99 -5.5 83 82 78 85 449 8.3 1.006 -0.067 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2978 1962.7 2.9 scans 64% 73 m/z (204) 0.29% 0.162% 1351 1.3 234 92641 1109471 1084055 1-1 20: 73 147 217 218 74 189 129 133 148 117 75 305 149 131 435 72 319 190 143 317 0.973 20.30 0.2 86 88 88 88 433 17.8 0.575 0.002 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.2978 1962.7 2.9 scans 86% 73 m/z (394) 0.27% 0.217% 1351 1.3 272 100978 1488989 1454878 1-1 20: 73 147 217 218 74 189 129 133 148 117 75 305 149 131 435 72 319 190 143 317 0.975 20.41 -9.3 94 95 94 96 217 67.2 6.123 -0.116 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1052 Gluconic acid 2 20.5219 1980.7 2.7 scans 93% 73 m/z 0.18% 0.399% 1372 0.7 374 148514 2736575 2532077 2-3 20: 73 292 147 319 217 205 305 333 293 103 320 294 74 433 277 334 306 359 307 321 0.997 20.60 -6.0 96 95 97 95 613 11.4 0.093 -0.075 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN WTF2-N1038 C16:0 21.1438 2032.1 2.9 scans 86% 313 m/z 2.4% 0.0311% 1431 1.5 102 11228 213033 191370 1-9 19: 313 117 75 132 129 314 145 55 57 118 131 328 69 74 315 133 116 83 56 0.979 20.62 43.8 88 93 91 95 328 11.1 1.189 0.527 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6783 2077.0 3.0 scans 98% 305 m/z 0.018% 5.37% 1482 0.6 1344 1489839 36757218 36753044 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 129 367 133 219 192 1.000 21.75 -5.9 100 100 100 100 507 110.0 0.672 -0.071 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8603 2092.3 3.0 scans 96% 319 m/z 0.18% 0.444% 1499 1.2 377 150787 3039907 2964801 1-1 20: 319 73 205 147 320 217 103 321 262 117 74 206 204 229 133 148 157 129 89 291 0.998 21.93 -5.8 96 93 96 99 656 9.1 0.058 -0.070 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1949 2121.2 2.5 scans 95% 396 m/z 0.16% 0.347% 1531 0.9 378 170732 2380503 2251885 1-4 20: 396 219 73 397 381 398 220 191 307 382 249 293 75 74 319 221 147 383 308 399 0.998 22.19 0.7 98 96 93 99 396 163.1 18.593 0.009 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6653 2162.3 3.4 scans 89% 204 m/z 1.0% 0.0471% 1576 1.5 118 25981 0.0856% 322531 300638 585692 3-0 17: 204 73 205 147 217 206 361 117 131 74 191 129 103 219 133 362 149 0.995 22.71 -4.2 96 94 95 98 518 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN BRA4_R~4-N1012 Spermidine 22.8946 2182.3 3.1 scans 61% 174 m/z 18% 0.00487% 1597 1.5 37 1441 33363 31648 0-6 5: 174 201 200 172 86 0.983 22.90 -0.5 92 96 94 97 418 6.9 3.498 -0.005 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.1587 2205.6 2.8 scans 96% 73 m/z 0.46% 0.209% 1623 1.0 271 58838 1435476 1411371 1-0 20: 73 169 143 231 75 211 156 81 170 147 93 117 107 183 181 79 157 121 105 141 0.998 23.28 -11.2 89 86 69 94 450 11.7 0.186 -0.122 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN WTF2-N1036 C18:0 23.3965 2227.4 3.9 scans 85% 341 m/z 5.6% 0.0188% 1645 2.0 67 4870 0.0227% 129210 122389 155318 1-0 10: 341 117 132 342 356 145 129 55 57 69 0.969 22.89 45.6 85 91 85 93 356 10.1 2.264 0.508 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6508 2343.7 3.6 scans 94% 73 m/z 0.59% 0.179% 1764 0.5 211 46321 1230651 1201642 1-1 20: 73 331 217 147 191 421 262 307 205 103 319 305 332 259 117 422 192 333 74 308 0.995 24.65 0.1 99 98 98 99 466 12.0 0.325 0.001 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7486 2353.0 2.8 scans 85% 73 m/z 3.1% 0.0272% 1774 1.3 93 8816 186279 144743 1-4 14: 73 217 204 147 375 103 305 451 205 129 133 74 101 148 0.988 24.81 -5.4 90 90 87 90 451 11.4 1.488 -0.056 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5321 2528.8 2.8 scans 64% 512 m/z (361) 2.5% 0.0293% 1943 1.0 104 10848 200747 193630 1-1 18: 512 455 513 247 456 57 483 349 457 484 423 248 497 383 235 233 353 179 0.946 26.57 -4.3 94 96 83 95 512 41.1 15.617 -0.041 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN WTF2-N1032 Sucrose 26.6499 2541.0 2.8 scans 72% 437 m/z 11% 0.00682% 1954 1.1 48 2409 0.0447% 46708 45612 305846 1-0 6: 437 361 273 217 362 438 0.972 26.87 -22.7 82 84 78 85 451 6.4 1.763 -0.220 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1020 Sucrose 27.4044 2619.6 8.7 scans 10% 437 m/z (361) 0.049% 1.71% 2026 1.5 469 555510 11758320 11740819 1-0 20: 437 451 438 439 452 453 440 321 190 274 366 334 105 349 348 455 335 421 442 263 0.428 27.46 -6.0 93 97 93 99 437 294.2 39.467 -0.057 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1010 Sucrose 27.4086 2620.0 8.7 scans 100% 363 m/z 0.0085% 17.4% 2026 1.3 1486 3209271 119657162 119324819 1-0 20: 363 364 365 321 347 450 145 215 247 334 463 246 105 348 185 323 421 442 481 295 0.999 27.58 -18.2 100 99 98 99 437 289.7 3.825 -0.170 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1018 Sucrose 27.4138 2620.6 8.8 scans 63% 361 m/z (217) 0.0085% 10.3% 2027 0.8 1196 3209271 11.7% 70677328 68498123 80053723 1-0 20: 361 362 319 157 170 333 259 345 293 232 201 322 304 306 220 151 248 294 467 392 0.956 27.47 -5.9 86 89 71 87 437 294.2 6.094 -0.056 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1014 Sucrose 27.4180 2621.0 8.8 scans 90% TIC 0.0085% 14.4% 2027 0.7 1427 3209271 16.5% 98718357 95558318 112896276 1-0 1.000 27.49 -7.7 100 99 99 99 437 292.8 4.244 -0.072 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1008 Sucrose 27.4454 2623.9 8.4 scans 100% 73 m/z 0.0088% 16.2% 2030 0.2 1508 3093964 111273119 109844126 1-0 20: 73 103 74 75 104 450 435 69 55 59 81 116 89 193 156 158 139 87 99 54 1.000 27.59 -15.6 100 99 97 99 437 277.1 3.398 -0.146 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN LQC1-N1006 Trehalose 28.3766 2724.6 4.0 scans 39% 361 m/z 8.5% 0.00232% 2118 0.9 37 3208 0.0192% 15919 15919 131370 0-0 4: 361 362 191 363 0.925 28.47 -10.3 89 90 67 90 565 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel polar\N6_REP4.FIN GUA35_L1-N1020 Galactinol 30.6251 2981.8 2.9 scans 95% 204 m/z 0.58% 0.0779% 2332 1.2 163 46917 533160 506172 1-4 20: 204 73 217 191 205 147 206 129 305 361 103 218 318 230 243 219 293 319 265 148 0.995 30.55 9.4 83 81 92 84 641 0.0 0.000 0.080 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN EXBLK5S-N1006 Contamination 6.6352 1063.9 2.7 scans 54% 207 m/z (179) 1.1% 0.0366% 52 1.6 105 23145 0.117% 248516 196587 793146 8-3 14: 207 295 208 209 191 296 297 279 193 192 210 177 247 189 0.942 6.63 0.6 96 98 92 98 295 30.7 8.570 0.010 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN BRA4_R~4-N1014 Lactic acid 6.9035 1079.8 >14 scans 23% 147 m/z 10% 0.00961% 78 0.1 32 2679 0.0153% 65188 62013 103719 0-1 2: 147 117 0.803 6.82 4.9 90 94 68 93 295 0.0 0.000 0.083 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1194 Alanine 7.4296 1111.0 12.5 scans 68% TIC 1.7% 0.0610% 128 2.1 86 15525 0.125% 413954 413954 847379 0-0 0.958 7.40 1.5 94 94 92 95 283 3.5 0.168 0.026 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN A-KETO~2-N1006 Contamination?? 7.9736 1143.2 2.6 scans 77% 156 m/z 2.1% 0.0183% 179 1.2 86 13106 0.0297% 124485 116140 201337 3-2 11: 156 75 55 73 157 54 158 76 61 74 59 0.994 7.96 1.0 98 98 96 98 156 45.6 28.247 0.017 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1192 Contamination 8.0536 1148.0 2.7 scans 47% 147 m/z 8.9% 0.00397% 187 1.2 45 3109 0.0119% 26929 26929 80670 0-0 5: 147 73 133 220 235 0.859 7.99 3.8 87 90 79 89 235 8.7 3.644 0.065 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1188 Contamination 8.3913 1168.0 5.2 scans 82% 281 m/z 2.1% 0.0434% 219 2.2 90 12639 0.0545% 294714 238412 369457 8-3 12: 281 73 369 147 282 283 370 265 249 284 207 266 0.998 8.41 -1.4 99 98 84 99 369 26.1 8.437 -0.024 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1186 Phosphate 8.5934 1180.0 2.5 scans 41% 241 m/z 2.6% 0.0104% 238 1.1 65 10642 70646 66958 3-1 9: 241 242 211 133 163 256 243 195 135 0.652 8.56 2.0 92 93 77 96 299 0.0 0.000 0.032 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1184 Valine 9.2089 1216.3 4.8 scans 76% 144 m/z 1.4% 0.0347% 297 0.4 87 19207 0.0417% 235797 212665 282685 3-6 8: 144 73 218 145 219 132 146 220 0.981 9.19 1.3 98 98 92 98 218 26.6 9.327 0.021 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1178 Ethanolamine 10.0086 1263.1 4.8 scans 80% TIC 1.6% 0.0339% 373 1.1 86 16773 2.96% 229852 202202 20065924 3-0 0.976 10.03 -1.4 96 95 92 97 262 9.5 1.216 -0.025 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN VEN77_S6-N1002 Glycerol 10.1243 1269.8 3.2 scans 95% 299 m/z 0.010% 3.40% 384 0.5 1036 2569872 23058207 21111203 1-1 20: 299 300 314 73 301 133 283 211 207 315 147 193 191 316 135 302 225 205 74 284 1.000 10.09 1.8 100 98 95 99 299 638.0 38.177 0.030 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2621 1277.9 2.6 scans 68% 73 m/z 2.9% 0.00956% 397 1.0 64 9475 64870 64695 1-0 7: 73 198 77 211 70 199 74 0.956 10.24 1.3 91 91 87 92 381 7.1 1.249 0.022 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1176 Isoleucine 10.4526 1289.0 3.3 scans 81% TIC 0.99% 0.0321% 415 1.1 111 27886 0.0422% 217700 217700 286075 0-0 0.993 10.46 -0.4 99 98 95 99 260 8.3 0.565 -0.006 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1003 Isoleucine 10.4526 1289.0 3.2 scans 78% 158 m/z 0.99% 0.0339% 415 0.8 109 27886 0.0397% 229850 229850 269127 0-0 13: 158 73 218 232 160 219 74 100 132 128 59 233 57 0.992 10.45 0.4 99 98 97 99 232 17.1 2.461 0.008 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1012 Proline 10.5389 1294.1 3.2 scans 93% TIC 0.12% 0.229% 423 0.8 278 226026 2.24% 1556987 1556987 15185024 0-0 0.995 10.53 0.3 100 98 99 100 216 51.2 3.398 0.006 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6136 1298.5 2.8 scans 85% 147 m/z (102) 0.22% 0.151% 430 1.2 235 124432 1.72% 1026442 1023581 11659929 1-0 20: 147 73 148 245 75 83 149 74 133 246 143 59 84 126 170 58 215 66 53 61 0.993 10.60 0.7 97 98 97 99 245 51.4 4.780 0.012 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1172 Maleic acid 10.6136 1298.5 2.8 scans 86% 147 m/z 0.22% 0.146% 430 1.2 237 122353 1.66% 989933 987174 11253187 1-0 20: 147 73 148 245 75 83 149 74 133 246 143 59 84 126 170 58 215 66 53 61 0.970 10.62 -0.6 98 97 97 98 245 51.4 4.685 -0.010 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1170 Glycine 10.6735 1302.0 3.4 scans 41% 174 m/z (212) 1.1% 0.0290% 436 0.7 91 24515 0.0770% 197213 187442 521985 4-0 9: 174 248 86 276 250 176 249 130 277 0.980 10.69 -0.8 86 88 70 88 276 16.3 3.236 -0.013 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7682 1307.7 3.1 scans 96% TIC 0.022% 1.72% 445 0.8 740 1230825 11720822 11424430 1-1 0.991 10.76 0.6 99 97 96 100 251 169.8 5.282 0.010 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1168 Glyceric acid 11.0492 1324.6 2.6 scans 98% 73 m/z 0.035% 1.76% 472 0.5 804 777247 11967317 11587488 1-1 20: 73 147 292 189 133 205 293 103 307 117 190 102 148 75 294 74 149 59 191 101 1.000 11.05 -0.3 100 99 99 100 292 247.9 9.515 -0.005 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0976 1327.5 >3 scans 67% TIC 8.0% 0.00666% 476 1.7 58 3449 1.26% 45211 45211 8541576 0-0 0.963 11.06 2.0 87 84 82 96 285 17.3 8.836 0.035 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1018 Uracil 11.1565 1331.1 2.5 scans 54% 241 m/z 7.7% 0.00526% 482 1.0 46 3569 0.00560% 35720 33281 37963 1-1 7: 241 255 99 256 242 113 257 0.933 11.15 0.5 96 96 95 99 256 15.5 11.086 0.009 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1164 Itaconic acid 11.2323 1335.7 2.6 scans 69% 147 m/z 2.0% 0.0183% 489 1.0 85 13677 0.0194% 124450 111795 131513 3-1 11: 147 259 148 215 149 97 133 141 68 67 83 0.895 11.25 -1.2 90 89 89 95 259 17.0 3.963 -0.020 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1162 Fumaric acid 11.3733 1344.1 2.6 scans 95% 245 m/z 0.25% 0.158% 502 0.9 245 109744 1072802 1053137 2-0 20: 245 147 73 246 75 143 247 83 133 148 240 149 74 115 84 155 53 157 59 54 0.997 11.39 -1.2 98 97 97 98 245 131.9 28.948 -0.020 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4701 1350.0 3.6 scans 22% 57 m/z (84 73) 1.4% 0.0320% 512 0.9 94 18592 0.0418% 217306 210275 283363 2-0 10: 57 97 145 115 127 111 129 109 128 71 0.962 11.45 1.5 89 93 93 98 145 26.3 7.776 0.024 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN WTF2-N1024 Contamination 10.96min 11.4922 1351.3 2.9 scans 81% 84 m/z (73) 0.18% 0.209% 514 1.1 264 146670 1421926 1370915 2-2 18: 84 133 161 162 119 92 51 65 82 118 78 85 63 91 104 64 120 52 0.992 10.96 32.3 91 94 98 99 161 63.7 5.823 0.536 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1160 Serine 11.5216 1353.1 3.1 scans 76% 73 m/z (188) 0.28% 0.243% 517 1.1 269 98430 1650175 1499391 3-1 15: 73 147 74 75 116 216 148 101 174 72 172 149 102 135 175 0.942 11.56 -2.1 94 96 91 96 306 27.1 1.011 -0.035 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1020 Serine 11.5216 1353.1 3.1 scans 75% 73 m/z 0.28% 0.228% 517 1.1 267 98523 1549390 1407816 3-1 15: 73 147 74 75 116 216 148 101 174 72 172 149 102 135 175 0.879 11.51 0.5 97 97 92 97 306 25.2 0.890 0.009 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN BRA4_R~2-N1008 Thymine 11.6058 1358.1 3.1 scans 40% 255 m/z 9.5% 0.00251% 525 0.7 29 2909 17024 17024 0-1 3: 255 256 270 0.921 11.58 1.3 96 98 83 98 270 10.6 13.504 0.022 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1024 Threonine 11.9257 1377.4 2.5 scans 96% 73 m/z 0.34% 0.154% 555 0.9 254 81405 1049076 1012750 1-1 20: 73 218 219 117 291 147 292 220 101 57 74 100 203 75 293 128 133 132 129 320 1.000 11.92 0.3 100 99 99 100 320 23.3 0.842 0.005 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1148 Glutamine?? 13.2956 1462.6 2.8 scans 85% 155 m/z 0.74% 0.0493% 685 1.1 137 37010 0.0690% 334627 326258 467753 2-2 18: 155 73 147 156 139 229 59 157 100 74 148 103 131 84 72 61 56 132 0.976 13.35 -3.3 97 96 96 98 257 10.3 0.566 -0.051 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1146 Malic acid 13.5566 1479.1 3.2 scans 99% 75 m/z 0.021% 2.91% 710 0.5 959 1310754 19746382 19703282 1-0 20: 75 74 55 72 134 135 61 146 58 116 103 150 102 71 219 76 267 99 173 60 0.995 13.62 -3.7 100 99 99 99 350 24.1 0.063 -0.060 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.7523 1491.4 2.8 scans 73% 115 m/z (174) 2.1% 0.0385% 729 1.1 110 12836 0.0430% 261526 229612 291498 3-3 11: 115 243 100 128 244 158 72 101 201 131 142 0.985 13.81 -3.4 93 95 93 95 243 42.7 15.102 -0.054 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0237 1508.9 2.5 scans 36% 232 m/z 0.29% 0.0957% 754 1.1 194 94397 648810 640556 0-1 15: 232 233 218 100 234 202 188 216 219 130 204 292 203 220 235 0.908 14.02 0.4 94 93 85 99 258 6.1 0.000 0.007 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1140 Aspartic acid 14.0237 1508.9 2.5 scans 55% 232 m/z (156) 0.29% 0.144% 754 1.1 238 94397 981600 969112 0-1 15: 232 233 218 100 234 202 188 216 219 130 204 292 203 220 235 0.935 14.09 -4.2 95 97 91 98 349 12.4 0.271 -0.063 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0490 1510.6 2.9 scans 95% 156 m/z 0.064% 0.551% 757 0.6 436 427450 3740572 3655815 1-0 16: 156 147 157 258 230 158 259 140 59 231 72 58 148 131 121 112 0.987 14.11 -4.1 99 98 98 99 273 17.6 0.163 -0.061 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1032 GABA 14.1932 1520.2 2.7 scans 95% 174 m/z (314) 0.13% 0.358% 770 0.9 359 203068 2428441 2375850 1-1 20: 174 73 304 147 175 305 75 176 86 59 216 306 246 143 100 130 133 74 172 148 0.999 14.19 0.4 99 100 99 100 304 106.8 8.866 0.005 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1134 GABA 14.1932 1520.2 2.7 scans 96% 174 m/z 0.13% 0.352% 770 0.9 359 201853 2390366 2338601 1-1 20: 174 73 304 147 175 305 75 176 86 59 216 306 246 143 100 130 133 74 172 148 0.998 14.24 -3.2 100 98 98 99 304 106.8 8.861 -0.049 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3636 1531.5 8.5 scans 82% TIC 2.5% 0.0228% 787 0.9 88 11023 0.379% 155137 145889 2569252 0-4 0.990 14.62 -17.1 93 92 89 93 409 5.7 0.419 -0.257 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6403 1549.8 3.1 scans 98% 73 m/z 0.017% 4.12% 813 0.5 1176 1597130 27957816 27917958 1-0 20: 73 292 147 220 205 293 217 117 103 221 294 148 319 133 74 291 149 102 206 75 0.999 14.69 -3.4 100 100 99 100 409 91.9 0.613 -0.052 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1126 Pyrazine 15.0749 1578.6 2.7 scans 72% 73 m/z 2.8% 0.0190% 854 1.0 86 9874 129011 123757 1-1 17: 73 227 344 301 345 147 154 302 211 126 228 139 133 346 59 74 329 0.916 15.13 -3.8 95 95 89 96 344 25.3 8.688 -0.057 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3811 1598.9 2.6 scans 77% 217 m/z 0.76% 0.0366% 883 1.3 134 36201 0.0592% 248422 248422 401318 0-0 18: 217 73 218 147 219 230 103 129 117 215 189 74 133 59 333 172 149 148 0.982 15.44 -4.1 91 89 90 95 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1036 Glutamic acic 15.5052 1607.5 2.7 scans 22% 246 m/z 20% 0.00108% 895 1.1 21 1378 7338 7338 0-0 1: 246 0.890 15.50 0.1 84 88 61 88 363 0.0 0.000 0.002 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1118 Phenylalanine 15.6052 1614.5 2.7 scans 68% 218 m/z (267) 1.9% 0.0288% 905 1.1 100 14031 195775 178743 1-1 7: 218 192 219 220 266 65 132 0.965 15.66 -3.7 92 94 89 97 294 7.0 0.495 -0.054 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1040 Xylose 16.0061 1642.3 2.6 scans 93% 73 m/z 0.42% 0.118% 943 1.0 220 65795 806154 773739 1-1 20: 73 103 217 307 147 160 308 189 133 218 277 74 117 309 75 205 104 89 204 105 0.996 16.00 0.2 96 94 96 99 307 60.3 7.509 0.002 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1042 Ribose 16.1039 1649.1 2.7 scans 82% 73 m/z 1.4% 0.0324% 952 0.9 113 18821 219697 197313 1-4 20: 73 103 307 217 147 189 308 277 160 309 218 74 133 89 233 205 219 105 104 117 0.990 16.10 0.1 96 95 95 98 307 31.8 8.001 0.001 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.2270 1657.6 3.1 scans 45% 290 m/z 4.1% 0.00532% 964 1.3 42 6690 0.00696% 36084 34469 47182 1-0 2: 290 291 0.762 16.28 -3.5 93 95 64 96 392 7.7 3.254 -0.049 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6132 1684.5 2.8 scans 88% TIC 1.4% 0.0485% 1000 1.5 128 19493 0.0771% 329119 329119 522663 0-0 0.993 16.68 -4.3 99 98 96 98 497 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9299 1706.8 4.3 scans 64% TIC 2.6% 0.0193% 1031 1.5 89 10466 0.277% 130875 130875 1877791 0-0 0.965 16.99 -4.3 91 91 89 92 422 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9973 1711.7 3.2 scans 70% 305 m/z 1.3% 0.0456% 1037 1.2 124 19895 0.147% 309747 309747 996517 0-0 17: 305 217 147 319 306 205 307 103 218 129 204 148 308 320 206 332 243 0.934 17.06 -4.8 88 88 83 87 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1096 Putrescine 17.1888 1725.7 2.6 scans 64% 174 m/z 0.76% 0.0317% 1055 1.2 111 36071 215549 209894 0-1 17: 174 175 214 172 176 200 86 130 361 100 215 146 142 173 376 187 126 0.988 17.25 -4.3 97 96 95 99 458 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1044 Putrescine 17.1888 1725.7 2.6 scans 75% 174 m/z (73) 0.76% 0.0374% 1055 1.2 119 35984 253652 246998 0-1 17: 174 175 214 172 176 200 86 130 361 100 215 146 142 173 376 187 126 0.990 17.19 0.1 96 97 96 99 376 8.8 0.548 0.001 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3782 1739.5 2.8 scans 66% 292 m/z 2.2% 0.0245% 1073 1.1 94 12301 166111 144098 6-0 13: 292 333 103 217 334 307 293 277 335 294 319 218 308 0.962 17.44 -4.8 95 94 91 95 511 6.0 0.412 -0.065 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5654 1753.2 2.7 scans 93% 217 m/z 0.10% 0.356% 1091 1.0 373 261594 2417639 2175931 4-1 20: 217 73 218 147 219 75 74 230 129 133 215 189 103 244 148 191 231 149 130 220 0.999 17.63 -4.8 94 92 95 95 450 34.3 0.849 -0.067 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6991 1762.9 2.9 scans 70% 334 m/z (217) 1.1% 0.0697% 1104 1.0 146 24582 0.116% 472776 422026 786367 6-3 11: 334 204 256 335 255 375 167 336 166 376 67 0.968 17.70 0.0 86 86 85 91 375 16.7 1.299 0.000 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1084 Shikimic acid 18.1294 1794.3 2.9 scans 29% 204 m/z 0.80% 0.0320% 1145 0.9 102 34309 0.0423% 217388 194491 286753 2-4 15: 204 357 206 254 372 462 447 331 358 373 282 359 283 141 267 0.628 18.20 -4.9 93 96 83 97 462 12.3 1.467 -0.068 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1336 1794.6 7.2 scans 81% TIC 0.84% 0.0801% 1145 1.5 168 32933 0.410% 543291 543291 2779402 0-0 0.968 18.13 0.6 90 86 87 98 372 15.6 0.863 0.009 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1082 Citric acid 18.2494 1803.2 3.0 scans 87% TIC 0.33% 0.197% 1156 1.0 266 81529 0.422% 1336700 1293781 2860750 0-1 0.991 18.32 -5.5 98 97 96 99 465 38.6 2.100 -0.072 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1076 Pregnane?? 18.8070 1845.8 3.6 scans 97% 345 m/z 0.010% 6.04% 1209 0.5 1333 2523074 41001101 40481378 1-0 20: 345 73 346 255 147 347 334 191 204 256 435 419 372 133 148 74 257 75 348 239 0.999 18.86 -3.9 100 99 99 100 537 102.3 0.593 -0.051 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1074 Adenine 18.8828 1851.5 3.5 scans 18% 264 m/z 7.3% 0.00353% 1216 1.5 31 3764 0.0359% 23971 23071 243367 1-0 3: 264 279 265 0.961 18.94 -4.4 90 92 77 92 415 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1072 Fructose 18.9659 1857.9 6.3 scans 96% 73 m/z 0.034% 3.73% 1224 2.0 832 809318 6.22% 25314855 24048243 42165557 1-1 20: 73 307 217 103 147 308 218 277 133 309 189 364 205 74 117 104 219 148 89 75 1.000 19.03 -5.1 100 98 99 99 364 88.6 1.138 -0.067 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1052 Fructose 19.1322 1870.6 8.1 scans 94% 73 m/z 0.062% 2.49% 1240 0.5 608 443635 21.8% 16922690 16669725 147782822 0-5 20: 73 217 307 103 147 308 218 277 309 74 205 364 89 262 133 104 219 148 117 75 0.998 19.10 2.2 100 99 99 99 364 64.2 1.117 0.028 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1070 Fructose 19.1322 1870.6 8.1 scans 90% 73 m/z (172) 0.058% 2.49% 1240 0.5 596 470145 21.8% 16945777 16692466 147782822 0-5 20: 73 217 307 103 147 308 218 277 309 74 205 364 89 262 133 104 219 148 117 75 0.995 19.19 -4.7 94 94 96 96 554 28.8 0.234 -0.062 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1066 Glucose 19.3573 1887.7 11.2 scans 48% 319 m/z (73) 0.011% 11.0% 1261 0.7 1077 2322963 12.2% 74915062 72068421 82704148 1-0 11: 319 207 204 307 322 162 278 306 135 223 182 0.969 19.40 -3.2 83 86 71 86 319 606.6 31.817 -0.042 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1064 Mannose 19.3689 1888.6 >10 scans 91% 205 m/z 0.011% 20.3% 1262 0.5 1497 2322963 22.9% 137638509 131923953 155239753 1-0 10: 205 217 206 229 189 131 233 300 343 374 0.999 19.45 -6.6 100 99 98 99 319 606.6 16.481 -0.086 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5183 1900.0 3.1 scans 34% 174 m/z (205 273) 0.19% 0.148% 1277 1.3 211 143230 0.177% 1009885 978887 1199888 1-0 12: 174 338 175 86 176 339 179 340 250 264 341 251 0.774 19.49 2.2 82 86 66 93 338 50.1 5.638 0.028 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1059 Glucose 19.5951 1906.2 3.9 scans 97% TIC 0.013% 7.99% 1284 0.4 1415 1990567 54223608 54044548 2-0 0.998 19.55 3.5 100 99 99 99 376 59.3 0.176 0.043 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7351 1917.4 3.1 scans 60% 73 m/z 2.4% 0.0151% 1297 1.1 93 11441 0.0789% 102934 102934 534865 0-0 11: 73 244 205 147 117 217 103 245 206 74 148 0.949 19.79 -4.5 88 88 87 90 434 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7898 1921.8 3.6 scans 62% TIC 1.6% 0.0289% 1302 2.3 110 16467 0.112% 196573 196573 759251 0-0 0.946 19.79 -0.4 94 94 85 94 333 49.0 19.752 -0.004 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN BRA4_R~2-N1010 Tyrosine 19.8214 1924.4 3.1 scans 17% 218 m/z 5.0% 0.00546% 1305 1.2 42 5527 0.0109% 37047 32178 73891 3-0 4: 218 280 267 179 0.728 19.82 0.3 81 83 54 92 382 5.3 1.589 0.003 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN GUA35_L1-N1008 Glucopyranose 20.2927 1962.3 2.6 scans 50% 204 m/z 0.77% 0.0533% 1350 1.2 145 35660 361346 353940 0-1 13: 204 191 205 206 192 129 193 291 190 361 231 436 243 0.521 20.41 -9.7 85 88 67 92 217 50.2 0.000 -0.121 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.3001 1962.9 3.0 scans 73% 73 m/z 0.52% 0.0989% 1351 1.0 187 52442 0.390% 670889 648129 2643821 0-4 20: 73 147 217 103 395 333 218 148 189 74 221 117 305 393 435 149 306 75 331 434 0.788 20.30 0.4 93 97 91 94 433 18.4 0.967 0.004 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1052 Gluconic acid 2 20.5200 1980.5 2.6 scans 95% TIC 0.20% 0.317% 1372 0.9 349 138084 0.359% 2155654 2082333 2433671 0-2 0.998 20.60 -6.2 96 95 97 95 613 9.8 0.079 -0.077 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN WTF2-N1038 C16:0 21.1440 2032.1 2.9 scans 78% TIC 4.6% 0.0181% 1431 1.2 77 5906 0.0197% 123244 102919 133547 0-10 0.954 20.62 43.8 87 94 88 94 328 8.7 1.252 0.527 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6827 2077.4 3.3 scans 98% 305 m/z 0.017% 6.34% 1482 0.4 1401 1592017 43001868 42659958 1-0 20: 305 217 73 318 147 191 306 319 265 204 307 218 432 433 320 367 133 129 291 148 0.999 21.75 -5.5 100 100 100 100 507 113.2 0.656 -0.066 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8595 2092.2 3.1 scans 96% 73 m/z 0.18% 0.404% 1499 1.2 360 146150 2742541 2639095 1-2 20: 73 319 205 147 320 103 217 321 262 206 117 204 74 133 148 89 229 157 207 129 0.998 21.93 -5.9 97 94 97 99 656 7.8 0.047 -0.071 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1941 2121.1 2.4 scans 95% 396 m/z 0.19% 0.294% 1531 0.9 352 141439 0.299% 1998079 1930151 2026930 1-0 20: 396 219 73 397 381 398 220 191 307 249 382 293 75 74 147 319 308 399 383 221 0.998 22.19 0.6 98 96 94 99 396 149.7 18.054 0.008 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6612 2161.9 3.1 scans 91% 204 m/z 1.0% 0.0461% 1575 1.7 120 25801 0.0807% 312822 302964 547068 1-0 19: 204 73 205 249 217 147 206 117 131 361 74 129 103 218 219 133 189 250 305 0.995 22.71 -4.6 98 97 97 99 518 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.1610 2205.9 2.7 scans 97% TIC 0.17% 0.498% 1623 0.9 438 158045 3381648 3381648 0-0 1.000 23.28 -10.9 89 85 69 94 450 18.6 0.181 -0.120 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6488 2343.5 3.3 scans 93% 73 m/z 0.60% 0.160% 1764 0.5 205 45429 1087519 1054326 1-1 20: 73 331 147 191 217 307 205 421 262 319 103 332 259 305 422 308 333 74 89 376 0.994 24.65 -0.1 99 98 98 99 466 11.6 0.319 -0.001 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7456 2352.7 2.7 scans 85% TIC 3.4% 0.0227% 1773 1.8 87 7975 153933 143658 0-1 0.981 24.81 -5.7 87 87 84 87 451 10.6 1.490 -0.059 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5291 2528.5 2.6 scans 63% 512 m/z (361) 2.7% 0.0256% 1943 0.9 100 9898 174088 168533 1-1 18: 512 455 513 247 456 57 483 514 457 423 484 497 248 263 409 249 235 179 0.961 26.57 -4.6 93 96 84 95 512 38.0 14.508 -0.044 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN WTF2-N1032 Sucrose 26.6469 2540.7 2.5 scans 75% 361 m/z 12% 0.00526% 1954 1.0 46 2272 35674 35289 0-2 5: 361 437 217 273 362 0.984 26.87 -23.0 84 86 80 86 451 5.4 1.381 -0.223 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1018 Sucrose 27.4087 2620.0 8.8 scans 47% 361 m/z (73) 0.0093% 8.60% 2026 1.2 1037 2978684 58347032 58346454 1-0 20: 361 362 437 364 71 231 440 345 173 346 233 201 156 289 207 54 223 167 118 366 0.869 27.47 -6.5 90 94 55 92 437 296.0 8.211 -0.061 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1010 Sucrose 27.4087 2620.0 8.8 scans 99% 361 m/z 0.0085% 18.1% 2026 1.2 1511 3222399 123290222 123289002 1-0 20: 361 362 437 364 71 231 440 345 173 346 233 201 156 289 207 54 223 167 118 366 0.998 27.58 -18.2 100 99 98 99 437 290.7 3.724 -0.170 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1014 Sucrose 27.4161 2620.8 8.9 scans 90% TIC 0.0085% 14.9% 2027 0.8 1454 3222399 17.2% 101579980 97712617 116599291 1-0 1.000 27.49 -7.9 100 99 99 100 437 294.7 4.140 -0.074 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1016 Sucrose 27.4519 2624.6 8.7 scans 49% 73 m/z (306) 0.016% 8.86% 2031 0.1 1068 1699046 60103513 59271122 1-1 20: 73 217 147 271 103 169 129 218 243 319 191 74 189 331 219 204 230 133 205 117 0.976 27.48 -2.7 85 88 92 91 437 16.3 0.000 -0.025 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1008 Sucrose 27.4519 2624.6 8.7 scans 99% 73 m/z 0.0093% 17.4% 2031 0.1 1506 2954752 118056023 116421030 1-1 20: 73 217 147 271 103 169 129 218 243 319 191 74 189 331 219 204 230 133 205 117 1.000 27.59 -14.9 100 99 98 99 437 271.7 3.276 -0.139 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN LQC1-N1006 Trehalose 28.3820 2725.2 >4 scans 22% 361 m/z 19% 0.000757% 2119 1.0 21 1410 0.00967% 5133 5133 65553 0-0 2: 361 362 0.842 28.47 -9.7 81 85 45 84 565 0.0 0.000 -0.086 G:\GCMS data\Nicotiana Panel polar\N6_REP6.FIN GUA35_L1-N1020 Galactinol 30.6421 2983.9 3.5 scans 96% 204 m/z 1.0% 0.0564% 2334 1.3 127 27446 382412 366678 1-3 20: 204 73 205 191 217 147 206 129 361 103 218 74 319 318 192 265 149 148 231 291 1.000 30.55 11.5 83 81 92 83 641 0.0 0.000 0.097 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN EXBLK5S-N1006 Contamination 6.4048 1050.3 4.5 scans 57% 207 m/z 2.3% 0.0255% 30 1.1 79 11466 0.0257% 232302 150788 233767 14-5 9: 207 295 208 73 209 191 297 296 279 0.974 6.63 -13.0 94 93 80 96 295 23.3 8.696 -0.220 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN A-KETO~2-N1006 Contamination?? 8.0399 1147.2 2.6 scans 56% 156 m/z 5.6% 0.00482% 186 1.3 49 4792 43849 43608 2-0 4: 156 55 54 157 0.941 7.96 5.0 89 86 88 97 156 27.6 31.605 0.083 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1192 Contamination 8.1188 1151.9 3.2 scans 57% TIC 4.9% 0.00552% 193 1.6 63 5467 0.0265% 50284 50284 241044 0-0 0.943 7.99 7.7 92 93 86 92 235 11.6 3.362 0.130 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN WTF2-N1026 Cadaverine NC 8.2135 1157.5 3.2 scans 80% 174 m/z 1.5% 0.0284% 202 1.1 98 17417 0.0418% 258846 194032 380212 1-8 13: 174 73 86 175 142 59 100 130 160 176 143 161 131 0.979 7.74 28.3 93 92 88 100 216 21.5 4.835 0.477 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1188 Contamination 8.3945 1168.2 6.4 scans 76% 281 m/z 2.8% 0.0313% 219 2.3 78 9457 285438 229914 8-15 10: 281 369 147 73 249 283 282 191 370 371 0.968 8.41 -1.2 98 97 81 99 369 22.3 8.176 -0.021 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1186 Phosphate 8.6396 1182.7 2.5 scans 33% 241 m/z 10% 0.00136% 243 1.0 28 2650 12396 12396 0-0 1: 241 0.866 8.56 4.7 88 89 65 92 299 0.0 0.000 0.079 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1184 Valine 9.2383 1218.0 7.0 scans 38% 144 m/z 14% 0.00238% 300 0.3 25 1904 0.00514% 21651 20884 46753 2-2 3: 144 218 73 0.882 9.19 3.0 82 88 72 87 218 9.2 13.889 0.050 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1180 Benzoic acid 9.8044 1251.1 3.8 scans 49% 179 m/z 13% 0.00318% 353 0.4 33 2052 0.00389% 29004 28110 35383 2-2 4: 179 105 135 77 0.838 9.76 2.6 94 97 85 96 194 4.8 2.180 0.045 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1178 Ethanolamine 10.0127 1263.3 6.8 scans 74% TIC 3.7% 0.0137% 373 1.3 61 7242 0.352% 125515 125515 3201788 0-0 0.978 10.03 -1.2 89 86 84 94 262 6.1 1.017 -0.021 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN VEN77_S6-N1002 Glycerol 10.1180 1269.5 2.8 scans 95% TIC 0.061% 0.421% 383 1.0 452 443414 3836172 3744739 1-1 0.990 10.09 1.5 100 99 96 100 299 265.5 34.643 0.024 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN TAB_REP6-N1014 Maleic acid 10.6283 1299.3 2.7 scans 95% 147 m/z 0.26% 0.0974% 432 1.0 222 100627 0.582% 886799 870237 5293865 2-1 20: 147 73 245 148 75 83 149 133 246 74 115 84 59 143 170 104 126 155 61 54 0.996 10.60 1.5 97 95 97 100 245 48.9 4.871 0.026 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7714 1307.9 2.8 scans 96% TIC 0.044% 0.604% 445 1.0 530 609462 5501614 5312235 1-2 0.991 10.76 0.8 99 97 96 99 251 119.8 5.116 0.013 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1168 Glyceric acid 11.0439 1324.3 2.5 scans 97% 73 m/z 0.11% 0.346% 471 1.0 435 244613 3152961 2989593 2-1 20: 73 147 292 189 133 103 205 293 117 102 190 75 148 307 74 59 294 149 101 191 0.999 11.05 -0.6 100 99 99 100 292 128.4 8.734 -0.010 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.1070 1328.1 2.8 scans 76% TIC 7.4% 0.00607% 477 1.0 59 3624 0.290% 55214 54241 2637837 0-1 0.983 11.06 2.6 92 92 88 95 285 16.8 8.059 0.044 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN TAB_REP6-N1018 Uracil 11.1649 1331.6 2.5 scans 51% 241 m/z 15% 0.00189% 483 1.3 31 1775 17251 17251 0-1 5: 241 255 99 256 242 0.918 11.15 1.0 94 97 96 97 256 10.5 11.224 0.017 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1162 Fumaric acid 11.3785 1344.5 2.5 scans 93% 245 m/z 0.35% 0.0760% 503 1.0 204 77307 691599 624605 3-2 20: 245 147 73 246 75 143 83 247 133 148 149 155 74 84 115 53 61 59 58 157 0.996 11.39 -0.8 100 99 98 99 245 110.9 29.549 -0.015 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4763 1350.4 3.9 scans 58% 57 m/z (84) 2.0% 0.0200% 512 0.7 81 13474 0.0229% 181980 171881 208298 0-1 10: 57 97 145 115 127 129 69 111 109 71 0.987 11.45 1.9 90 91 94 97 145 23.0 8.043 0.030 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN WTF2-N1024 Contamination 10.96min 11.5047 1352.1 3.3 scans 87% TIC 0.31% 0.117% 515 0.7 212 85768 0.183% 1064865 970023 1664566 2-3 0.971 10.96 33.1 95 97 95 99 161 49.0 5.347 0.549 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN TAB_REP6-N1020 Serine 11.5195 1352.9 2.7 scans 9.7% 204 m/z (84) 5.6% 0.00729% 516 1.0 59 4766 66327 63367 1-1 5: 204 218 194 278 205 0.863 11.51 0.3 80 82 77 91 306 6.2 1.108 0.006 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1160 Serine 11.5195 1352.9 2.7 scans 9.6% 204 m/z 5.7% 0.00710% 516 1.0 59 4682 64617 61733 1-1 5: 204 218 194 278 205 0.780 11.56 -2.3 81 81 72 88 306 5.9 0.989 -0.038 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN BRA4_R~2-N1008 Thymine 11.6089 1358.3 3.4 scans 40% 255 m/z 14% 0.00104% 525 0.6 21 1856 9515 9515 0-0 1: 255 0.975 11.58 1.5 84 93 71 92 270 8.9 18.091 0.025 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1154 Threonine 11.9267 1377.5 2.9 scans 82% TIC 3.6% 0.0106% 555 0.9 73 7480 0.0174% 97237 93889 158270 1-1 0.986 11.96 -2.0 90 89 86 90 320 5.9 0.652 -0.033 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2809 1461.7 3.0 scans 78% TIC 3.6% 0.00898% 684 1.4 68 7370 0.0481% 81739 81739 437517 0-0 0.977 13.31 -1.6 90 89 84 93 349 8.4 1.519 -0.025 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1146 Malic acid 13.5555 1479.0 2.4 scans 99% 73 m/z 0.018% 2.02% 710 0.5 1017 1449437 18391487 18379494 1-0 20: 73 147 233 245 133 189 148 190 75 191 175 74 55 149 335 101 234 217 265 59 0.998 13.62 -3.8 100 99 99 99 350 26.1 0.066 -0.062 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1142 Erythritol/Threitol 13.8312 1496.4 2.7 scans 94% TIC 0.58% 0.0611% 736 1.2 180 46420 0.0739% 555764 537680 672194 1-0 0.996 13.89 -3.7 91 87 92 98 320 14.5 0.654 -0.059 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0300 1509.4 3.2 scans 91% TIC 0.47% 0.0633% 755 1.0 168 57523 576015 562726 0-1 0.989 14.03 0.1 99 98 98 98 258 32.7 3.812 0.000 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1134 GABA 14.1826 1519.5 2.9 scans 36% 174 m/z 7.1% 0.00439% 770 1.3 45 3794 40006 36272 1-1 3: 174 304 175 0.739 14.24 -3.9 82 84 64 88 304 16.3 13.134 -0.059 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3573 1531.1 2.6 scans 67% 292 m/z 2.6% 0.0140% 786 1.1 88 10400 128046 128046 0-1 8: 292 205 220 293 221 294 206 102 0.971 14.69 -22.1 95 96 89 95 409 7.3 0.690 -0.335 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6045 1547.4 2.7 scans 90% 73 m/z 1.2% 0.0287% 810 1.1 120 21613 261297 249151 1-1 20: 73 292 147 220 205 117 294 221 103 74 148 319 133 291 102 75 149 409 206 222 0.999 14.62 -1.2 97 96 95 97 409 8.8 0.538 -0.016 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7360 1556.2 2.9 scans 59% 174 m/z 1.6% 0.0184% 822 0.9 95 16490 167792 156012 1-1 12: 174 86 176 175 100 250 59 130 65 162 117 131 0.930 14.16 37.9 92 96 90 99 250 16.0 2.880 0.571 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3747 1598.5 2.8 scans 76% 217 m/z 1.6% 0.0109% 883 1.1 85 16775 0.0184% 99797 99797 167366 0-0 10: 217 73 218 219 230 129 103 133 189 74 0.985 15.44 -4.5 94 94 91 95 393 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN TAB_REP6-N1038 Xylose 15.8840 1633.8 >3 scans 61% 73 m/z 5.5% 0.00826% 931 1.3 61 4897 0.0681% 75177 74882 619437 1-0 6: 73 217 103 307 218 308 0.975 15.89 -0.4 88 86 83 94 307 16.9 7.637 -0.006 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN TAB_REP6-N1040 Xylose 15.9987 1641.8 2.8 scans 89% 73 m/z 0.98% 0.0363% 942 1.1 140 27623 0.0995% 330962 330334 905051 1-1 20: 73 103 217 307 147 160 308 218 189 277 74 133 191 117 309 104 204 205 129 89 0.993 16.00 -0.3 97 96 96 98 307 37.0 6.993 -0.005 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN TAB_REP6-N1042 Ribose 16.0965 1648.6 2.9 scans 88% 73 m/z 1.2% 0.0300% 951 1.0 121 22194 0.0886% 273727 270877 805905 2-0 20: 73 103 307 217 147 277 308 189 160 218 74 133 89 205 117 59 309 105 104 75 0.993 16.10 -0.4 96 94 95 98 307 33.7 7.803 -0.006 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2186 1657.1 3.1 scans 72% 290 m/z 1.1% 0.0243% 963 1.9 98 24123 221655 208471 1-5 10: 290 291 158 292 392 117 144 131 100 393 0.943 16.28 -4.0 98 97 93 99 392 14.7 2.237 -0.057 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6069 1684.0 2.8 scans 89% 73 m/z 1.0% 0.0397% 1000 1.3 141 24822 0.0512% 361390 346444 465715 1-0 20: 73 319 307 147 217 103 308 205 320 129 306 218 309 321 277 117 229 243 74 157 0.996 16.68 -4.8 99 98 97 99 497 3.8 0.072 -0.069 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1104 Rhamnose 16.8667 1702.2 3.4 scans 73% TIC 3.6% 0.0101% 1025 1.0 68 7508 0.140% 91933 91933 1273438 0-0 0.965 16.93 -4.7 81 81 82 84 392 8.8 1.656 -0.065 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9225 1706.2 3.2 scans 78% 73 m/z 1.4% 0.0271% 1030 1.1 122 19359 0.136% 247073 247073 1237054 0-0 20: 73 318 147 246 205 319 103 307 320 133 129 218 230 148 247 74 189 206 131 72 0.991 16.99 -4.9 90 90 90 89 422 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9899 1711.2 3.2 scans 88% TIC 0.89% 0.0538% 1036 1.5 157 30414 0.192% 490063 488895 1746430 0-1 0.994 17.06 -5.3 97 97 95 97 510 0.0 0.000 -0.072 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1098 UNKp_Cas 17.1min 1723 17.0898 1718.5 3.1 scans 46% 73 m/z 6.0% 0.00308% 1046 1.6 46 4472 0.0459% 28078 27434 417506 0-1 7: 73 392 302 89 163 276 393 0.900 17.16 -4.9 80 79 44 86 436 3.4 0.553 -0.068 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1096 Putrescine 17.1835 1725.3 2.9 scans 41% 174 m/z 1.7% 0.0111% 1055 1.1 71 15766 101186 99629 0-1 10: 174 175 214 176 86 200 172 100 130 361 0.984 17.25 -4.7 97 97 94 97 458 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5612 1752.9 2.9 scans 94% 217 m/z 0.14% 0.235% 1091 0.9 328 186431 0.261% 2144538 2015869 2374053 5-1 20: 217 73 218 147 219 74 75 133 232 129 451 148 189 257 149 169 231 143 72 59 0.997 17.63 -5.1 97 96 96 98 450 40.8 1.549 -0.071 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6927 1762.5 4.0 scans 77% TIC 1.1% 0.0494% 1103 0.6 135 22890 0.111% 449648 431332 1009655 1-0 0.975 17.70 -0.4 96 97 92 96 375 14.9 1.212 -0.006 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1086 Fructofuranose 18.0641 1789.6 3.1 scans 93% TIC 0.067% 0.744% 1138 1.2 556 404505 1.17% 6776374 6235554 10642306 1-0 0.987 18.13 -5.0 94 92 92 97 437 162.8 8.601 -0.070 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1084 Shikimic acid 18.1252 1794.0 3.1 scans 24% 204 m/z 0.49% 0.0394% 1144 1.0 132 54588 0.0517% 358845 334057 470263 0-4 16: 204 357 255 206 372 254 282 356 373 462 358 195 359 283 181 463 0.687 18.20 -5.2 96 97 94 98 462 14.7 1.242 -0.072 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1076 Pregnane?? 18.7796 1843.7 5.0 scans 96% 345 m/z 0.069% 1.13% 1206 1.8 558 391955 10323092 10044637 1-1 20: 345 73 255 346 147 347 204 256 334 191 419 74 372 148 435 257 133 75 348 239 0.999 18.86 -6.0 100 99 99 100 537 40.9 0.539 -0.078 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1072 Fructose 19.0090 1861.2 >7 scans 97% 73 m/z 0.011% 11.4% 1228 0.4 1509 2341159 28.9% 104534828 102656885 262874060 1-0 20: 73 307 217 103 147 277 218 133 364 189 74 219 104 148 89 172 75 204 129 365 0.997 19.03 -1.8 100 99 99 100 364 175.5 1.359 -0.024 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN TAB_REP6-N1050 Fructose 19.0553 1864.7 10.9 scans 90% 73 m/z 0.012% 5.88% 1233 0.6 1483 2225643 26.3% 53556045 53556045 239224490 0-0 20: 73 103 217 307 147 308 277 218 133 205 309 189 364 74 104 117 219 89 172 148 1.000 18.98 5.7 100 99 99 99 364 167.4 1.279 0.075 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1070 Fructose 19.1679 1873.3 7.5 scans 86% 364 m/z 0.014% 8.06% 1243 0.3 1421 1829624 24.0% 73321343 73321343 218303718 0-0 20: 364 333 279 310 119 276 134 135 466 337 433 174 311 193 208 344 345 242 254 289 1.000 19.19 -2.0 99 97 97 99 554 80.5 0.322 -0.026 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN TAB_REP6-N1052 Fructose 19.1753 1873.9 7.5 scans 100% 73 m/z 0.011% 11.8% 1244 0.2 1553 2332392 42.9% 108011590 107794708 390217895 0-1 20: 73 103 74 75 335 149 105 59 206 101 100 145 118 84 114 116 113 130 58 177 0.998 19.10 5.5 100 99 98 99 364 182.1 1.380 0.071 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1068 Galactopyranose 19.2584 1880.2 >5 scans 58% 204 m/z 0.20% 0.148% 1252 1.2 267 133594 5.96% 1354130 1354130 54212090 0-0 18: 204 191 73 147 205 217 192 206 435 193 129 243 361 305 345 218 393 394 0.995 19.32 -4.3 96 95 94 97 435 20.5 0.590 -0.057 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1066 Glucose 19.3752 1889.1 8.7 scans 43% 319 m/z (73) 0.010% 6.08% 1263 0.5 1070 2490559 7.05% 55339219 52787901 64126717 1-0 20: 319 320 321 291 277 149 292 262 221 163 300 323 265 465 309 247 222 198 359 257 0.950 19.40 -1.8 82 84 67 84 319 629.3 34.693 -0.024 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN TAB_REP6-N1056 Glucose 19.3752 1889.1 8.7 scans 72% 319 m/z (205) 0.010% 10.1% 1263 0.5 1384 2507658 11.8% 92537620 88271336 107332661 1-0 20: 319 320 321 291 277 149 292 262 221 163 300 323 265 465 309 247 222 198 359 257 0.991 19.33 3.3 82 83 76 83 364 104.0 0.567 0.043 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1064 Mannose 19.4025 1891.2 8.4 scans 96% 73 m/z 0.010% 15.1% 1266 0.1 1649 2565451 138157965 134408680 5-1 19: 73 319 205 147 160 217 103 117 206 133 229 129 157 74 189 148 75 161 89 1.000 19.45 -4.0 100 99 98 99 319 626.6 14.493 -0.052 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1062 Glucose 19.5940 1906.1 2.9 scans 95% TIC 0.013% 4.73% 1284 0.4 1454 2067455 43041784 39329519 2-1 0.999 19.66 -5.0 100 99 99 99 319 571.7 15.524 -0.062 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7266 1916.8 4.0 scans 50% TIC 3.2% 0.00886% 1296 1.8 76 8436 0.101% 80631 80631 918695 0-0 0.875 19.79 -5.1 90 91 80 91 434 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1056 Ascorbic acid 19.9139 1931.8 2.8 scans 83% TIC 0.63% 0.0762% 1314 1.1 186 42907 0.166% 693127 592279 1509934 1-2 0.978 19.99 -5.9 83 80 82 88 449 13.8 0.548 -0.072 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2906 1962.1 2.3 scans 97% 204 m/z 0.043% 0.721% 1350 0.9 655 629183 6559861 6368627 1-1 20: 204 73 191 147 205 217 206 192 129 189 133 74 218 103 148 75 193 117 305 435 1.000 20.41 -9.9 99 98 98 99 217 138.5 4.492 -0.123 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN WTF2-N1038 C16:0 21.1366 2031.5 2.7 scans 87% TIC 1.7% 0.0321% 1430 1.1 128 15773 0.0327% 292633 287722 297439 2-2 0.976 20.62 43.2 90 95 93 97 328 12.9 1.020 0.520 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.7048 2079.2 6.7 scans 99% 432 m/z 0.012% 12.5% 1484 0.2 1652 2228718 114029728 113749865 2-0 20: 432 320 434 368 321 395 343 309 392 294 379 278 380 421 329 522 371 136 597 347 0.998 21.75 -3.7 100 100 99 100 507 123.6 0.561 -0.044 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN INOSIT~1-N1022 myo-Inositol 21.7048 2079.2 6.7 scans 11% 432 m/z (305) 0.10% 1.44% 1484 0.2 561 263630 13157268 13124976 2-0 20: 432 320 434 368 321 395 343 309 392 294 379 278 380 421 329 522 371 136 597 347 0.529 21.74 -3.1 94 96 87 99 507 124.3 4.914 -0.036 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1042 myo-Inositol 21.7111 2079.8 6.6 scans 96% 308 m/z (432) 0.011% 12.1% 1485 0.2 1649 2361012 110962118 110802477 1-0 20: 308 369 417 420 331 295 407 406 141 396 83 332 76 178 70 381 233 224 408 195 0.997 21.77 -5.3 94 94 96 98 318 457.4 7.712 -0.063 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8594 2092.2 2.9 scans 96% 73 m/z 0.10% 0.525% 1499 1.0 497 271163 4781746 4583685 1-2 20: 73 319 205 147 320 217 103 321 262 117 206 204 74 89 229 133 148 157 291 129 0.999 21.93 -5.9 95 92 96 99 656 11.2 0.051 -0.071 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1856 2120.4 2.5 scans 95% 396 m/z 0.21% 0.238% 1530 1.1 373 128796 0.293% 2171653 2109870 2665125 1-0 20: 396 73 219 397 319 381 398 191 220 307 147 205 293 382 103 249 75 320 74 217 0.999 22.19 -0.1 93 89 87 100 396 140.0 14.084 -0.000 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6507 2161.0 3.2 scans 92% 204 m/z 0.67% 0.0565% 1574 1.2 158 40068 0.165% 513962 497538 1500838 1-0 20: 204 73 205 147 217 361 145 117 249 191 206 74 131 75 219 263 129 218 362 363 0.997 22.71 -5.5 94 91 93 98 518 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN WTF2-N1036 C18:0 23.3777 2225.7 2.7 scans 89% 341 m/z 2.1% 0.0264% 1643 1.4 111 12440 0.0297% 240458 223664 270151 1-5 20: 341 117 73 75 132 342 129 145 55 356 57 69 83 343 131 74 201 130 185 116 0.994 22.89 43.9 90 95 92 95 356 15.2 1.850 0.489 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1048 2292.1 2.7 scans 61% 204 m/z 6.4% 0.00515% 1712 1.5 46 4210 0.0115% 46908 39718 104604 1-1 4: 204 337 205 103 0.929 24.01 8.6 82 81 78 87 490 0.0 0.000 0.095 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6372 2342.4 3.5 scans 74% 73 m/z 3.2% 0.0185% 1763 0.6 79 8349 0.0314% 168893 162539 285614 3-1 17: 73 191 421 331 147 262 307 305 319 217 103 205 332 333 259 422 89 0.933 24.65 -1.2 90 91 85 90 466 4.7 0.346 -0.013 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7298 2351.2 2.7 scans 86% 73 m/z 2.3% 0.0212% 1772 1.0 104 11548 193136 174762 1-4 20: 73 217 204 147 305 292 103 451 205 218 129 293 133 306 376 74 101 206 143 191 0.994 24.81 -7.2 90 90 88 90 451 12.6 1.456 -0.075 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5185 2527.4 2.7 scans 74% 512 m/z 0.78% 0.0754% 1942 0.9 196 34661 685925 685344 0-1 19: 512 455 247 513 456 514 483 57 349 457 263 219 248 484 497 203 423 249 409 0.930 26.57 -5.7 99 99 92 99 512 69.3 12.501 -0.054 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1020 Sucrose 27.3940 2618.5 12.6 scans 10% 437 m/z (361) 0.045% 1.95% 2025 1.9 515 591422 2.09% 17794448 17085433 19010615 1-0 20: 437 438 439 452 364 453 365 441 144 373 374 239 322 201 356 294 379 162 482 396 0.745 27.46 -7.1 95 97 89 99 437 306.7 35.607 -0.067 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1014 Sucrose 27.3971 2618.8 12.7 scans 89% 451 m/z 0.0082% 16.1% 2025 1.9 1475 3300662 17.5% 146455807 140646636 159179794 1-0 20: 451 331 364 453 365 332 257 321 291 246 450 333 144 292 434 374 239 207 201 265 0.997 27.49 -9.9 100 100 99 100 437 309.9 4.449 -0.093 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1018 Sucrose 27.4077 2619.9 12.7 scans 72% 218 m/z (217) 0.0079% 14.2% 2026 1.4 1338 3432531 15.6% 129214328 123754856 141897416 1-0 20: 218 189 205 204 244 245 345 192 155 233 220 173 260 145 304 194 185 202 308 67 0.969 27.47 -6.6 88 90 75 90 437 311.3 5.447 -0.062 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1010 Sucrose 27.4087 2620.0 12.7 scans 98% TIC 0.0080% 20.5% 2026 1.4 1566 3369523 186943530 186878274 1-0 0.999 27.58 -18.2 100 99 99 99 437 298.0 3.643 -0.170 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1016 Sucrose 27.4340 2622.7 12.4 scans 36% 103 m/z (361) 0.027% 6.33% 2029 0.5 931 977358 7.46% 57596549 55348322 67856072 1-0 2: 103 131 0.929 27.48 -4.6 85 90 91 92 437 16.8 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1008 Sucrose 27.4634 2625.9 >3 scans 97% 149 m/z 0.0093% 5.77% 2032 4.3 1468 2899680 19.6% 52531559 52531559 178281369 0-0 7: 149 157 440 158 187 159 120 1.000 27.59 -13.6 100 99 98 99 437 266.5 3.312 -0.128 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN TAB_REP6-N1070 Sucrose 27.4834 2628.0 >2 scans 55% 361 m/z (149) 0.010% 1.56% 2034 1.7 1078 2657842 10.8% 14274604 14274604 98236673 0-0 20: 361 362 217 363 271 437 319 243 218 451 331 272 320 364 219 257 204 231 229 205 0.972 27.41 7.9 89 89 78 95 451 0.0 0.000 0.073 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN LQC1-N1006 Trehalose 28.3704 2723.9 >3 scans 42% TIC 9.2% 0.00152% 2118 1.4 36 2940 0.0398% 13880 13880 362020 0-0 0.886 28.47 -11.0 85 86 56 87 565 0.0 0.000 -0.098 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN GUA35_L1-N1020 Galactinol 30.5926 2978.0 2.8 scans 89% TIC 1.0% 0.0358% 2329 1.6 128 26243 0.0381% 326264 283742 346557 2-6 0.997 30.55 5.6 82 80 92 82 641 0.0 0.000 0.048 G:\GCMS data\Nicotiana Panel polar\P_Blab_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6427 3102.7 3.4 scans 81% 204 m/z 3.4% 0.0136% 2429 1.3 73 7851 0.0603% 123724 110825 548488 4-3 15: 204 217 597 205 129 361 103 191 337 598 243 219 599 218 206 0.987 31.68 -3.9 91 90 86 90 597 13.9 3.618 -0.032 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN EXBLK5S-N1006 Contamination 6.6110 1062.5 3.8 scans 66% 207 m/z 1.2% 0.0616% 50 1.4 92 21552 0.109% 384825 230645 680069 7-17 13: 207 73 295 208 191 296 297 189 279 177 193 133 210 0.972 6.63 -0.8 98 98 92 98 295 28.0 9.333 -0.014 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1194 Alanine 7.4233 1110.6 13.9 scans 63% TIC 4.0% 0.0301% 127 1.2 57 6717 0.0537% 188407 188407 335043 0-0 0.967 7.40 1.1 84 82 82 92 283 0.0 0.000 0.019 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN A-KETO~2-N1006 Contamination?? 7.9694 1143.0 2.6 scans 78% 156 m/z 3.9% 0.0103% 179 1.2 57 6764 0.0128% 64301 61593 79861 10-2 5: 156 75 55 157 54 0.993 7.96 0.8 98 98 95 98 156 30.5 28.570 0.012 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1192 Contamination 8.0494 1147.7 2.7 scans 59% 147 m/z 6.0% 0.00768% 187 1.1 52 4438 0.0144% 47943 46473 89844 0-1 9: 147 73 133 220 235 72 146 59 148 0.903 7.99 3.5 89 92 84 91 235 10.2 3.911 0.060 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN WTF2-N1026 Cadaverine NC 8.1904 1156.1 7.2 scans 63% TIC 7.1% 0.00428% 200 0.9 36 3799 0.0245% 26721 26721 152860 0-0 0.989 7.74 26.9 87 89 80 89 216 9.3 6.771 0.454 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1188 Contamination 8.3756 1167.1 6.0 scans 86% 281 m/z 1.7% 0.0549% 218 1.6 93 15476 0.0729% 342582 342582 454835 0-0 15: 281 73 369 282 147 283 191 266 371 265 251 193 149 207 74 0.993 8.41 -2.3 99 98 83 99 369 26.5 8.042 -0.039 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1186 Phosphate 8.5881 1179.7 2.6 scans 56% 241 m/z 4.9% 0.00571% 238 1.0 43 5405 35662 35662 1-0 6: 241 242 211 133 163 243 0.932 8.56 1.7 89 89 76 94 299 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1184 Valine 9.1994 1215.7 5.7 scans 71% 144 m/z 3.9% 0.0142% 296 0.4 48 6789 0.0169% 88760 86560 105442 3-0 4: 144 73 218 145 0.975 9.19 0.7 93 94 87 93 218 15.7 10.844 0.011 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1180 Benzoic acid 9.7676 1249.0 3.3 scans 60% 179 m/z 13% 0.00421% 350 0.5 30 2013 0.00435% 26326 24902 27140 1-0 4: 179 135 105 77 0.810 9.76 0.5 87 88 78 94 194 4.2 1.964 0.009 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1178 Ethanolamine 9.9991 1262.5 4.9 scans 84% TIC 2.3% 0.0310% 372 0.9 72 11550 0.694% 193914 179358 4329981 1-0 0.983 10.03 -2.0 91 88 87 94 262 7.3 1.018 -0.035 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN VEN77_S6-N1002 Glycerol 10.0938 1268.0 2.6 scans 94% TIC 0.048% 0.737% 381 0.9 471 555015 4600727 4477179 1-2 0.986 10.09 0.0 100 99 96 100 299 275.9 34.417 -0.000 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN A-AMYRIN-N1012 Contamination?? 10.2537 1277.4 2.8 scans 71% 73 m/z 4.5% 0.00714% 396 1.0 46 5915 44598 40742 1-4 4: 73 198 77 211 0.947 10.24 0.8 84 83 81 88 381 4.3 0.866 0.014 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1176 Isoleucine 10.4431 1288.5 3.4 scans 29% 158 m/z 4.6% 0.00526% 414 0.8 34 5751 0.00771% 32817 30282 48104 2-0 4: 158 159 218 232 0.978 10.46 -0.9 84 84 60 84 260 0.0 0.000 -0.016 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1012 Proline 10.5347 1293.8 3.0 scans 95% 142 m/z 0.083% 0.441% 423 0.5 318 324108 1.74% 2751858 2524780 10856148 4-0 20: 142 73 143 216 147 144 72 74 59 75 217 100 66 133 148 218 131 58 70 170 0.992 10.53 0.0 100 98 99 100 216 60.4 3.615 0.002 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1014 Maleic acid 10.6125 1298.4 2.6 scans 96% 147 m/z 0.074% 0.466% 430 0.8 381 363023 1.68% 2912016 2868928 10481798 0-6 20: 147 73 245 148 75 83 149 74 133 115 143 246 84 59 58 170 126 61 72 247 0.998 10.60 0.6 99 98 98 99 245 85.2 5.024 0.011 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1170 Glycine 10.6683 1301.7 >5 scans 54% TIC 2.2% 0.0107% 435 0.8 70 11747 1.29% 66845 66845 8048524 0-0 0.983 10.69 -1.1 91 90 85 92 276 10.7 2.318 -0.019 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7567 1307.0 2.8 scans 96% TIC 0.031% 1.26% 444 0.8 588 868703 7906351 7644174 1-1 0.992 10.76 -0.1 99 97 96 100 251 130.7 4.968 -0.001 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1168 Glyceric acid 11.0355 1323.8 2.7 scans 98% 73 m/z 0.049% 1.34% 470 0.6 620 549570 8392773 8136587 1-1 20: 73 147 292 189 133 103 205 293 117 102 148 190 307 75 74 59 294 149 101 191 0.999 11.05 -1.1 100 99 99 100 292 188.0 9.213 -0.018 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0881 1327.0 2.7 scans 56% 184 m/z 10% 0.00523% 475 1.0 39 2623 0.0223% 32656 30166 139133 0-1 6: 184 134 285 174 77 86 0.935 11.06 1.5 90 91 70 91 285 13.6 11.954 0.025 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1018 Uracil 11.1439 1330.3 2.8 scans 55% 241 m/z 17% 0.00290% 481 1.3 29 1519 0.00300% 18113 18113 18717 0-0 4: 241 99 255 256 0.916 11.15 -0.3 92 95 94 97 256 10.6 12.980 -0.004 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1162 Fumaric acid 11.3691 1343.9 2.4 scans 97% 245 m/z 0.11% 0.311% 502 0.9 331 228722 1941320 1932749 1-0 20: 245 147 73 246 75 143 83 247 133 148 149 84 74 115 53 155 59 61 127 58 1.000 11.39 -1.4 99 98 98 99 245 177.1 28.716 -0.024 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4606 1349.4 3.8 scans 41% 57 m/z (204) 2.1% 0.0239% 511 0.8 72 12751 0.0384% 149122 145549 239584 1-0 11: 57 145 97 115 56 127 69 109 111 129 128 0.995 11.45 0.9 92 93 94 96 145 22.1 9.525 0.015 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN WTF2-N1024 Contamination 10.96min 11.4806 1350.6 3.1 scans 53% 84 m/z 0.96% 0.0449% 513 1.2 105 28087 0.0530% 280367 255352 330676 4-3 16: 84 162 161 92 119 65 51 78 118 82 63 91 106 64 93 62 0.942 10.96 31.6 87 90 89 95 161 26.3 6.195 0.525 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1160 Serine 11.5090 1352.3 3.1 scans 87% TIC 0.36% 0.236% 515 0.6 224 73803 0.521% 1475695 1355167 3250605 5-2 0.966 11.56 -2.9 99 98 95 98 306 22.3 0.991 -0.048 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1020 Serine 11.5100 1352.4 2.7 scans 87% 204 m/z 0.35% 0.171% 515 1.0 223 75482 1071467 1039319 3-1 20: 204 73 218 205 100 147 278 219 206 116 75 74 306 220 59 189 132 216 103 101 0.989 11.51 -0.2 100 99 98 99 306 22.6 1.028 -0.003 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN BRA4_R~2-N1008 Thymine 11.5942 1357.4 3.2 scans 56% 255 m/z 9.4% 0.00277% 523 1.0 27 2843 17321 17321 1-0 3: 255 256 270 0.930 11.58 0.6 96 97 80 97 270 10.0 14.026 0.010 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1024 Threonine 11.9162 1376.8 2.6 scans 94% 73 m/z 0.61% 0.0878% 554 1.1 167 43690 0.0911% 548170 503385 568388 1-6 20: 73 218 219 117 291 292 101 147 220 203 75 57 100 74 293 128 133 202 132 221 0.999 11.92 -0.3 100 99 98 99 320 15.0 0.808 -0.005 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2746 1461.3 2.7 scans 53% 247 m/z (155) 2.6% 0.0208% 683 1.2 79 10302 130277 128317 0-1 11: 247 248 115 259 203 321 233 69 217 349 249 0.972 13.31 -2.0 93 95 91 95 349 9.2 1.375 -0.031 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1148 Glutamine?? 13.2935 1462.5 2.6 scans 84% 155 m/z 0.64% 0.0570% 685 0.9 136 41756 355645 343213 2-1 18: 155 156 229 139 59 100 157 84 257 72 230 132 103 56 98 158 140 54 0.984 13.35 -3.4 98 98 96 98 257 11.0 0.660 -0.053 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1146 Malic acid 13.5860 1480.9 4.0 scans 97% 73 m/z 0.010% 7.99% 713 0.3 1264 2476097 49899237 46644500 1-1 20: 73 147 233 245 133 189 190 148 75 191 175 74 335 101 149 55 234 265 217 131 0.999 13.62 -1.9 100 100 100 100 350 33.5 0.070 -0.031 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1026 Malic acid 13.5860 1480.9 4.0 scans 81% 73 m/z (305) 0.011% 6.89% 713 0.3 1158 2267623 42989783 40185724 1-1 20: 73 147 233 245 133 189 190 148 75 191 175 74 335 101 149 55 234 265 217 131 0.958 13.53 3.3 89 94 91 91 335 78.9 0.000 0.053 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1144 Contamination Parabanica acid 13.7586 1491.8 3.4 scans 48% TIC 14% 0.00209% 729 1.2 35 1838 4.08% 13075 13075 25455796 0-0 0.874 13.81 -3.0 85 87 72 88 243 12.6 13.173 -0.047 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1140 Aspartic acid 14.0185 1508.6 2.5 scans 51% 232 m/z (156) 0.55% 0.0800% 754 1.1 160 48522 499528 478901 1-1 14: 232 218 100 233 202 234 188 216 334 101 204 292 221 349 0.921 14.09 -4.5 95 98 90 97 349 8.5 0.281 -0.069 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1028 Aspartic acid 14.0185 1508.6 2.5 scans 34% 232 m/z 0.55% 0.0525% 754 1.1 130 48445 327644 314115 1-1 14: 232 218 100 233 202 234 188 216 334 101 204 292 221 349 0.722 14.02 0.1 94 94 84 98 258 5.1 0.000 0.001 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0395 1510.0 4.1 scans 85% TIC 0.20% 0.279% 756 0.6 245 131247 1744064 1695171 1-1 0.968 14.03 0.7 98 97 98 99 258 44.9 3.365 0.010 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0416 1510.1 2.9 scans 89% 156 m/z 0.17% 0.221% 756 0.8 250 156347 1384677 1311335 1-1 17: 156 157 147 230 258 158 140 259 231 72 58 112 55 86 121 84 85 0.985 14.11 -4.6 99 98 97 99 273 9.7 0.152 -0.068 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1032 GABA 14.1837 1519.5 2.7 scans 91% 174 m/z (226) 0.73% 0.0841% 770 1.3 147 36662 0.101% 524944 483511 630156 1-5 19: 174 304 73 147 175 305 86 176 59 216 306 100 143 130 246 142 172 74 133 1.000 14.19 -0.3 98 99 98 99 304 44.6 9.135 -0.004 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6140 1548.1 2.5 scans 97% 73 m/z 0.045% 1.30% 810 0.7 635 594055 8159958 7807311 1-1 20: 73 292 147 220 205 293 217 117 103 148 221 294 133 74 319 149 291 75 206 102 1.000 14.69 -5.1 100 99 98 99 409 47.6 0.564 -0.078 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7340 1556.0 2.8 scans 74% 174 m/z 1.0% 0.0478% 822 1.0 118 26652 298248 294383 0-1 16: 174 86 175 176 250 100 59 65 130 251 117 121 131 144 87 158 0.904 14.16 37.7 90 92 89 99 250 20.6 3.012 0.569 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1126 Pyrazine 15.0644 1577.9 2.9 scans 67% TIC 5.7% 0.00869% 853 1.3 51 4677 0.0391% 54232 52438 243951 0-2 0.884 15.13 -4.5 91 93 80 92 344 14.7 8.387 -0.068 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3695 1598.2 2.7 scans 72% 217 m/z 2.2% 0.0131% 882 1.1 68 12082 0.0179% 82216 82216 111681 0-0 3: 217 218 219 0.985 15.44 -4.8 93 92 89 94 393 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1036 Glutamic acic 15.4937 1606.7 2.7 scans 70% TIC 6.5% 0.00546% 894 0.8 44 4109 0.0271% 34080 34080 169081 0-0 0.954 15.50 -0.7 95 95 94 98 363 3.7 0.715 -0.009 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1118 Phenylalanine 15.5978 1613.9 2.6 scans 58% 218 m/z (267) 3.8% 0.0135% 904 1.1 64 7081 84631 79854 1-2 7: 218 192 91 219 266 100 220 0.982 15.66 -4.3 89 91 84 93 294 4.7 0.529 -0.061 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1038 Xylose 15.8777 1633.4 3.0 scans 74% 73 m/z 3.8% 0.0154% 931 1.9 60 7057 96125 90006 1-2 9: 73 217 103 307 218 308 147 189 191 0.960 15.89 -0.8 92 91 86 95 307 15.8 6.924 -0.012 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1040 Xylose 15.9945 1641.5 2.5 scans 92% 73 m/z 0.79% 0.0639% 942 1.1 144 34156 399127 381945 1-1 20: 73 103 307 217 147 160 308 277 189 117 218 204 133 205 74 309 104 89 59 234 0.994 16.00 -0.6 99 98 98 99 307 37.2 6.705 -0.009 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1042 Ribose 16.0924 1648.3 2.8 scans 84% 73 m/z 2.1% 0.0219% 951 0.7 84 12641 0.125% 137009 135941 779896 1-0 15: 73 103 307 217 147 189 308 160 277 74 218 309 104 99 89 0.993 16.10 -0.7 96 95 94 97 307 23.2 7.689 -0.011 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2155 1656.8 2.9 scans 76% 290 m/z 1.1% 0.0389% 963 1.7 95 22565 242865 239954 0-3 9: 290 291 292 392 158 144 393 131 115 0.812 16.28 -4.3 96 95 88 99 392 14.9 2.452 -0.061 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6006 1683.6 2.9 scans 87% TIC 1.8% 0.0407% 999 2.4 96 14492 0.0488% 254036 254036 304471 0-0 0.992 16.68 -5.2 98 97 94 97 497 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9120 1705.5 3.0 scans 77% 73 m/z 2.5% 0.0203% 1029 1.6 81 10431 0.127% 127110 127110 792374 0-0 16: 73 217 147 103 319 205 307 318 218 204 129 189 320 308 148 74 0.970 16.99 -5.6 94 94 90 94 422 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9846 1710.8 2.9 scans 89% TIC 1.1% 0.0537% 1036 1.3 123 23098 0.185% 335646 335017 1154246 0-1 0.993 17.06 -5.7 96 95 94 95 510 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1044 Putrescine 17.1772 1724.8 2.6 scans 66% 174 m/z (73) 2.5% 0.0107% 1054 1.1 58 10708 67333 67103 1-0 8: 174 175 214 176 86 172 200 130 0.966 17.19 -0.8 86 87 85 92 376 0.0 0.000 -0.011 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1096 Putrescine 17.1772 1724.8 2.6 scans 55% 174 m/z 2.5% 0.00905% 1054 1.1 54 10752 56475 56282 1-0 8: 174 175 214 176 86 172 200 130 0.963 17.25 -5.2 92 91 88 93 458 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3645 1738.5 2.8 scans 65% 292 m/z 4.4% 0.0117% 1072 1.0 58 6030 73515 67265 5-0 7: 292 333 103 307 217 334 293 0.957 17.44 -5.8 91 91 85 91 511 3.6 0.391 -0.079 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5518 1752.2 2.7 scans 90% 217 m/z 0.33% 0.134% 1090 1.1 195 80093 0.274% 837495 745111 1709531 3-3 19: 217 73 218 147 219 75 74 129 230 133 215 244 191 148 451 149 305 232 231 0.994 17.63 -5.8 95 94 94 95 450 20.3 1.080 -0.080 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1088 Glutamine?? 17.6423 1758.8 >4 scans 65% TIC 2.5% 0.0288% 1098 1.3 87 10414 0.300% 179740 179740 1871750 0-0 0.984 17.73 -6.1 88 88 86 90 511 0.0 0.000 -0.084 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6854 1761.9 3.4 scans 75% 73 m/z 1.1% 0.0766% 1102 0.6 129 23163 0.255% 478472 424114 1590987 2-0 20: 73 334 204 256 129 257 335 147 183 167 217 149 151 285 75 258 267 211 143 133 0.966 17.70 -1.0 96 96 91 96 375 13.6 1.103 -0.014 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1086 Fructofuranose 18.0526 1788.7 3.2 scans 83% TIC 0.95% 0.0600% 1137 1.5 124 28347 0.258% 374691 358303 1609705 2-0 0.951 18.13 -5.9 96 95 90 97 437 34.0 7.537 -0.081 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1046 Shikimic acid 18.1147 1793.3 2.7 scans 72% 204 m/z 0.60% 0.0763% 1143 1.1 150 44541 476261 434308 6-1 14: 204 205 206 357 372 255 254 358 331 462 193 256 447 282 0.947 18.13 -0.7 96 96 93 98 372 18.4 1.512 -0.010 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1048 Citric acid 18.2367 1802.3 2.7 scans 63% 273 m/z 1.9% 0.0311% 1155 1.0 97 13651 0.0420% 194353 182934 262045 1-1 13: 273 363 347 375 364 221 211 257 348 376 183 466 67 0.963 18.24 -0.5 97 97 91 98 465 14.3 2.202 -0.007 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1076 Pregnane?? 18.8028 1845.4 3.7 scans 97% 345 m/z 0.0098% 7.42% 1209 0.3 1296 2753910 46338930 45218458 1-1 20: 345 73 346 255 147 347 334 191 204 256 435 372 419 133 257 148 239 74 348 75 0.997 18.86 -4.3 100 100 99 100 537 96.1 0.553 -0.055 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1074 Adenine 18.8691 1850.5 3.0 scans 17% 264 m/z 10% 0.00214% 1215 1.5 24 2528 0.0201% 13365 12194 125407 1-0 2: 264 279 0.984 18.94 -5.4 90 92 79 92 415 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1072 Fructose 18.9649 1857.8 3.7 scans 98% 73 m/z 0.024% 3.83% 1224 0.7 926 1117951 23944483 23640238 1-0 20: 73 307 217 103 147 308 218 277 133 309 364 74 205 117 189 219 104 89 148 75 1.000 19.03 -5.2 100 98 99 100 364 102.0 1.218 -0.068 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1052 Fructose 19.0953 1867.8 4.3 scans 95% 73 m/z 0.038% 2.72% 1236 0.5 726 700207 15.5% 16990747 16228736 96707067 2-6 20: 73 217 307 103 147 308 218 277 309 74 364 133 89 205 117 262 148 219 104 189 0.999 19.10 -0.6 100 99 100 100 364 79.1 1.192 -0.009 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1068 Galactopyranose 19.2195 1877.2 3.2 scans 78% 204 m/z 0.29% 0.173% 1248 1.0 231 91711 8.78% 1083891 1083891 54779874 0-0 13: 204 191 147 205 217 192 206 129 218 189 231 193 291 0.980 19.32 -7.3 96 95 92 97 435 14.9 0.417 -0.096 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1064 Mannose 19.3342 1886.0 5.9 scans 99% 322 m/z 0.010% 14.3% 1259 0.2 1446 2481842 14.5% 89537736 89294580 90467902 1-0 20: 322 366 464 309 301 265 264 465 193 209 223 448 332 324 286 280 257 107 393 391 0.996 19.45 -9.2 100 99 99 100 319 583.5 16.346 -0.121 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN BRA4_R~2-N1004 Galactose 19.3394 1886.4 5.6 scans 79% 319 m/z (322) 0.011% 11.7% 1260 0.2 1350 2412917 11.8% 73375922 73103572 73622155 2-0 20: 319 73 205 147 160 320 217 321 206 103 229 117 129 157 204 133 189 74 148 161 0.954 19.36 -1.7 92 97 92 95 364 51.1 0.000 -0.022 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1062 Glucose 19.5509 1902.6 2.7 scans 96% TIC 0.024% 3.10% 1280 0.5 929 1082500 19390042 18356761 1-1 0.992 19.66 -8.5 100 99 99 99 319 349.9 14.247 -0.105 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN BRA4_R~2-N1010 Tyrosine 19.7993 1922.6 3.0 scans 49% 218 m/z 4.1% 0.0100% 1303 1.3 54 6550 0.0125% 62540 62540 77990 0-0 6: 218 219 280 179 354 220 0.877 19.82 -1.5 85 86 68 92 382 6.4 1.412 -0.019 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1056 Ascorbic acid 19.8940 1930.2 2.8 scans 92% 73 m/z 0.46% 0.136% 1312 0.9 192 58215 0.192% 850361 767407 1197920 12-0 20: 73 332 147 333 205 374 117 334 359 345 133 361 149 74 449 148 331 259 304 206 0.995 19.99 -7.5 99 98 96 99 449 19.9 1.068 -0.092 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2780 1961.1 2.5 scans 96% 204 m/z 0.16% 0.315% 1349 1.0 319 166460 1965433 1913006 1-1 20: 204 73 191 147 205 217 206 192 74 218 129 189 133 103 75 193 148 149 117 435 0.999 20.41 -10.9 99 98 97 99 217 66.6 4.366 -0.136 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1052 Gluconic acid 2 20.5011 1979.0 3.0 scans 85% 73 m/z 0.89% 0.0771% 1370 0.6 143 30305 0.102% 481375 460800 636395 1-2 20: 73 292 319 147 333 205 217 305 293 103 320 74 294 117 359 334 433 277 321 189 0.960 20.60 -7.7 94 94 92 94 613 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN WTF2-N1038 C16:0 21.1261 2030.6 2.7 scans 89% 313 m/z 2.1% 0.0386% 1429 1.2 105 12531 241067 236722 0-7 20: 313 117 75 132 129 314 145 55 57 315 328 131 118 69 76 74 201 95 116 130 0.966 20.62 42.3 89 94 93 96 328 11.4 1.185 0.509 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.7016 2079.0 5.9 scans 100% 73 m/z 0.012% 15.9% 1484 0.2 1534 2233012 99814012 99698684 1-0 20: 73 307 320 133 219 266 74 103 149 193 75 369 134 395 294 130 309 59 392 223 0.998 21.75 -3.9 100 99 99 99 507 115.9 0.573 -0.047 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1042 myo-Inositol 21.7069 2079.4 5.7 scans 80% 305 m/z (432) 0.014% 12.4% 1485 0.2 1372 1917834 77562666 77562067 1-0 20: 305 217 318 147 191 306 319 265 204 218 367 291 148 129 192 393 221 205 293 368 0.987 21.77 -5.7 93 95 95 97 318 362.9 7.011 -0.067 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8500 2091.4 3.0 scans 95% 73 m/z 0.24% 0.307% 1498 1.2 282 108114 1917847 1847274 1-1 20: 73 319 205 147 320 103 217 321 262 117 204 74 206 133 89 148 157 229 129 218 0.999 21.93 -6.7 97 95 97 99 656 6.7 0.056 -0.080 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1762 2119.6 2.6 scans 67% 73 m/z (319) 0.61% 0.103% 1529 1.3 182 44121 0.117% 643443 643443 729982 0-0 20: 73 396 219 397 381 398 220 191 307 382 293 74 75 249 383 308 221 399 117 233 0.973 22.19 -0.9 94 96 89 96 396 77.8 18.268 -0.010 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1032 trans-Caffeic acid 22.1804 2119.9 2.8 scans 100% 319 m/z 0.52% 0.127% 1530 1.1 206 51798 0.302% 796019 796019 1884228 0-0 20: 319 205 147 103 320 217 321 117 133 89 206 189 172 157 148 204 163 291 292 129 0.998 22.25 -6.1 92 90 88 93 396 72.3 12.260 -0.070 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6549 2161.4 3.2 scans 85% 204 m/z 2.8% 0.0181% 1575 1.3 70 9516 0.0495% 113402 113402 308839 0-0 9: 204 73 205 147 361 217 117 206 145 0.987 22.71 -5.1 93 93 91 94 518 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN WTF2-N1036 C18:0 23.3809 2226.0 3.1 scans 93% 341 m/z 3.3% 0.0285% 1644 1.3 85 8140 0.0311% 178286 169670 194038 0-5 12: 341 73 342 132 75 129 145 55 356 69 74 201 0.992 22.89 44.2 89 95 91 95 356 10.7 1.595 0.492 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN BRA4_R~2-N1006 Spermidine 23.4925 2236.1 2.7 scans 70% TIC 15% 0.00474% 1654 1.2 38 1762 0.0281% 29587 26729 175321 2-0 0.962 23.51 -1.6 81 83 83 83 490 0.0 0.000 -0.017 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1101 2292.6 2.7 scans 86% 204 m/z 2.6% 0.0166% 1713 1.1 72 10090 103793 96340 1-3 12: 204 73 337 205 147 103 217 206 129 218 219 338 0.988 24.01 9.1 93 93 91 93 490 0.0 0.000 0.100 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6425 2342.9 5.4 scans 71% 73 m/z 8.2% 0.0100% 1763 0.6 42 3284 0.0171% 62751 58327 106690 8-1 7: 73 147 191 331 307 205 103 0.935 24.65 -0.7 81 82 72 82 466 0.0 0.000 -0.007 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7320 2351.4 2.8 scans 77% 73 m/z 6.9% 0.00854% 1772 1.3 51 3891 0.0104% 53284 48011 64887 0-6 8: 73 204 217 147 375 305 292 103 0.984 24.81 -7.0 81 82 78 81 451 6.3 1.517 -0.073 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5196 2527.5 3.0 scans 89% TIC 0.79% 0.112% 1942 1.3 174 33884 702330 664164 1-2 0.965 26.57 -5.6 100 99 96 99 512 59.1 11.560 -0.053 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN WTF2-N1032 Sucrose 26.6354 2539.5 2.9 scans 74% 361 m/z 11% 0.00716% 1953 1.2 43 2398 44731 31072 0-5 5: 361 73 273 217 437 0.984 26.87 -24.2 82 84 79 84 451 4.1 0.898 -0.235 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1020 Sucrose 27.3951 2618.6 12.4 scans 9.7% 437 m/z (361) 0.045% 2.60% 2025 2.1 450 591988 16241540 16239762 1-0 20: 437 451 438 439 453 440 345 454 171 347 233 374 463 307 145 323 292 178 56 464 0.829 27.46 -7.0 94 98 95 99 437 285.0 40.152 -0.066 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1010 Sucrose 27.3951 2618.6 12.4 scans 100% 437 m/z 0.0078% 26.5% 2025 2.1 1457 3439501 165506589 165488471 1-0 20: 437 451 438 439 453 440 345 454 171 347 233 374 463 307 145 323 292 178 56 464 0.998 27.58 -19.6 100 99 98 99 437 283.8 3.821 -0.184 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1070 Sucrose 27.3982 2618.9 12.0 scans 84% 319 m/z (437) 0.0080% 20.7% 2025 1.7 1322 3341775 23.2% 129257508 125228476 144748643 1-0 18: 319 359 452 453 332 345 171 158 233 145 292 265 289 56 261 465 276 179 0.992 27.41 -1.2 89 86 79 98 451 0.0 0.000 -0.012 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1018 Sucrose 27.4024 2619.4 11.8 scans 48% 361 m/z (73) 0.0078% 13.4% 2026 1.7 1020 3428272 84153707 83815691 1-0 18: 361 362 363 359 364 71 189 365 291 199 346 207 277 348 433 355 322 421 0.852 27.47 -7.1 91 95 56 93 437 285.0 7.855 -0.068 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1008 Sucrose 27.4024 2619.4 11.8 scans 99% 361 m/z 0.0079% 27.2% 2026 1.7 1457 3413299 170183653 169500084 1-0 18: 361 362 363 359 364 71 189 365 291 199 346 207 277 348 433 355 322 421 0.998 27.59 -20.1 100 99 97 99 437 273.3 3.546 -0.189 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1014 Sucrose 27.4066 2619.8 11.9 scans 92% TIC 0.0079% 23.3% 2026 1.3 1402 3417269 26.4% 145617289 141056289 164713973 1-0 1.000 27.49 -8.9 100 100 99 100 437 283.8 4.130 -0.083 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN TAB_REP6-N1068 Sucrose 27.4151 2620.7 11.9 scans 53% 147 m/z (217) 0.012% 13.8% 2027 1.0 1063 2188681 15.6% 86405156 83485909 97330984 1-0 17: 147 218 191 205 143 133 321 190 435 130 306 247 227 275 185 248 373 0.882 27.41 1.0 80 86 61 82 451 182.9 2.977 0.010 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1016 Sucrose 27.4729 2626.9 11.8 scans 56% 73 m/z (320) 0.015% 2.92% 2033 1.9 1041 1784998 14.7% 18237496 17586345 91715735 0-1 20: 73 217 147 103 129 169 271 74 218 243 75 191 451 148 133 117 219 205 189 272 0.991 27.48 -0.4 86 87 94 91 437 15.5 0.000 -0.004 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN LQC1-N1006 Trehalose 28.3715 2724.0 3.1 scans 76% 361 m/z 5.0% 0.00855% 2118 1.1 53 5387 0.0554% 53403 52605 345650 0-1 7: 361 362 191 363 73 217 271 0.993 28.47 -10.9 91 90 79 92 565 0.0 0.000 -0.097 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN GUA35_L1-N1020 Galactinol 30.5937 2978.1 2.7 scans 93% TIC 1.3% 0.0356% 2329 1.5 100 19807 222715 209534 1-2 0.999 30.55 5.7 82 81 91 83 641 0.0 0.000 0.049 G:\GCMS data\Nicotiana Panel polar\P_BMN_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6964 3109.1 3.6 scans 74% 204 m/z 9.6% 0.00547% 2434 1.0 35 2809 34125 34125 1-0 3: 204 205 129 0.972 31.68 2.5 81 82 74 82 597 6.8 3.719 0.021 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1194 Alanine 7.1907 1096.8 9.2 scans 67% TIC 4.7% 0.0817% 105 2.1 40 4115 72275 72275 0-0 0.972 7.40 -12.7 91 92 88 91 283 0.0 0.000 -0.213 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN WTF2-N1026 Cadaverine NC 8.0809 1149.6 7.5 scans 56% TIC 12% 0.0274% 190 1.7 25 1538 24275 20682 3-1 0.967 7.74 20.4 91 94 79 93 216 6.3 6.196 0.345 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1184 Valine 9.0615 1207.6 6.5 scans 45% 144 m/z 15% 0.0180% 283 1.8 19 1295 15974 15974 0-0 1: 144 0.915 9.19 -7.4 82 88 71 87 218 6.9 12.729 -0.126 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN VEN77_S6-N1002 Glycerol 10.0064 1262.9 3.3 scans 62% 299 m/z 2.5% 0.0771% 372 2.2 53 7635 68211 67604 0-3 9: 299 300 314 301 211 315 193 283 191 0.697 10.09 -5.1 95 96 74 96 299 35.1 43.867 -0.088 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LACTIC~1-N1034 Glycerol 10.0316 1264.4 5.9 scans 70% 73 m/z 4.0% 0.139% 375 1.9 54 4808 0.145% 123358 109075 128256 4-3 7: 73 205 117 103 218 148 206 0.738 10.11 -4.6 93 93 92 95 293 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN TAB_REP6-N1012 Proline 10.4399 1288.3 4.3 scans 90% TIC 0.82% 0.253% 414 1.4 93 23817 0.908% 224598 223967 803150 2-0 0.991 10.53 -5.5 98 98 95 98 216 18.0 3.747 -0.093 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN TAB_REP6-N1014 Maleic acid 10.5125 1292.5 >5 scans 73% TIC 2.6% 0.0615% 421 1.0 57 7403 0.757% 54412 54412 669587 0-0 0.989 10.60 -5.3 93 92 88 93 245 14.3 6.267 -0.090 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.6535 1300.8 3.4 scans 92% 147 m/z 0.54% 0.492% 434 2.0 133 36377 435633 402545 1-6 20: 147 73 76 251 148 149 132 58 74 252 177 133 150 59 72 176 118 62 77 134 0.976 10.76 -6.3 98 96 96 98 251 31.1 5.456 -0.105 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1168 Glyceric acid 10.9576 1319.1 3.5 scans 84% 73 m/z 5.3% 0.0733% 463 1.8 50 3719 64846 51441 3-19 10: 73 292 189 147 133 307 103 205 293 148 0.993 11.05 -5.8 93 94 88 93 292 15.3 9.432 -0.096 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1162 Fumaric acid 11.3037 1340.0 3.2 scans 80% 245 m/z 4.5% 0.0517% 496 1.5 46 4339 45780 40945 1-3 6: 245 246 240 247 143 83 0.989 11.39 -5.3 92 92 83 92 245 26.5 33.600 -0.089 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1160 Serine 11.4605 1349.4 3.3 scans 95% 204 m/z 0.81% 0.529% 511 1.5 144 24208 0.533% 468746 460255 471453 1-2 19: 204 73 188 205 100 147 219 278 74 133 103 279 220 59 116 306 189 132 72 1.000 11.56 -5.8 97 96 96 97 306 13.3 0.856 -0.096 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN TAB_REP6-N1024 Threonine 11.8751 1374.4 3.2 scans 89% 73 m/z 2.8% 0.121% 550 1.5 71 6955 107778 101569 5-3 18: 73 218 219 117 291 101 292 220 74 147 203 100 132 57 128 133 293 59 0.989 11.92 -2.7 97 96 92 96 320 6.1 0.719 -0.046 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1148 Glutamine?? 13.2598 1460.4 3.5 scans 81% 155 m/z 5.1% 0.0451% 682 1.3 42 3813 39913 35956 2-1 4: 155 156 229 139 0.995 13.35 -5.5 91 91 85 91 257 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN TAB_REP6-N1026 Malic acid 13.4976 1475.4 2.7 scans 97% 73 m/z 0.40% 0.621% 704 1.3 175 48849 549730 544335 0-1 20: 73 147 233 245 133 190 148 75 189 335 191 74 149 55 101 175 234 59 265 72 0.999 13.53 -2.2 99 98 98 98 335 21.0 1.437 -0.035 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN TAB_REP6-N1032 GABA 14.1615 1518.1 3.1 scans 93% 174 m/z 2.0% 0.143% 767 1.3 80 9578 0.164% 126501 126007 145062 0-3 15: 174 304 73 175 147 305 86 176 75 143 59 133 148 130 172 0.999 14.19 -1.7 97 97 93 97 304 24.5 9.367 -0.026 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6024 1547.3 2.6 scans 90% 73 m/z 2.7% 0.0865% 809 1.2 67 7146 76552 74077 1-1 13: 73 292 220 147 103 205 293 221 117 148 294 74 319 0.997 14.62 -1.3 93 92 89 92 409 4.4 0.426 -0.019 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7150 1554.8 3.0 scans 52% 174 m/z (267) 2.0% 0.116% 820 1.0 72 9626 102744 98961 1-1 15: 174 175 86 250 100 176 59 177 162 130 121 77 92 117 251 0.978 14.16 36.5 90 96 91 98 250 14.9 4.233 0.550 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3747 1598.5 2.6 scans 78% 217 m/z 5.1% 0.0279% 883 1.3 40 3796 0.0736% 24734 23826 65101 0-1 3: 217 73 218 0.952 15.44 -4.5 89 89 83 89 393 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1114 Xylose 15.9997 1641.9 2.8 scans 79% 73 m/z 6.1% 0.0361% 942 1.0 44 3183 0.0867% 31968 28585 76688 2-2 5: 73 103 217 307 147 1.000 16.06 -4.4 91 91 86 92 307 12.9 8.543 -0.064 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN TAB_REP6-N1038 Xylose 16.0975 1648.6 3.1 scans 69% 103 m/z 15% 0.0185% 951 0.7 28 1298 16428 16428 0-0 3: 103 307 217 0.980 15.89 14.4 82 83 74 87 307 8.4 9.071 0.208 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2207 1657.2 2.8 scans 74% 290 m/z 4.8% 0.0310% 963 1.8 37 4062 27487 27487 0-1 4: 290 291 292 158 0.967 16.28 -3.9 95 95 80 95 392 6.0 2.716 -0.055 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6079 1684.1 2.5 scans 87% 73 m/z 4.6% 0.0513% 1000 1.3 54 4219 0.0922% 45445 45209 81553 1-0 10: 73 319 307 103 217 147 308 205 320 129 0.985 16.68 -4.7 93 93 86 93 497 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9866 1710.9 3.1 scans 86% 73 m/z 5.3% 0.0539% 1036 1.3 50 3691 0.206% 47701 47420 182213 0-1 9: 73 305 217 147 103 307 117 319 205 0.986 17.06 -5.6 82 82 77 82 510 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1096 Putrescine 17.1771 1724.8 2.5 scans 72% 174 m/z 2.9% 0.0360% 1054 0.9 45 6769 31889 31889 0-0 8: 174 175 214 172 176 200 100 130 1.000 17.25 -5.2 92 92 90 92 458 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5548 1752.4 2.6 scans 92% 217 m/z 1.2% 0.158% 1090 1.1 93 15942 0.303% 140034 134431 268012 4-2 18: 217 73 218 147 450 219 133 74 305 149 232 129 257 59 451 148 169 452 1.000 17.63 -5.6 91 90 88 91 450 15.2 2.683 -0.077 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6864 1762.0 2.7 scans 64% 334 m/z 8.1% 0.0393% 1102 0.8 43 2430 34778 34442 2-0 5: 334 204 256 129 257 0.978 17.70 -0.9 85 86 73 85 375 5.7 1.768 -0.013 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1076 Pregnane?? 18.7617 1842.3 2.6 scans 97% 345 m/z 0.55% 0.542% 1205 1.1 168 35792 479960 479520 1-0 20: 345 73 255 147 346 347 204 334 256 191 419 133 148 74 372 149 348 435 215 75 0.999 18.86 -7.4 98 97 94 97 537 12.4 0.542 -0.096 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1072 Fructose 18.9343 1855.5 2.4 scans 97% 73 m/z 0.083% 3.31% 1221 1.0 431 235869 2933122 2780855 1-1 20: 73 103 217 307 147 308 133 277 218 74 205 309 117 189 364 89 104 148 204 219 1.000 19.03 -7.5 98 97 98 98 364 43.8 1.033 -0.099 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN TAB_REP6-N1052 Fructose 19.0563 1864.8 2.7 scans 98% 73 m/z 0.13% 2.38% 1233 0.7 336 143246 2109378 2059695 1-1 20: 73 217 103 307 147 308 218 277 74 89 133 205 364 117 262 309 148 219 204 104 1.000 19.10 -3.6 99 98 98 98 364 35.4 1.112 -0.048 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1064 Mannose 19.2699 1881.1 2.4 scans 98% 319 m/z 0.025% 13.3% 1253 0.7 862 786569 11779708 11675817 1-0 20: 319 73 205 147 160 320 217 321 103 206 117 133 74 129 157 229 189 148 204 218 0.997 19.45 -14.1 100 99 99 100 319 319.4 13.785 -0.185 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1062 Glucose 19.5056 1899.1 2.6 scans 96% 73 m/z 0.13% 2.40% 1275 0.9 346 151553 2125938 2087670 1-1 20: 73 319 205 147 103 160 320 217 133 321 117 74 206 129 148 89 75 204 189 229 0.996 19.66 -12.0 98 96 96 98 319 115.4 11.111 -0.150 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6395 2073.7 2.6 scans 96% 305 m/z 0.071% 6.13% 1478 1.0 565 275781 5430212 5043747 1-1 20: 305 73 217 147 318 191 306 319 204 265 307 218 432 433 129 133 320 148 291 74 1.000 21.75 -9.2 100 99 98 99 507 43.4 0.592 -0.110 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8720 2093.3 3.4 scans 96% 73 m/z 1.0% 0.391% 1500 1.2 123 19331 346480 337566 1-2 20: 73 319 205 147 320 217 103 321 262 117 206 204 74 229 133 148 129 291 263 191 0.997 21.93 -4.8 95 94 93 95 656 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1950 2121.2 2.9 scans 90% 396 m/z 4.4% 0.0764% 1531 1.1 60 4437 67640 62264 1-6 10: 396 219 73 397 381 398 220 307 191 293 0.988 22.19 0.7 93 93 79 93 396 26.8 20.013 0.009 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6759 2163.2 3.6 scans 88% 204 m/z 7.0% 0.0411% 1576 1.4 39 2783 0.0566% 36367 34044 50064 2-0 5: 204 73 217 205 147 1.000 22.71 -3.3 88 88 86 88 518 0.0 0.000 -0.038 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6529 2343.9 3.3 scans 88% 73 m/z 4.1% 0.109% 1764 0.5 62 4793 96509 91376 2-2 17: 73 191 331 147 421 217 205 319 307 103 262 332 259 204 305 148 333 0.990 24.65 0.3 89 89 83 89 466 0.0 0.000 0.003 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5238 2528.0 2.9 scans 91% TIC 6.7% 0.0520% 1942 1.0 50 2917 0.0595% 46041 44721 52629 4-1 1.000 26.57 -5.1 89 89 72 89 512 19.4 15.083 -0.049 G:\GCMS data\Nicotiana Panel polar\P_BNWA_REP5.FIN LQC1-N1014 Sucrose 27.3834 2617.3 3.7 scans 97% 361 m/z 0.0063% 56.6% 2024 0.4 1468 3086295 50067034 49362497 1-1 20: 361 362 73 217 437 363 147 271 451 103 438 169 129 218 319 243 191 439 364 452 1.000 27.49 -11.4 100 100 99 100 437 298.5 4.166 -0.107 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN EXBLK5S-N1006 Contamination 6.6024 1062.0 15.1 scans 69% TIC 1.3% 0.0706% 49 0.6 81 16535 0.365% 189942 184949 981889 2-0 0.980 6.63 -1.3 98 97 92 97 295 24.4 9.031 -0.023 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1194 Alanine 7.4220 1110.6 13.8 scans 65% TIC 2.3% 0.0912% 127 1.6 59 9167 0.161% 245532 245532 433107 0-0 0.943 7.40 1.1 93 94 90 95 283 0.0 0.000 0.018 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN A-KETO~2-N1006 Contamination?? 7.9639 1142.7 2.6 scans 71% 156 m/z 4.5% 0.0154% 178 1.1 47 4694 0.0237% 41490 40711 63756 1-4 5: 156 55 75 157 54 0.959 7.96 0.5 97 98 91 98 156 25.4 29.543 0.007 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1192 Contamination 8.0460 1147.5 2.9 scans 59% 152 m/z 7.1% 0.0133% 186 1.6 43 3022 0.0220% 36035 35367 59182 2-0 6: 152 147 73 133 220 235 0.872 7.99 3.3 91 93 83 92 235 8.7 4.169 0.057 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1188 Contamination 8.3701 1166.7 4.4 scans 56% 281 m/z 5.4% 0.0220% 217 1.9 40 3980 0.0229% 59440 50912 61603 7-0 7: 281 369 282 283 249 371 370 0.944 8.41 -2.7 93 94 72 94 369 13.4 11.291 -0.045 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1184 Valine 9.1981 1215.6 4.9 scans 63% 144 m/z 5.1% 0.0177% 296 0.3 37 4191 0.0205% 47788 47788 55147 0-0 4: 144 73 218 145 0.937 9.19 0.6 92 93 83 93 218 12.1 10.755 0.010 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1180 Benzoic acid 9.7611 1248.6 3.5 scans 56% 179 m/z 15% 0.00729% 349 0.7 26 1421 19620 19418 2-0 4: 179 105 135 77 0.907 9.76 0.1 86 86 78 95 194 3.8 2.148 0.002 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN VEN77_S6-N1002 Glycerol 10.0851 1267.5 2.4 scans 92% TIC 0.080% 0.762% 380 1.2 328 268528 2051286 1974463 1-1 0.964 10.09 -0.5 100 99 97 100 299 191.9 34.244 -0.009 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1176 Isoleucine 10.4387 1288.2 3.4 scans 38% 158 m/z 6.6% 0.00851% 414 0.6 30 3240 22894 22894 1-0 3: 158 159 218 0.880 10.46 -1.2 91 93 67 92 260 0.0 0.000 -0.020 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1012 Proline 10.5260 1293.3 3.3 scans 87% 142 m/z 0.47% 0.127% 422 0.6 119 45416 0.742% 342644 342421 1996059 0-1 16: 142 73 143 216 144 147 72 141 100 66 217 170 148 133 244 68 0.985 10.53 -0.5 99 98 96 98 216 22.9 3.672 -0.007 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1014 Maleic acid 10.5965 1297.5 2.7 scans 86% 147 m/z 0.87% 0.0812% 429 1.2 106 24606 0.849% 218655 218655 2283901 0-0 18: 147 73 245 148 75 83 149 246 143 133 84 74 126 98 69 85 54 72 0.952 10.60 -0.3 94 92 92 97 245 21.3 4.042 -0.005 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1170 Glycine 10.6617 1301.3 3.6 scans 72% 174 m/z 1.5% 0.0538% 435 0.7 79 14182 0.301% 144936 144936 809722 0-0 14: 174 248 73 175 86 176 276 133 100 158 249 59 130 131 0.991 10.69 -1.5 92 92 87 92 276 12.2 2.393 -0.025 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7375 1305.9 2.5 scans 94% TIC 0.080% 0.823% 442 1.3 327 269046 0.991% 2216544 2088888 2665896 2-1 0.970 10.76 -1.2 99 98 97 99 251 74.1 5.133 -0.020 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1168 Glyceric acid 11.0205 1322.9 2.4 scans 98% 73 m/z 0.16% 0.554% 469 0.9 292 132236 1491795 1491346 1-0 20: 73 147 189 292 133 103 205 293 148 102 117 190 307 75 74 59 294 149 191 101 0.999 11.05 -2.0 100 99 99 99 292 84.0 8.278 -0.033 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0826 1326.6 2.5 scans 67% 184 m/z 8.7% 0.0127% 475 0.9 42 2471 0.0216% 34284 31779 58106 0-1 6: 184 134 285 174 77 86 0.969 11.06 1.1 91 91 84 94 285 13.1 9.499 0.020 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1162 Fumaric acid 11.3583 1343.2 2.4 scans 89% 245 m/z 1.1% 0.0613% 501 1.0 95 18851 165100 150979 3-1 18: 245 73 147 246 75 83 143 247 53 149 155 133 148 84 61 74 115 127 0.991 11.39 -2.1 97 96 94 96 245 50.9 28.791 -0.035 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4562 1349.1 3.5 scans 56% 57 m/z 1.7% 0.0530% 510 0.9 72 12532 0.0699% 142589 132472 188038 2-0 14: 57 97 145 115 69 56 127 129 111 59 128 109 71 72 0.990 11.45 0.6 93 91 94 96 145 20.3 7.883 0.010 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN WTF2-N1024 Contamination 10.96min 11.4751 1350.3 2.9 scans 69% 84 m/z (204) 0.65% 0.123% 512 1.2 119 32860 332676 299440 3-2 16: 84 161 162 119 92 51 78 65 82 63 85 91 64 104 77 105 0.974 10.96 31.3 93 97 98 99 161 27.9 5.483 0.519 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1020 Serine 11.5067 1352.2 2.6 scans 83% 204 m/z 0.34% 0.302% 515 1.0 203 62258 812633 759333 2-1 17: 204 73 218 205 147 219 278 206 74 116 220 306 148 279 101 216 103 0.950 11.51 -0.4 99 99 96 99 306 20.4 1.004 -0.006 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1160 Serine 11.5067 1352.2 2.6 scans 90% 204 m/z (84) 0.34% 0.339% 515 1.0 212 62499 912799 852929 2-1 17: 204 73 218 205 147 219 278 206 74 116 220 306 148 279 101 216 103 0.997 11.56 -3.0 95 95 95 96 306 18.9 0.799 -0.050 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN BRA4_R~2-N1008 Thymine 11.5919 1357.3 3.0 scans 46% 255 m/z 8.3% 0.00513% 523 1.0 25 2577 13814 13814 1-0 3: 255 270 256 0.814 11.58 0.5 98 100 83 100 270 9.2 14.133 0.008 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1024 Threonine 11.9149 1376.8 2.5 scans 95% 73 m/z 0.62% 0.158% 554 1.0 151 34710 0.176% 426069 418249 473459 1-1 20: 73 218 219 291 117 292 147 101 220 57 74 100 203 75 128 132 293 133 202 129 0.999 11.92 -0.3 100 99 98 99 320 12.2 0.654 -0.006 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1148 Glutamine?? 13.2796 1461.6 2.9 scans 78% 155 m/z 2.3% 0.0402% 683 1.3 71 9002 0.0949% 108273 107367 255291 1-1 12: 155 73 147 156 229 139 59 75 157 100 148 74 0.940 13.35 -4.3 81 77 85 91 257 4.6 0.420 -0.067 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1146 Malic acid 13.5269 1477.2 2.5 scans 98% 73 m/z 0.052% 1.67% 707 0.9 483 407352 4518176 4374710 1-1 20: 73 147 233 245 133 75 190 148 189 74 335 175 55 149 191 101 59 217 234 265 1.000 13.62 -5.6 100 98 98 99 350 12.0 0.062 -0.090 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1144 Contamination Parabanica acid 13.7373 1490.4 2.7 scans 65% 243 m/z (73) 11% 0.0106% 727 0.9 37 1804 28554 28554 1-0 4: 243 100 115 128 0.977 13.81 -4.4 87 90 81 90 243 15.7 17.647 -0.069 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1142 Erythritol/Threitol 13.8257 1496.0 2.6 scans 90% TIC 1.1% 0.0891% 736 1.1 109 19379 0.131% 239782 219846 352404 2-0 0.994 13.89 -4.1 96 94 95 98 320 9.5 0.756 -0.064 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1140 Aspartic acid 14.0098 1508.0 2.5 scans 62% 232 m/z 0.55% 0.131% 753 1.1 138 38765 352750 350100 0-1 18: 232 233 100 218 234 202 188 117 306 216 219 101 142 292 115 174 132 334 0.708 14.09 -5.1 93 94 87 96 349 6.5 0.224 -0.077 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0204 1508.7 2.8 scans 60% 156 m/z (232) 0.46% 0.150% 754 1.0 136 46153 405640 372819 1-1 20: 156 230 157 258 158 231 259 140 58 86 112 55 84 67 85 121 57 114 260 214 0.980 14.11 -6.0 96 98 95 98 273 4.9 0.130 -0.090 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0204 1508.7 2.8 scans 75% 156 m/z 0.47% 0.181% 754 1.0 152 45506 487235 447812 1-1 20: 156 230 157 258 158 231 259 140 58 86 112 55 84 67 85 121 57 114 260 214 0.841 14.03 -0.6 96 95 96 98 258 27.2 3.189 -0.010 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1032 GABA 14.1771 1519.1 2.9 scans 90% TIC 0.71% 0.131% 769 1.2 133 30195 0.303% 354865 336800 815102 0-3 0.996 14.19 -0.7 98 98 96 98 304 38.5 8.416 -0.011 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3528 1530.8 2.8 scans 70% TIC 5.6% 0.0187% 786 1.0 47 3830 0.243% 50383 32126 653696 0-4 0.962 14.69 -22.4 87 89 81 88 409 0.0 0.000 -0.339 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6001 1547.2 2.5 scans 94% 73 m/z 0.54% 0.155% 809 1.1 151 39391 417824 411103 1-1 20: 73 292 147 220 205 293 217 103 117 133 74 221 294 319 148 206 131 75 149 102 0.998 14.62 -1.4 99 98 97 98 409 10.6 0.493 -0.021 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7316 1555.9 2.8 scans 93% 174 m/z 0.72% 0.119% 822 0.9 119 29613 0.128% 321564 311342 344334 1-1 20: 174 73 86 175 91 176 250 59 65 130 117 87 162 74 121 144 105 177 116 158 0.986 14.16 37.6 91 93 90 100 250 21.2 3.151 0.567 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1036 Glutamic acic 15.4934 1606.7 2.7 scans 51% TIC 15% 0.00371% 894 0.9 22 1358 0.0173% 9989 8134 46539 0-1 0.947 15.50 -0.7 83 86 78 86 363 0.0 0.000 -0.010 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1118 Phenylalanine 15.5913 1613.5 >3 scans 82% TIC 4.6% 0.0256% 903 1.5 54 4602 0.0423% 69090 69090 113792 0-0 0.949 15.66 -4.7 91 90 86 95 294 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1038 Xylose 15.8764 1633.3 5.8 scans 56% TIC 7.6% 0.00886% 930 1.8 35 2820 0.101% 23838 22816 271701 1-0 0.867 15.89 -0.9 88 91 75 89 307 11.6 11.035 -0.014 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1040 Xylose 15.9932 1641.4 2.7 scans 88% TIC 1.4% 0.0677% 942 0.8 91 14528 0.116% 182365 182365 312052 0-0 0.994 16.00 -0.7 96 95 93 95 307 25.1 7.541 -0.011 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1042 Ribose 16.0921 1648.3 2.8 scans 82% 73 m/z 2.2% 0.0410% 951 0.7 72 9611 0.0890% 110365 102526 239420 0-5 13: 73 307 103 217 147 308 277 160 74 189 133 104 89 0.992 16.10 -0.7 95 95 93 95 307 21.7 8.958 -0.011 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2163 1656.9 2.7 scans 80% 290 m/z 1.1% 0.0646% 963 1.6 82 19420 173818 153575 1-5 10: 290 291 158 292 144 393 117 131 115 100 0.980 16.28 -4.2 99 98 93 99 392 12.4 2.286 -0.060 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6024 1683.7 2.7 scans 92% 73 m/z 1.0% 0.105% 999 1.3 115 19604 0.140% 284276 284276 376615 0-0 20: 73 307 319 103 147 217 320 308 205 306 129 321 74 218 189 117 148 104 133 149 0.992 16.68 -5.1 99 98 97 98 497 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9128 1705.5 2.6 scans 66% 217 m/z 5.0% 0.0207% 1029 1.1 56 4249 0.171% 55722 55722 460008 0-0 7: 217 205 103 319 307 218 129 0.976 16.99 -5.6 88 88 84 88 422 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9854 1710.8 2.8 scans 87% TIC 1.2% 0.0962% 1036 1.1 109 17352 0.430% 258940 225331 1156746 0-2 0.995 17.06 -5.7 92 91 91 92 510 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1096 Putrescine 17.1770 1724.8 2.7 scans 36% 174 m/z 4.8% 0.00700% 1054 1.0 31 4414 18835 18835 1-0 1: 174 0.983 17.25 -5.2 89 90 83 90 458 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3653 1738.6 2.7 scans 50% 333 m/z 9.0% 0.0107% 1072 1.1 38 2381 28787 28787 0-0 2: 333 292 0.892 17.44 -5.7 86 88 77 87 511 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5547 1752.4 2.7 scans 92% 217 m/z 0.42% 0.185% 1090 1.3 159 50443 0.304% 498287 465262 817793 0-1 20: 217 73 218 147 450 219 305 74 232 451 191 148 257 75 133 129 149 452 143 169 1.000 17.63 -5.6 94 93 94 94 450 25.9 2.656 -0.077 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6852 1761.9 2.8 scans 83% 73 m/z 0.70% 0.226% 1102 0.9 153 30383 0.284% 609727 535370 763990 2-1 20: 73 334 204 256 129 257 217 335 75 336 149 375 258 215 133 167 285 211 166 143 0.994 17.70 -1.0 98 97 96 98 375 17.4 1.296 -0.014 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1046 Shikimic acid 18.1123 1793.1 2.6 scans 73% 204 m/z 1.5% 0.0550% 1143 0.9 85 14191 148065 142437 1-1 8: 204 205 357 255 206 372 254 189 0.893 18.13 -0.9 90 90 85 92 372 10.4 1.482 -0.013 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1048 Citric acid 18.2355 1802.2 2.7 scans 86% TIC 0.96% 0.133% 1155 0.9 126 22257 0.223% 360311 314769 599894 2-1 0.983 18.24 -0.6 99 97 96 100 465 19.7 2.456 -0.009 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1076 Pregnane?? 18.7700 1842.9 2.6 scans 96% TIC 0.052% 2.15% 1205 0.8 521 406791 5789248 5464005 1-2 0.999 18.86 -6.8 100 99 99 99 537 38.8 0.555 -0.088 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1050 Fructose 18.9488 1856.6 2.7 scans 95% 73 m/z 0.035% 3.64% 1222 0.7 661 602690 9807299 8848654 4-1 20: 73 307 103 217 147 308 218 277 133 74 117 309 364 205 189 104 219 148 89 75 1.000 18.98 -2.4 100 99 99 99 364 71.2 1.164 -0.031 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1052 Fructose 19.0688 1865.7 2.7 scans 96% 73 m/z 0.043% 3.22% 1234 0.5 597 494154 8677810 8441658 1-1 20: 73 307 217 103 147 308 277 218 309 364 74 89 205 117 133 262 148 104 219 75 0.996 19.10 -2.7 100 99 99 99 364 64.5 1.169 -0.035 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN BRA4_R~2-N1004 Galactose 19.1225 1869.8 >3 scans 51% TIC 5.0% 0.0109% 1239 1.8 57 4267 3.82% 29322 29322 10276209 0-0 0.972 19.36 -18.3 82 80 76 88 364 0.0 0.000 -0.239 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1064 Mannose 19.2792 1881.8 2.4 scans 98% 319 m/z 0.024% 5.13% 1254 0.7 849 868664 13801082 13797153 1-0 20: 319 73 205 147 160 320 217 321 103 206 117 229 133 157 129 74 148 189 204 207 1.000 19.45 -13.4 100 98 99 100 319 317.0 13.979 -0.176 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1059 Glucose 19.5107 1899.4 3.3 scans 91% TIC 0.12% 1.08% 1276 0.7 340 173111 2919750 2776454 1-1 0.988 19.55 -3.3 99 97 98 99 376 11.0 0.105 -0.041 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1061 Lysine 19.5928 1906.0 2.7 scans 45% 174 m/z 8.4% 0.0105% 1284 0.9 36 2558 28260 28260 1-0 4: 174 317 156 128 0.907 19.61 -1.6 88 89 77 89 434 3.2 0.789 -0.020 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1056 Ascorbic acid 19.8800 1929.1 2.8 scans 79% 73 m/z 1.3% 0.0647% 1311 1.0 98 16347 0.174% 174275 174275 468079 0-0 17: 73 332 147 333 359 334 374 74 449 345 149 331 361 303 75 59 304 0.943 19.99 -8.6 91 90 87 92 449 9.5 0.944 -0.106 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2736 1960.7 2.8 scans 86% 73 m/z 1.7% 0.0586% 1348 1.1 87 12009 157808 157490 1-0 12: 73 217 147 394 103 307 191 205 74 433 218 189 0.956 20.30 -1.8 89 88 82 92 433 9.1 1.101 -0.022 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN WTF2-N1038 C16:0 21.1206 2030.1 2.7 scans 89% TIC 1.6% 0.0862% 1429 1.0 107 12778 231910 217962 1-5 0.976 20.62 41.8 88 92 92 96 328 11.6 1.183 0.504 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6656 2075.9 2.8 scans 98% 305 m/z 0.015% 12.3% 1481 0.5 1220 1390333 33129836 31564692 1-1 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 320 433 367 129 133 291 148 1.000 21.75 -7.0 100 100 100 100 507 99.3 0.665 -0.083 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8476 2091.2 3.0 scans 96% 73 m/z 0.12% 1.14% 1498 1.0 357 169642 3082384 2846472 2-2 20: 73 319 205 147 320 217 103 321 262 206 204 117 133 74 148 229 89 129 157 291 1.000 21.93 -6.9 96 93 96 99 656 8.6 0.058 -0.082 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1675 2118.8 2.6 scans 87% 396 m/z 0.80% 0.153% 1528 1.0 144 26760 414144 410477 0-1 18: 396 219 397 381 398 307 220 191 382 293 249 383 221 399 233 308 192 294 0.945 22.19 -1.7 99 99 95 98 396 60.6 17.668 -0.018 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6505 2161.0 3.0 scans 95% 204 m/z 0.67% 0.146% 1574 1.1 132 32135 0.325% 393807 383478 874285 1-0 20: 204 73 205 217 147 206 117 191 249 75 263 103 131 218 118 133 148 363 189 72 0.996 22.71 -5.5 93 91 93 96 518 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN WTF2-N1036 C18:0 23.3754 2225.5 2.9 scans 88% 341 m/z 3.3% 0.0464% 1643 1.5 74 6464 0.0511% 125084 118328 137464 3-5 12: 341 117 129 342 132 75 55 57 356 118 201 131 0.994 22.89 43.7 88 94 89 94 356 10.4 1.954 0.486 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN BRA4_R~2-N1006 Spermidine 23.4912 2236.0 2.7 scans 74% 144 m/z 7.8% 0.0194% 1654 1.0 52 2761 52229 52229 0-0 9: 144 174 116 156 160 86 172 142 170 0.971 23.51 -1.7 95 96 93 96 490 4.8 0.853 -0.018 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1088 2292.5 3.4 scans 68% TIC 7.3% 0.00851% 1713 1.2 34 2926 0.0615% 22916 22916 165442 0-0 0.920 24.01 9.0 85 87 77 86 490 0.0 0.000 0.099 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6360 2342.3 3.2 scans 95% 73 m/z 0.41% 0.448% 1763 0.5 204 51478 1207591 1180368 1-1 20: 73 147 331 191 217 262 421 205 307 103 319 332 74 376 259 422 204 305 333 117 0.998 24.65 -1.3 99 98 98 99 466 11.8 0.335 -0.014 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7307 2351.3 2.8 scans 83% 73 m/z 3.9% 0.0310% 1772 1.0 63 5396 0.304% 83516 74166 817793 1-4 11: 73 204 217 292 147 375 103 305 218 219 205 0.991 24.81 -7.1 83 84 81 83 451 7.6 1.474 -0.074 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4300 2518.3 2.8 scans 86% TIC 2.7% 0.0452% 1933 0.9 73 7770 0.345% 121762 114251 928087 5-1 0.994 26.52 -9.3 90 90 85 90 740 10.3 1.967 -0.091 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5183 2527.4 2.8 scans 77% 512 m/z 0.84% 0.188% 1942 0.9 155 25612 507543 485294 1-1 18: 512 455 513 247 456 483 57 514 457 349 219 263 497 484 248 423 179 383 0.957 26.57 -5.7 99 98 92 98 512 55.8 12.896 -0.055 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1020 Sucrose 27.3969 2618.8 9.5 scans 13% 437 m/z (361 73) 0.039% 5.92% 2025 1.3 513 539579 6.58% 15934775 15470144 17700904 1-0 20: 437 451 438 439 452 453 345 332 347 173 175 87 153 187 316 289 323 256 442 262 0.553 27.46 -6.8 88 89 69 99 437 272.1 28.159 -0.064 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1014 Sucrose 27.4032 2619.5 9.4 scans 85% 361 m/z 0.0065% 38.6% 2026 1.1 1321 3292572 43.1% 104024110 101191013 115943609 1-0 20: 361 362 363 364 320 365 321 450 291 221 306 274 435 307 317 441 290 258 207 292 1.000 27.49 -9.2 100 99 99 100 437 279.3 4.506 -0.087 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1010 Sucrose 27.4075 2619.9 9.3 scans 100% 319 m/z 0.0064% 49.8% 2026 1.1 1439 3344510 134087615 134053954 1-0 20: 319 272 205 321 305 450 221 113 206 241 220 322 181 109 207 201 294 223 304 366 0.998 27.58 -18.3 100 99 98 99 437 278.8 3.782 -0.172 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1016 Sucrose 27.4285 2622.1 9.3 scans 52% 243 m/z (361) 0.013% 26.1% 2028 0.5 1029 1637602 70445544 70435430 1-0 8: 243 189 258 177 159 118 464 234 0.940 27.48 -5.2 89 92 95 94 437 16.3 0.000 -0.048 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1018 Sucrose 27.4285 2622.1 9.3 scans 68% 243 m/z (73) 0.0065% 34.2% 2028 0.5 1177 3273831 92110468 92097244 1-0 8: 243 189 258 177 159 118 464 234 0.968 27.47 -4.4 96 97 77 97 437 271.5 5.363 -0.041 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN LQC1-N1008 Sucrose 27.4422 2623.6 8.8 scans 100% 73 m/z 0.0068% 44.7% 2030 0.2 1427 3133472 120498487 120448867 1-0 20: 73 217 147 103 129 169 74 75 191 117 230 133 148 205 157 149 229 245 131 69 0.999 27.59 -15.9 100 99 97 99 437 263.1 3.420 -0.149 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN GUA35_L1-N1020 Galactinol 30.1400 2924.2 2.9 scans 84% 204 m/z 2.6% 0.0339% 2286 1.1 65 8263 0.0429% 91441 80607 115406 0-3 12: 204 73 217 191 205 147 433 305 206 218 129 361 0.991 30.55 -48.2 83 89 88 89 641 4.6 0.511 -0.405 G:\GCMS data\Nicotiana Panel polar\P_BQLD_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6236 3100.4 2.7 scans 75% 204 m/z 5.1% 0.0168% 2427 1.0 45 4177 0.0380% 45395 40927 102224 0-4 7: 204 205 217 129 597 103 598 0.977 31.68 -6.2 85 86 77 86 597 9.4 4.257 -0.051 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN EXBLK5S-N1006 Contamination 6.3626 1047.8 5.8 scans 50% 207 m/z 2.8% 0.0342% 26 1.5 60 9119 215097 130282 7-7 7: 207 295 208 209 73 296 191 0.965 6.63 -15.5 96 96 87 96 295 19.3 10.266 -0.262 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN A-KETO~2-N1006 Contamination?? 7.9872 1144.1 2.7 scans 70% 156 m/z 3.9% 0.0126% 181 1.3 56 6535 0.0150% 79664 56608 94299 27-4 6: 156 55 75 157 54 61 0.955 7.96 1.9 98 98 93 98 156 30.6 29.357 0.030 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1192 Contamination 8.0682 1148.9 2.8 scans 63% TIC 5.3% 0.00733% 188 1.6 56 4807 0.0245% 46098 45943 154022 1-0 0.936 7.99 4.7 93 93 88 94 235 10.6 3.676 0.079 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1188 Contamination 8.3744 1167.0 6.2 scans 77% 281 m/z 2.7% 0.0382% 217 1.8 73 9303 0.0436% 240504 199701 274097 7-0 10: 281 369 282 147 73 283 370 249 371 191 0.979 8.41 -2.4 98 97 81 99 369 20.9 8.290 -0.041 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1186 Phosphate 8.6006 1180.4 2.6 scans 38% 241 m/z 6.8% 0.00310% 239 1.1 33 3752 19488 19488 0-0 3: 241 211 242 0.762 8.56 2.4 86 85 63 93 299 0.0 0.000 0.040 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1184 Valine 9.2130 1216.5 5.8 scans 62% 144 m/z 4.9% 0.0110% 297 0.3 41 5179 0.0111% 69295 68321 69782 2-0 3: 144 218 145 0.974 9.19 1.5 92 93 83 93 218 13.0 10.208 0.025 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1180 Benzoic acid 9.7759 1249.4 3.6 scans 53% 179 m/z 13% 0.00451% 351 0.5 30 1910 0.00485% 28352 24684 30490 1-5 4: 179 135 105 77 0.858 9.76 0.9 93 96 87 95 194 3.2 1.103 0.017 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN VEN77_S6-N1002 Glycerol 10.0958 1268.2 2.7 scans 95% TIC 0.049% 0.685% 381 1.0 465 521799 4308478 4084715 1-1 0.985 10.09 0.2 100 99 96 100 299 273.4 34.690 0.002 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1176 Isoleucine 10.4483 1288.8 3.7 scans 33% 158 m/z 6.1% 0.00441% 415 0.6 31 4154 27722 27238 3-0 3: 158 218 159 0.789 10.46 -0.6 91 93 62 92 260 0.0 0.000 -0.011 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1174 Proline 10.5356 1293.9 3.2 scans 70% 142 m/z 1.1% 0.0269% 423 0.6 80 21719 0.0373% 169663 149239 234491 3-1 5: 142 143 216 144 66 0.986 10.55 -0.5 93 92 90 92 142 55.8 49.131 -0.009 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1014 Maleic acid 10.6145 1298.5 2.6 scans 95% TIC 0.10% 0.327% 430 1.0 324 250940 1.15% 2057659 1963363 7229618 2-0 0.994 10.60 0.7 98 97 98 99 245 73.1 5.082 0.013 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1170 Glycine 10.6756 1302.1 >2 scans 45% TIC 4.0% 0.00466% 436 0.7 58 6342 0.564% 29301 29301 3545656 0-0 0.960 10.69 -0.7 93 94 88 95 276 8.8 2.251 -0.011 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7534 1306.8 2.8 scans 94% TIC 0.053% 0.754% 444 0.9 449 477337 1.07% 4746002 4111136 6726688 7-2 0.991 10.76 -0.3 99 97 96 99 251 100.5 5.036 -0.005 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1168 Glyceric acid 11.0280 1323.4 2.6 scans 97% 73 m/z 0.20% 0.271% 470 0.9 295 127434 1703737 1700586 1-0 20: 73 147 292 189 133 103 205 293 102 117 148 190 307 74 75 59 294 149 191 101 0.998 11.05 -1.5 100 99 99 100 292 86.5 8.581 -0.026 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0922 1327.2 2.7 scans 75% TIC 8.1% 0.00739% 476 0.9 52 3128 0.230% 46474 46474 1445924 0-0 0.973 11.06 1.7 94 95 86 96 285 15.7 9.154 0.029 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1018 Uracil 11.1480 1330.6 2.4 scans 49% 241 m/z 13% 0.00255% 481 1.1 30 1937 0.00261% 16057 16057 16408 0-0 4: 241 99 255 256 0.947 11.15 -0.0 93 95 91 97 256 10.0 10.913 -0.000 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1162 Fumaric acid 11.3711 1344.0 2.5 scans 96% TIC 0.11% 0.327% 502 0.9 330 227931 2057185 1955179 2-1 1.000 11.39 -1.3 100 99 99 100 245 180.7 29.998 -0.022 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4626 1349.5 3.7 scans 56% 57 m/z 2.0% 0.0225% 511 0.8 74 12704 0.0459% 141927 141265 288556 1-0 13: 57 97 145 115 129 127 56 69 111 59 128 109 71 0.989 11.45 1.0 92 91 92 95 145 22.0 8.846 0.017 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN WTF2-N1024 Contamination 10.96min 11.4836 1350.8 3.0 scans 48% 84 m/z (57) 1.5% 0.0267% 513 1.3 84 16395 0.0375% 168474 155466 235748 4-2 14: 84 161 162 92 51 118 82 65 63 78 91 81 93 54 0.935 10.96 31.8 81 83 90 96 161 21.5 6.557 0.528 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1160 Serine 11.5142 1352.6 2.6 scans 91% 204 m/z 0.28% 0.183% 516 1.0 247 89581 1153075 1115918 1-1 18: 204 73 218 205 147 100 219 278 206 75 74 306 220 116 132 279 216 189 0.992 11.56 -2.6 100 99 97 99 306 25.7 1.079 -0.043 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1022 Thymine 11.5962 1357.6 3.0 scans 64% 255 m/z 4.9% 0.00533% 524 0.8 38 5159 33535 33535 1-0 4: 255 256 270 257 0.976 11.60 -0.2 98 98 88 98 270 12.6 10.788 -0.003 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1024 Threonine 11.9182 1377.0 2.6 scans 93% 73 m/z 0.78% 0.0760% 554 1.0 151 32600 478222 418428 1-12 20: 73 218 219 117 291 147 292 101 220 57 293 74 100 203 75 133 128 132 202 131 0.997 11.92 -0.1 99 98 98 99 320 13.1 0.753 -0.003 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1148 Glutamine?? 13.2850 1462.0 2.8 scans 86% 155 m/z 0.86% 0.0522% 684 1.0 129 29737 0.0828% 328762 326673 520532 1-2 14: 155 73 156 229 139 100 59 74 157 84 72 257 56 57 0.958 13.35 -3.9 88 84 92 95 257 9.1 0.491 -0.062 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1146 Malic acid 13.5565 1479.1 3.2 scans 99% 73 m/z 0.016% 3.77% 710 0.5 1001 1535703 23736805 23715238 1-0 20: 73 147 233 245 133 189 75 148 190 191 175 74 55 149 101 234 217 265 59 307 1.000 13.62 -3.7 100 99 99 100 350 25.3 0.064 -0.061 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1142 Erythritol/Threitol 13.7038 1488.3 2.6 scans 83% 73 m/z 2.1% 0.0209% 724 1.1 90 12065 2.48% 131816 130741 15590828 0-1 15: 73 217 147 205 103 117 189 204 307 218 191 148 74 206 293 0.990 13.89 -11.8 87 83 87 95 320 7.0 0.607 -0.186 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1144 Contamination Parabanica acid 13.7448 1490.9 2.8 scans 41% 115 m/z 16% 0.00330% 728 1.0 32 1590 0.00364% 20764 20764 22883 0-0 5: 115 243 100 128 116 0.956 13.81 -3.9 84 87 66 87 243 14.9 22.288 -0.061 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1028 Aspartic acid 14.0121 1508.2 2.5 scans 35% 232 m/z (73) 0.78% 0.0354% 753 1.2 110 32704 222783 222783 0-0 18: 232 100 233 218 202 234 188 117 219 216 142 130 101 204 334 102 292 174 0.963 14.02 -0.3 95 96 92 98 258 4.6 0.000 -0.005 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0215 1508.8 3.7 scans 84% 73 m/z (232) 0.33% 0.157% 754 1.2 190 76284 987305 899551 2-1 12: 73 75 74 133 59 149 70 99 244 114 56 87 0.987 14.03 -0.5 97 98 97 98 258 35.5 3.498 -0.008 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1140 Aspartic acid 14.0215 1508.8 3.7 scans 64% 73 m/z (156) 0.48% 0.120% 754 1.2 166 53187 760001 692450 2-1 12: 73 75 74 133 59 149 70 99 244 114 56 87 0.986 14.09 -4.3 96 97 97 98 349 8.2 0.242 -0.065 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0289 1509.3 3.0 scans 81% 156 m/z (232) 0.33% 0.110% 755 0.8 180 76284 692449 687080 0-1 20: 156 157 147 230 258 158 72 140 259 58 86 55 66 121 214 84 85 154 260 67 0.992 14.11 -5.4 97 98 96 99 273 7.9 0.191 -0.081 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1032 GABA 14.1804 1519.3 2.6 scans 79% 174 m/z (142) 0.99% 0.0473% 769 1.3 119 25656 0.0639% 297791 270563 401715 3-0 15: 174 304 147 175 305 176 75 86 306 216 246 130 100 172 156 0.994 14.19 -0.5 96 97 95 97 304 37.0 9.568 -0.008 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1134 GABA 14.1804 1519.3 2.6 scans 73% 174 m/z 0.99% 0.0412% 769 1.3 115 25656 0.0556% 259491 235764 349536 3-0 15: 174 304 147 175 305 176 75 86 306 216 246 130 100 172 156 0.983 14.24 -4.1 96 95 90 96 304 37.0 10.365 -0.062 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3551 1530.9 2.5 scans 63% 292 m/z 4.7% 0.00987% 786 0.9 59 5384 62089 62089 0-1 6: 292 205 220 293 221 294 0.978 14.69 -22.3 91 92 86 92 409 5.7 0.929 -0.337 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6003 1547.2 2.4 scans 96% 73 m/z 0.30% 0.144% 809 1.1 228 83320 907551 895843 0-1 20: 73 292 147 205 220 293 217 117 103 221 294 74 133 148 319 291 75 206 102 149 0.999 14.62 -1.4 100 99 99 99 409 16.9 0.553 -0.021 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7339 1556.0 2.9 scans 84% 174 m/z 0.64% 0.0652% 822 0.9 140 39538 410361 405370 0-1 18: 174 86 175 91 176 250 100 59 130 251 144 87 118 158 131 102 160 57 0.951 14.16 37.7 91 93 90 99 250 24.8 3.125 0.569 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3705 1598.2 2.6 scans 73% 217 m/z 1.9% 0.0150% 882 1.3 73 13347 0.0193% 94467 94467 121332 0-0 5: 217 218 219 103 129 0.987 15.44 -4.8 92 91 89 94 393 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1036 Glutamic acic 15.4936 1606.7 2.5 scans 53% 246 m/z 12% 0.00233% 894 1.2 29 2079 14658 14658 0-0 1: 246 0.923 15.50 -0.7 87 89 84 89 363 0.0 0.000 -0.009 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1118 Phenylalanine 15.5977 1613.9 >3 scans 80% TIC 2.8% 0.0192% 904 1.1 74 8980 0.0521% 121051 116775 327533 2-0 0.980 15.66 -4.3 90 89 84 92 294 4.7 0.401 -0.061 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1038 Xylose 15.8797 1633.5 >3 scans 80% TIC 2.6% 0.0172% 931 0.9 75 9677 0.152% 108606 107360 955567 1-0 0.991 15.89 -0.7 84 78 85 96 307 18.8 6.392 -0.010 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1040 Xylose 15.9955 1641.6 2.5 scans 92% 73 m/z 0.60% 0.0798% 942 1.0 165 42382 0.116% 501915 479865 729248 2-1 20: 73 103 307 217 147 308 189 160 218 277 74 133 309 89 117 75 104 205 204 105 0.995 16.00 -0.5 97 95 97 99 307 44.2 7.143 -0.009 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1042 Ribose 16.0933 1648.4 2.8 scans 84% 73 m/z 1.5% 0.0315% 951 0.8 98 16288 0.165% 198146 177555 1037293 2-5 20: 73 103 307 217 147 308 277 309 189 160 74 105 89 133 218 104 117 205 219 72 0.993 16.10 -0.6 97 96 96 98 307 28.0 8.073 -0.010 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2175 1657.0 2.9 scans 73% 290 m/z 1.1% 0.0308% 963 1.6 88 23045 194004 169903 1-6 9: 290 291 392 158 144 117 131 393 115 0.951 16.28 -4.1 98 98 90 98 392 14.8 2.839 -0.059 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6026 1683.7 2.7 scans 86% 73 m/z 1.4% 0.0397% 999 1.4 111 17404 0.0500% 249936 221637 314331 1-0 20: 73 319 307 217 147 103 308 320 205 129 306 74 309 321 277 218 148 229 133 157 0.988 16.68 -5.1 99 98 96 98 497 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9151 1705.7 3.4 scans 73% TIC 2.9% 0.0165% 1029 1.9 79 8657 0.191% 103951 103951 1200745 0-0 0.979 16.99 -5.4 93 93 89 92 422 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9856 1710.8 2.9 scans 90% TIC 0.88% 0.0697% 1036 1.2 145 28855 0.237% 438628 433488 1489930 0-1 0.997 17.06 -5.7 97 96 95 96 510 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1044 Putrescine 17.1781 1724.9 2.9 scans 61% 174 m/z (73) 2.3% 0.0125% 1054 1.1 61 11073 78599 74398 1-1 8: 174 175 172 214 86 176 200 100 0.966 17.19 -0.7 92 93 89 95 376 4.3 0.505 -0.010 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1096 Putrescine 17.1781 1724.9 2.9 scans 51% 174 m/z 2.3% 0.0102% 1054 1.1 56 10982 64641 61187 1-1 8: 174 175 172 214 86 176 200 100 0.963 17.25 -5.1 95 96 91 96 458 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5548 1752.4 2.7 scans 93% 217 m/z 0.21% 0.186% 1090 1.0 248 121522 0.235% 1174060 1107120 1477357 1-2 20: 217 73 218 147 219 450 74 75 133 191 129 451 148 230 149 215 103 257 244 169 0.998 17.63 -5.6 97 95 96 97 450 30.2 1.479 -0.077 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6874 1762.1 3.9 scans 79% TIC 1.0% 0.0863% 1103 0.5 135 25286 0.342% 543042 517525 2150025 2-0 0.954 17.70 -0.8 97 97 94 97 375 14.3 1.122 -0.012 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1046 Shikimic acid 18.1167 1793.4 2.7 scans 70% 204 m/z 0.57% 0.0857% 1143 1.2 163 44184 539080 514209 3-1 14: 204 357 206 255 254 372 462 282 283 256 447 267 331 373 0.923 18.13 -0.6 95 94 92 98 372 17.4 1.142 -0.008 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1048 Citric acid 18.2377 1802.3 3.2 scans 82% TIC 0.84% 0.0791% 1155 1.2 149 30183 0.240% 497866 447665 1508790 0-1 0.984 18.24 -0.5 98 96 94 100 465 23.0 2.367 -0.006 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1076 Pregnane?? 18.7775 1843.5 3.0 scans 97% 345 m/z 0.036% 1.73% 1206 1.1 692 695788 10924077 10627806 1-2 20: 345 73 346 255 147 347 256 204 334 191 435 419 133 74 372 148 257 75 239 348 0.999 18.86 -6.2 100 99 99 100 537 51.0 0.544 -0.081 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1074 Adenine 18.8701 1850.6 3.1 scans 17% 264 m/z 10% 0.00197% 1215 1.3 23 2446 0.132% 12405 12405 829834 0-0 2: 264 279 0.888 18.94 -5.3 85 91 72 90 415 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1072 Fructose 18.9932 1860.0 7.2 scans 98% 335 m/z 0.012% 14.5% 1227 0.7 1350 1994041 25.2% 91399622 87501430 158422928 1-2 20: 335 149 204 221 334 175 279 216 177 318 305 163 332 264 276 232 393 376 142 350 1.000 19.03 -3.0 100 98 99 100 364 157.4 1.364 -0.040 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1050 Fructose 19.0132 1861.5 >2 scans 96% 73 m/z 0.014% 4.27% 1229 2.7 1288 1789711 24.3% 26901189 26901189 152764966 0-0 20: 73 307 217 103 147 277 133 205 189 117 89 191 75 172 204 129 173 149 105 72 1.000 18.98 2.5 100 99 99 99 364 146.4 1.296 0.033 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1052 Fructose 19.1247 1870.0 6.0 scans 100% 334 m/z 0.014% 10.7% 1239 0.6 1292 1791959 23.7% 67532388 66959164 148992991 0-1 20: 334 376 229 332 82 222 377 304 76 254 57 159 449 393 120 469 380 125 210 267 0.998 19.10 1.6 100 99 99 100 364 153.8 1.421 0.021 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1070 Fructose 19.1331 1870.6 5.8 scans 85% 73 m/z (264) 0.015% 9.70% 1240 0.3 1224 1616462 22.7% 61002739 59610600 142706367 1-1 20: 73 307 217 103 147 308 218 277 364 309 205 133 262 74 219 117 89 189 104 148 0.990 19.19 -4.7 91 93 93 93 554 57.7 0.223 -0.061 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1056 Glucose 19.3467 1886.9 >5 scans 78% 305 m/z 0.012% 10.4% 1260 0.3 1325 2070784 12.8% 65572669 61839844 80468789 1-0 20: 305 366 276 263 278 279 265 390 275 304 310 140 420 342 379 391 450 347 409 402 1.000 19.33 1.1 100 99 98 99 364 96.9 0.537 0.015 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1064 Mannose 19.3541 1887.5 6.7 scans 97% 376 m/z 0.010% 16.2% 1261 0.2 1503 2560314 102412027 102400528 1-0 20: 376 323 333 331 223 358 448 334 367 171 433 284 154 335 237 523 480 449 408 315 0.999 19.45 -7.7 100 99 98 100 319 605.7 16.305 -0.101 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1066 Glucose 19.3604 1888.0 6.4 scans 60% 319 m/z (273) 0.0097% 10.0% 1262 0.2 1223 2636601 63354031 63349599 1-0 20: 319 73 205 147 160 320 217 321 103 206 117 229 133 157 129 204 189 74 207 148 0.959 19.40 -2.9 89 91 76 93 319 614.7 25.376 -0.039 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN BRA4_R~2-N1004 Galactose 19.3604 1888.0 6.4 scans 77% 319 m/z (305) 0.010% 12.9% 1262 0.2 1384 2532331 81215907 81210225 1-0 20: 319 73 205 147 160 320 217 321 103 206 117 229 133 157 129 204 189 74 207 148 0.973 19.36 -0.1 90 94 91 92 364 0.0 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1059 Glucose 19.5656 1903.8 2.9 scans 96% TIC 0.019% 4.18% 1281 0.5 1057 1329287 26316780 26126104 2-0 0.996 19.55 1.1 100 99 99 100 376 42.8 0.165 0.014 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7171 1916.0 2.9 scans 75% TIC 1.4% 0.0300% 1295 1.2 106 17641 0.252% 189110 189110 1584229 0-0 0.988 19.79 -5.9 84 83 85 84 434 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2800 1961.3 2.6 scans 74% 204 m/z 1.6% 0.0292% 1349 1.2 98 15352 183715 172949 2-2 6: 204 191 205 206 192 189 0.902 20.41 -10.7 82 81 84 85 217 25.8 6.938 -0.134 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1052 Gluconic acid 2 20.4999 1978.9 6.9 scans 76% TIC 2.7% 0.0267% 1370 2.1 75 9482 0.0590% 168124 168124 370911 0-0 0.981 20.60 -7.8 83 83 79 82 613 0.0 0.000 -0.097 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN WTF2-N1038 C16:0 21.1291 2030.9 2.9 scans 87% 313 m/z 2.1% 0.0383% 1430 1.4 106 11908 240861 232768 0-7 19: 313 73 117 75 129 132 314 145 55 57 131 201 328 69 83 116 133 130 76 0.979 20.62 42.6 90 96 93 96 328 10.8 1.037 0.512 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6815 2077.3 4.5 scans 99% 507 m/z 0.013% 11.1% 1482 0.4 1473 1930444 70112940 69916785 1-0 20: 507 508 509 436 612 370 407 510 396 418 421 380 408 156 522 614 365 224 346 70 0.995 21.75 -5.6 100 100 99 100 507 116.5 0.628 -0.067 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8499 2091.4 2.9 scans 97% 73 m/z 0.12% 0.592% 1498 1.1 404 198891 3721948 3555266 2-2 20: 73 319 205 147 320 217 103 321 262 206 117 204 74 133 229 148 89 157 129 291 1.000 21.93 -6.7 96 93 96 99 656 9.0 0.049 -0.080 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1032 trans-Caffeic acid 22.1803 2119.9 2.6 scans 93% TIC 0.24% 0.280% 1530 1.1 299 102615 0.383% 1763038 1607922 2407777 1-0 0.999 22.25 -6.1 95 92 90 98 396 93.6 9.777 -0.070 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6496 2160.9 3.2 scans 90% 204 m/z 0.81% 0.0625% 1574 1.4 129 31468 0.103% 393489 364681 647522 1-0 20: 204 73 205 147 217 361 206 117 191 131 218 74 362 103 75 129 219 189 305 149 0.994 22.71 -5.6 95 92 95 98 518 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN WTF2-N1036 C18:0 23.3766 2225.6 2.9 scans 88% 341 m/z 3.0% 0.0280% 1643 1.7 86 8397 176455 160558 1-8 14: 341 117 75 132 145 342 129 55 57 343 81 83 74 56 0.997 22.89 43.8 89 94 90 94 356 11.8 1.867 0.488 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN BRA4_R~2-N1006 Spermidine 23.4924 2236.1 2.7 scans 66% TIC 14% 0.00535% 1654 0.7 42 1732 0.0282% 33667 30445 177283 2-1 0.957 23.51 -1.6 83 85 87 85 490 0.0 0.000 -0.017 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1100 2292.6 2.6 scans 62% 204 m/z 7.4% 0.00407% 1713 0.9 37 3460 0.00825% 25636 22605 51865 0-1 2: 204 337 0.928 24.01 9.1 85 87 76 85 490 0.0 0.000 0.100 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6350 2342.2 3.0 scans 94% 73 m/z 0.43% 0.214% 1763 0.5 223 58913 1346671 1268448 1-1 20: 73 147 331 217 191 421 205 262 103 307 319 332 305 259 218 74 117 89 192 422 0.995 24.65 -1.4 99 98 99 99 466 12.3 0.306 -0.015 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7308 2351.3 2.7 scans 82% 73 m/z 5.4% 0.0108% 1772 1.0 59 4708 0.140% 67934 60167 880127 2-8 9: 73 204 217 147 292 375 103 305 205 0.993 24.81 -7.1 81 81 78 81 451 6.3 1.146 -0.074 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5174 2527.3 3.2 scans 86% TIC 0.76% 0.115% 1942 1.4 175 33441 729130 728525 0-1 0.934 26.57 -5.8 99 99 94 99 512 60.8 12.135 -0.056 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1010 Sucrose 27.3939 2618.5 9.9 scans 100% 437 m/z 0.0073% 22.7% 2025 1.6 1496 3467906 142812854 142789322 1-0 19: 437 451 438 439 452 453 440 454 467 441 292 455 433 367 464 240 442 194 343 0.998 27.58 -19.7 100 99 98 99 437 290.6 3.803 -0.185 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1020 Sucrose 27.3939 2618.5 9.9 scans 9.7% 437 m/z (361) 0.043% 2.22% 2025 1.6 462 586572 13982807 13980503 1-0 19: 437 451 438 439 452 453 440 454 467 441 292 455 433 367 464 240 442 194 343 0.474 27.46 -7.1 94 98 94 99 437 289.9 39.546 -0.067 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1016 Sucrose 27.4076 2619.9 9.8 scans 54% 361 m/z (362) 0.016% 13.1% 2026 1.1 1108 1597900 82405304 81249463 1-1 20: 361 217 218 191 219 205 204 189 245 104 231 259 244 203 190 345 332 115 127 317 0.958 27.48 -7.4 83 80 92 96 437 16.9 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1014 Sucrose 27.4076 2619.9 9.9 scans 91% TIC 0.0074% 19.3% 2026 0.9 1433 3453595 22.1% 121462565 117141446 138934393 1-0 1.000 27.49 -8.8 100 100 99 100 437 290.6 4.148 -0.082 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1018 Sucrose 27.4076 2619.9 9.8 scans 60% 361 m/z (73) 0.0073% 14.5% 2026 1.1 1166 3467906 91237484 89957760 1-1 20: 361 217 218 191 219 205 204 189 245 104 231 259 244 203 190 345 332 115 127 317 0.927 27.47 -6.6 95 97 73 97 437 290.6 6.263 -0.062 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN TAB_REP6-N1070 Sucrose 27.4412 2623.5 >3 scans 43% 218 m/z (73) 0.011% 3.30% 2030 0.8 958 2288488 10.4% 20750145 20406867 65380891 0-1 18: 218 365 347 292 346 322 464 181 441 323 275 213 178 463 381 433 391 110 0.944 27.41 3.4 80 79 66 91 451 13.2 0.000 0.031 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1008 Sucrose 27.4518 2624.6 9.6 scans 100% 73 m/z 0.0083% 21.6% 2031 0.1 1466 3082803 135958218 133209442 1-1 20: 73 217 147 103 271 129 169 243 74 319 191 75 117 133 219 204 189 148 149 230 1.000 27.59 -14.9 100 99 97 99 437 266.2 3.318 -0.139 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN LQC1-N1006 Trehalose 28.5671 2746.0 3.3 scans 88% TIC 3.3% 0.0291% 2137 0.7 86 7565 0.0393% 183046 179710 247064 0-2 0.985 28.47 11.1 81 76 67 91 565 0.0 0.000 0.099 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN GUA35_L1-N1020 Galactinol 30.5989 2978.7 2.8 scans 94% 204 m/z 1.3% 0.0351% 2330 0.9 102 19069 220832 212165 1-4 20: 204 73 217 205 147 191 206 305 361 433 218 318 319 192 293 362 291 149 148 189 0.996 30.55 6.3 83 82 91 83 641 0.0 0.000 0.054 G:\GCMS data\Nicotiana Panel polar\P_BWA_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6753 3106.6 3.5 scans 70% 204 m/z 10% 0.00579% 2432 1.2 37 2557 36408 32982 2-2 5: 204 217 597 205 129 0.973 31.68 -0.0 83 84 74 84 597 7.3 3.852 0.000 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN EXBLK5S-N1006 Contamination 6.3532 1047.2 >5 scans 43% TIC 5.9% 0.132% 25 1.0 35 2509 0.186% 26923 24665 37711 1-0 0.960 6.63 -16.1 87 86 64 90 295 10.4 8.698 -0.272 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN LQC1-N1192 Contamination 8.0304 1146.6 2.4 scans 78% TIC 3.4% 0.273% 185 1.0 57 4308 55371 43674 4-2 0.971 7.99 2.4 91 90 87 93 235 10.7 3.515 0.041 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN LQC1-N1188 Contamination 8.3640 1166.4 4.5 scans 61% 281 m/z 5.0% 0.251% 217 1.6 40 2991 0.301% 50938 45616 61027 4-0 6: 281 369 282 283 147 265 0.990 8.41 -3.0 96 96 91 96 369 13.1 11.013 -0.051 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN LQC1-N1190 Contamination 8.4408 1170.9 2.9 scans 79% 73 m/z 2.1% 0.437% 224 1.2 65 6947 0.540% 88778 79415 109483 0-7 14: 73 140 211 77 198 70 69 126 74 186 113 170 72 215 0.989 8.48 -2.6 91 89 89 92 309 6.9 1.138 -0.043 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN LQC1-N1180 Benzoic acid 9.7539 1248.2 3.3 scans 47% 179 m/z 18% 0.0420% 348 0.7 19 798 8533 8533 1-0 4: 179 135 105 77 0.948 9.76 -0.3 87 90 77 90 194 0.0 0.000 -0.005 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN VEN77_S6-N1002 Glycerol 10.0696 1266.6 2.5 scans 74% 299 m/z 0.48% 1.14% 379 1.1 114 31199 231819 215410 1-2 17: 299 300 314 301 211 283 315 193 135 191 316 212 181 225 137 302 189 0.982 10.09 -1.4 99 98 93 99 299 69.5 37.059 -0.024 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN LACTIC~1-N1034 Glycerol 10.1022 1268.5 4.3 scans 79% 205 m/z (299) 1.7% 0.870% 381 0.6 76 8604 0.952% 176470 162409 193015 3-1 13: 205 147 117 103 218 175 148 206 129 204 118 219 119 0.986 10.11 -0.5 96 97 97 99 293 3.9 0.261 -0.008 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN A-AMYRIN-N1012 Contamination?? 10.2390 1276.5 2.7 scans 91% 73 m/z 1.1% 0.586% 395 0.9 79 13599 118907 113502 1-1 10: 73 198 77 211 74 70 239 72 143 212 0.989 10.24 -0.1 96 95 93 95 381 9.2 1.372 -0.001 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7535 1306.8 3.0 scans 97% 147 m/z 0.016% 42.9% 444 0.5 635 920278 8713031 8331760 2-1 20: 147 73 76 251 148 149 58 132 74 133 252 75 177 176 150 59 131 57 72 62 0.996 10.76 -0.3 99 97 96 100 251 148.7 5.508 -0.005 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4521 1348.9 3.1 scans 92% TIC 1.1% 0.701% 510 0.9 83 13349 0.820% 142268 134218 166252 1-3 0.995 11.45 0.4 100 99 99 99 145 22.6 7.474 0.006 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN WTF2-N1044 Dodecanol 14.7771 1558.9 2.6 scans 86% 243 m/z 4.5% 0.126% 826 1.2 40 3280 25611 25600 0-1 8: 243 75 244 89 103 97 83 69 0.987 14.24 35.5 90 95 81 95 243 22.5 32.093 0.535 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN A-AMYRIN-N1010 Contamination?? 16.2186 1657.1 2.8 scans 92% 290 m/z 0.75% 0.871% 963 1.7 88 19819 176660 162587 1-4 13: 290 73 291 292 158 117 131 392 144 293 115 393 72 0.997 16.28 -4.0 100 99 96 99 392 12.8 2.095 -0.057 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN 24_20_~1-N1033 d27-Myristic acid 18.4040 1815.0 3.2 scans 89% TIC 5.3% 0.322% 1171 1.2 54 2829 0.367% 65378 63216 74408 3-1 0.979 17.91 36.8 88 93 85 93 327 5.1 0.862 0.496 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN C14-N1006 C14:0 1TMS STD 18.6639 1834.9 2.9 scans 78% 285 m/z 16% 0.0590% 1195 1.2 25 932 11978 11978 0-0 3: 285 117 129 1.000 18.73 -4.8 84 87 72 87 300 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN NP_TAB~1-N1008 UNKp_Ntb Sugar 19.9min 19.9108 1931.6 2.6 scans 81% 204 m/z 6.3% 0.100% 1314 0.9 35 2371 20279 19527 1-1 5: 204 73 217 205 159 1.000 19.91 -0.1 86 86 81 86 361 0.0 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN WTF2-N1038 C16:0 21.1187 2030.0 2.7 scans 98% 313 m/z 0.46% 3.03% 1429 1.0 184 32503 616235 614834 0-2 20: 313 117 73 75 129 132 145 314 55 57 131 69 328 118 269 74 116 315 130 133 1.000 20.62 41.7 94 99 98 99 328 19.4 1.111 0.502 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN WTF2-N1036 C18:0 23.3735 2225.3 2.7 scans 93% 341 m/z 0.90% 1.49% 1643 1.2 130 16546 1.53% 302334 286572 310202 1-0 20: 341 117 73 75 129 132 342 145 55 57 356 131 343 118 69 74 201 56 83 133 0.991 22.89 43.5 92 97 94 97 356 17.0 1.713 0.485 G:\GCMS data\Nicotiana Panel polar\P_ExBlk5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5186 2527.4 2.7 scans 95% 512 m/z 0.67% 2.17% 1942 0.9 156 22141 440195 426385 1-1 20: 512 73 455 513 247 456 483 57 514 349 219 457 74 423 248 263 207 191 497 203 0.998 26.57 -5.7 99 98 95 98 512 56.3 13.034 -0.054 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN EXBLK5S-N1006 Contamination 6.6309 1063.7 5.8 scans 59% TIC 2.5% 0.0161% 52 0.9 54 9206 0.0794% 101514 99338 499014 3-0 0.968 6.63 0.4 96 96 88 96 295 16.5 9.253 0.006 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN A-KETO~2-N1006 Contamination?? 8.0040 1145.1 2.5 scans 78% 156 m/z 3.0% 0.0125% 182 1.2 57 7703 0.0367% 78919 71130 230653 6-3 5: 156 75 55 157 54 0.989 7.96 2.9 98 98 95 98 156 29.9 27.175 0.047 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1192 Contamination 8.0850 1149.9 2.5 scans 72% 73 m/z 3.6% 0.0101% 190 1.0 57 6275 0.0261% 63732 62297 164034 1-1 13: 73 147 133 220 235 72 59 146 100 103 148 86 89 0.947 7.99 5.7 95 96 87 95 235 10.7 3.475 0.096 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1188 Contamination 8.3828 1167.5 5.6 scans 86% 281 m/z 1.6% 0.0580% 218 2.2 83 14177 365111 309115 7-5 16: 281 147 73 369 282 283 370 265 249 371 266 207 191 148 284 267 0.988 8.41 -1.9 98 98 83 99 369 24.1 8.539 -0.032 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1186 Phosphate 8.6122 1181.1 2.7 scans 69% TIC 2.3% 0.0136% 240 1.2 53 9851 85636 76212 1-2 0.907 8.56 3.1 96 96 83 96 299 0.0 0.000 0.051 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1184 Valine 9.2246 1217.2 6.2 scans 58% 144 m/z 7.0% 0.00682% 298 0.3 29 3292 42869 42869 1-0 2: 144 218 0.921 9.19 2.2 91 92 81 91 218 9.6 11.010 0.037 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1180 Benzoic acid 9.7875 1250.1 3.3 scans 49% 179 m/z 15% 0.00293% 352 0.4 23 1516 18421 18421 0-0 3: 179 105 135 0.964 9.76 1.6 88 91 80 91 194 0.0 0.000 0.028 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN VEN77_S6-N1002 Glycerol 10.1305 1270.2 3.8 scans 97% 299 m/z 0.013% 2.93% 384 0.4 733 1700104 18464883 17704190 1-1 20: 299 300 73 314 301 211 133 283 207 315 193 147 191 316 135 225 74 298 115 181 0.997 10.09 2.2 100 99 95 100 299 444.3 36.991 0.037 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN A-AMYRIN-N1012 Contamination?? 10.2620 1277.9 2.7 scans 72% 73 m/z 3.5% 0.00772% 397 1.0 45 6589 48522 43670 1-4 5: 73 198 211 77 70 0.981 10.24 1.3 89 88 85 90 381 4.3 0.909 0.022 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1176 Isoleucine 10.4619 1289.6 3.0 scans 15% 158 m/z 4.6% 0.00514% 416 0.7 30 4946 0.0108% 32354 27029 67876 2-0 3: 158 218 159 0.971 10.46 0.2 85 87 61 86 260 2.9 0.917 0.003 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1012 Proline 10.5535 1294.9 3.3 scans 96% 142 m/z 0.044% 0.754% 425 0.5 369 518028 1.57% 4740102 4427619 9867162 4-0 20: 142 73 143 216 147 144 75 59 72 74 217 66 100 133 148 244 170 58 131 70 0.995 10.53 1.1 100 98 98 100 216 69.7 3.583 0.020 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1014 Maleic acid 10.6145 1298.5 2.8 scans 80% 147 m/z 0.40% 0.0737% 430 1.1 143 57822 1.21% 463470 463470 7604628 0-0 20: 147 73 148 245 75 83 149 246 74 84 133 59 143 61 58 66 53 72 85 126 0.961 10.60 0.7 99 98 98 99 245 30.1 4.428 0.013 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1170 Glycine 10.6798 1302.4 4.3 scans 56% TIC 2.3% 0.0103% 437 0.9 65 10015 1.14% 64792 64792 7164691 0-0 0.968 10.69 -0.4 97 97 92 97 276 10.9 2.828 -0.007 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7650 1307.5 2.7 scans 96% 147 m/z 0.032% 1.02% 445 0.7 496 724503 6471845 6209948 1-2 20: 147 73 76 251 148 149 132 58 74 133 252 75 177 150 176 59 57 72 131 62 0.994 10.76 0.4 99 97 96 100 251 113.3 5.242 0.007 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1168 Glyceric acid 11.0301 1323.5 2.4 scans 96% 73 m/z 0.39% 0.106% 470 0.9 177 59321 666261 664771 1-0 20: 73 147 292 189 133 103 205 293 190 117 102 307 75 148 74 59 294 149 134 101 0.998 11.05 -1.4 99 98 98 99 292 51.4 8.405 -0.024 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0964 1327.5 2.6 scans 70% 184 m/z 9.0% 0.00609% 476 1.1 40 2557 38318 37950 0-2 6: 184 134 285 174 86 77 0.977 11.06 2.0 92 94 82 93 285 12.1 9.202 0.033 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1162 Fumaric acid 11.3700 1343.9 2.5 scans 93% 245 m/z 0.56% 0.0674% 502 1.0 139 41043 423780 400403 2-1 18: 245 73 147 246 75 83 247 143 148 133 74 155 149 84 53 115 59 61 0.997 11.39 -1.4 92 90 92 92 245 69.0 24.579 -0.023 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4658 1349.7 3.7 scans 77% 57 m/z 1.7% 0.0229% 511 0.8 66 13032 0.0403% 144197 139936 253278 1-0 15: 57 97 145 115 56 127 55 69 59 111 129 109 128 83 71 0.987 11.45 1.2 93 92 92 94 145 18.8 8.208 0.020 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1160 Serine 11.5215 1353.1 2.5 scans 97% 204 m/z 0.12% 0.399% 517 0.8 324 183095 2509124 2507007 1-0 20: 204 73 218 205 147 100 219 188 278 206 133 75 74 306 116 220 59 189 132 148 1.000 11.56 -2.1 100 98 98 99 306 32.5 1.009 -0.035 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1024 Threonine 11.9235 1377.3 2.5 scans 97% 73 m/z 0.27% 0.169% 555 1.0 217 84605 1062241 1041851 2-0 20: 73 218 219 117 291 292 101 147 220 100 57 75 74 203 128 293 132 133 320 59 0.999 11.92 0.2 100 99 99 100 320 19.0 0.766 0.002 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1148 Glutamine?? 13.2903 1462.3 2.7 scans 92% 155 m/z 0.52% 0.0662% 685 1.0 129 43822 0.0899% 416176 398863 565005 2-2 20: 155 73 147 156 229 139 59 75 100 74 157 148 84 131 230 133 257 72 149 56 0.990 13.35 -3.6 98 97 96 98 257 9.5 0.544 -0.057 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1026 Malic acid 13.5354 1477.7 2.3 scans 98% 73 m/z 0.047% 0.788% 708 0.8 482 490663 4957748 4957748 0-0 20: 73 147 233 245 133 75 189 148 190 175 74 191 55 101 149 335 234 217 265 59 1.000 13.53 0.1 100 100 100 100 335 58.8 1.495 0.002 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1144 Contamination Parabanica acid 13.7417 1490.7 >3 scans 66% TIC 5.7% 0.0105% 728 1.3 51 4009 0.727% 66155 66155 4569062 0-0 0.981 13.81 -4.1 89 89 77 89 243 19.0 14.030 -0.064 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1142 Erythritol/Threitol 13.8300 1496.3 2.5 scans 94% TIC 0.46% 0.0950% 736 1.3 164 50255 0.183% 597293 569174 1150121 2-0 0.998 13.89 -3.8 96 93 96 99 320 13.3 0.654 -0.060 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1140 Aspartic acid 14.0173 1508.5 2.5 scans 23% 232 m/z (156) 0.38% 0.0711% 754 1.2 135 60685 447265 420800 1-2 19: 232 233 218 100 234 202 188 306 216 130 292 334 203 189 235 349 293 144 163 0.708 14.09 -4.6 93 97 54 95 349 9.8 0.523 -0.070 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1028 Aspartic acid 14.0173 1508.5 2.5 scans 23% 232 m/z 0.38% 0.0705% 754 1.2 136 60685 443226 417000 1-2 19: 232 233 218 100 234 202 188 306 216 130 292 334 203 189 235 349 293 144 163 0.916 14.02 0.0 96 95 90 99 258 6.4 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0415 1510.1 3.3 scans 95% 156 m/z 0.066% 0.565% 756 0.6 350 347458 3555088 3534622 0-1 20: 156 73 147 157 258 230 75 158 74 59 72 259 58 231 148 140 133 121 112 55 0.989 14.11 -4.6 99 97 96 99 273 12.8 0.135 -0.068 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN BRA4_R~2-N1002 4-Hydroxy Proline 14.1110 1514.7 2.8 scans 50% 230 m/z (142) 4.8% 0.00513% 763 1.1 36 4762 0.0521% 32285 32285 327439 0-0 3: 230 140 231 0.919 14.11 -0.1 84 86 87 100 230 23.5 42.883 -0.001 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1136 4-Hydroxy-Proline 14.1131 1514.9 >5 scans 65% TIC 4.8% 0.00678% 763 2.3 41 4767 0.638% 42660 42660 4009713 0-0 0.966 14.17 -3.4 81 79 67 85 332 3.8 0.850 -0.053 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1032 GABA 14.1846 1519.6 2.7 scans 93% TIC 0.21% 0.215% 770 1.0 234 106628 0.284% 1356244 1319078 1784888 2-6 0.989 14.19 -0.2 100 99 98 99 304 68.2 8.504 -0.003 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3540 1530.8 5.8 scans 83% TIC 1.8% 0.0271% 786 1.4 78 12463 0.341% 170399 134900 2143122 0-3 0.988 14.62 -17.8 94 94 89 94 409 5.5 0.498 -0.267 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3540 1530.8 2.4 scans 65% 292 m/z 2.4% 0.0170% 786 1.2 69 9283 107456 106887 0-2 6: 292 220 205 293 294 221 0.974 14.69 -22.4 93 94 87 93 409 5.3 0.596 -0.338 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1126 Pyrazine 15.0611 1577.7 3.1 scans 62% TIC 4.6% 0.00950% 853 1.4 47 4946 0.0447% 59755 54622 280931 1-0 0.834 15.13 -4.7 88 88 78 89 344 12.9 7.397 -0.071 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3694 1598.2 2.5 scans 49% 217 m/z 5.6% 0.00334% 882 1.2 33 4091 0.00556% 21004 21004 34944 0-0 1: 217 0.875 15.44 -4.8 85 87 77 86 393 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1120 Glutamic acid 15.4946 1606.8 2.5 scans 82% 246 m/z 1.8% 0.0199% 894 1.0 75 12475 125666 124289 0-1 10: 246 247 128 248 348 156 230 84 56 100 0.978 15.56 -4.5 96 96 91 96 363 6.4 0.744 -0.065 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1118 Phenylalanine 15.6009 1614.2 4.9 scans 88% TIC 0.74% 0.0692% 904 0.8 131 31002 0.121% 435480 408424 760463 2-0 0.995 15.66 -4.0 93 92 90 95 294 8.2 0.393 -0.058 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1040 Xylose 15.9944 1641.5 2.6 scans 86% TIC 1.2% 0.0348% 942 0.8 96 18709 0.0522% 219183 219183 328067 0-0 0.984 16.00 -0.6 97 96 94 97 307 24.9 6.764 -0.010 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1042 Ribose 16.0933 1648.4 2.7 scans 79% 73 m/z 1.4% 0.0248% 951 0.8 83 15490 0.0744% 155909 145671 467590 1-0 16: 73 103 307 217 147 308 160 189 89 74 218 133 277 309 117 205 0.986 16.10 -0.6 97 96 94 97 307 23.3 7.976 -0.010 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2164 1656.9 2.8 scans 22% 290 m/z 1.0% 0.0219% 963 1.9 68 22100 137900 127596 1-2 5: 290 291 292 392 393 0.547 16.28 -4.2 97 99 65 98 392 12.2 3.230 -0.060 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6047 1683.9 2.6 scans 92% TIC 0.41% 0.133% 1000 1.3 184 56243 0.175% 838857 779483 1099843 1-0 0.996 16.68 -4.9 100 99 98 99 497 5.9 0.103 -0.071 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1104 Rhamnose 16.8646 1702.0 2.9 scans 76% 73 m/z 1.2% 0.0294% 1024 1.0 90 18528 0.114% 184789 183310 716469 1-0 14: 73 117 160 147 277 118 161 219 131 321 75 74 119 163 0.927 16.93 -4.9 82 82 82 87 392 11.4 1.623 -0.067 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9151 1705.7 2.7 scans 80% 73 m/z 1.0% 0.0401% 1029 1.3 111 21537 0.476% 252634 252634 2991573 0-0 20: 73 217 147 103 205 319 307 218 204 129 308 243 320 206 309 133 189 277 203 219 0.986 16.99 -5.4 92 91 92 92 422 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9887 1711.1 2.8 scans 86% 73 m/z 0.67% 0.0774% 1036 1.3 142 34322 0.544% 486567 486456 3418940 0-1 20: 73 217 147 205 319 103 307 218 320 189 204 129 308 321 74 148 219 306 149 309 0.975 17.06 -5.4 93 92 92 92 510 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1096 Putrescine 17.1781 1724.9 2.6 scans 62% 174 m/z 0.41% 0.0510% 1054 1.3 114 56545 320912 308134 1-2 13: 174 175 214 172 86 176 200 100 361 128 126 376 362 0.993 17.25 -5.1 97 96 96 97 458 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3696 1738.9 3.1 scans 81% TIC 1.1% 0.0474% 1072 1.8 104 19552 0.438% 298311 296910 2752750 1-0 0.964 17.44 -5.4 97 97 95 97 511 7.2 0.483 -0.073 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5622 1752.9 2.7 scans 93% 217 m/z 0.13% 0.287% 1091 1.0 271 169143 0.374% 1804948 1717846 2350521 1-1 20: 217 73 218 147 450 219 305 191 451 232 74 257 133 75 129 148 169 149 452 203 0.998 17.63 -5.1 95 93 95 96 450 44.1 2.651 -0.070 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6884 1762.1 2.9 scans 43% 334 m/z (319) 3.0% 0.0354% 1103 0.8 88 7601 0.0487% 222707 200238 306071 1-3 12: 334 256 335 255 285 336 167 166 267 211 151 67 0.952 17.70 -0.8 87 89 76 89 375 13.4 2.318 -0.011 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1046 Shikimic acid 18.1177 1793.5 2.7 scans 52% 204 m/z 1.4% 0.0278% 1143 1.0 81 16027 0.0493% 175334 163040 309841 3-2 8: 204 205 206 357 254 255 372 359 0.960 18.13 -0.5 91 92 86 91 372 10.3 1.646 -0.007 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1082 Citric acid 18.2451 1802.9 2.6 scans 95% 273 m/z 0.10% 0.547% 1156 0.8 376 212823 3443806 3371124 4-0 20: 273 73 147 347 375 363 274 465 75 275 211 149 148 221 305 348 364 466 74 133 0.991 18.32 -5.8 98 97 97 99 465 56.0 2.217 -0.076 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1076 Pregnane?? 18.8038 1845.5 3.3 scans 97% 345 m/z 0.0083% 6.96% 1209 0.4 1201 2781549 43763584 41673719 1-1 20: 345 73 255 346 147 347 334 191 204 256 435 372 419 133 257 74 148 239 75 348 0.997 18.86 -4.2 100 100 99 100 537 89.1 0.554 -0.054 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1074 Adenine 18.8701 1850.6 2.9 scans 15% 264 m/z 6.6% 0.00292% 1215 1.4 26 3483 0.0106% 18390 16317 66619 1-0 2: 264 265 0.987 18.94 -5.3 86 86 75 92 415 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1050 Fructose 18.9669 1858.0 3.1 scans 97% 73 m/z 0.018% 3.73% 1224 0.5 907 1231817 23465441 22898628 3-0 20: 73 307 217 103 147 308 218 277 133 309 364 74 205 189 117 219 104 89 148 204 0.999 18.98 -1.0 100 99 100 100 364 101.1 1.249 -0.013 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1052 Fructose 19.0879 1867.2 2.7 scans 96% 73 m/z 0.023% 2.94% 1236 0.4 807 971961 18537880 18197064 1-1 20: 73 307 217 103 147 308 277 218 364 309 205 262 133 117 89 189 74 219 148 204 0.997 19.10 -1.2 100 99 99 99 364 90.9 1.273 -0.016 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1056 Glucose 19.1352 1870.8 >3 scans 55% 319 m/z 1.6% 0.0211% 1240 1.5 96 13700 4.52% 132831 132831 28407371 0-0 9: 319 73 205 160 320 147 321 217 206 0.975 19.33 -15.0 86 85 84 88 364 3.1 0.000 -0.197 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1064 Mannose 19.2899 1882.6 2.5 scans 98% 319 m/z 0.022% 2.69% 1255 0.7 857 1028572 16961685 16939906 1-0 20: 319 73 205 147 160 320 217 321 103 206 117 229 133 74 129 157 148 189 204 207 0.992 19.45 -12.6 100 99 99 100 319 321.9 14.172 -0.165 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1059 Glucose 19.5224 1900.4 2.7 scans 93% 73 m/z 0.11% 0.472% 1277 0.6 338 202299 2967888 2774774 1-1 20: 73 319 147 205 320 103 160 217 321 74 133 206 117 89 229 157 148 204 129 75 0.995 19.55 -2.3 100 99 98 99 376 12.5 0.138 -0.030 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1061 Lysine 19.5961 1906.3 2.7 scans 72% 174 m/z 2.0% 0.0269% 1284 1.0 85 11317 0.162% 169104 169104 1018140 0-0 17: 174 317 156 128 230 318 100 319 175 86 434 200 228 176 115 88 154 0.967 19.61 -1.3 91 89 84 98 434 8.9 1.112 -0.017 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.6960 1914.3 2.8 scans 88% TIC 0.80% 0.0637% 1293 1.3 127 28853 0.191% 400931 400931 1200400 0-0 0.991 19.79 -7.6 96 95 94 97 434 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1056 Ascorbic acid 19.8865 1929.6 3.0 scans 70% 73 m/z 1.0% 0.0465% 1312 0.7 104 21603 0.123% 292343 291014 773032 0-1 17: 73 332 147 205 117 333 334 359 361 74 259 449 331 149 148 304 131 0.936 19.99 -8.1 92 92 88 93 449 10.2 0.967 -0.100 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2810 1961.3 2.7 scans 94% 73 m/z 0.17% 0.306% 1349 1.1 287 134813 1926805 1846966 1-1 20: 73 217 147 394 103 307 333 395 218 205 277 433 396 74 148 308 189 305 133 191 0.985 20.30 -1.2 100 99 99 99 433 32.7 1.295 -0.015 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1052 Gluconic acid 2 20.4978 1978.8 >3 scans 61% 73 m/z 3.2% 0.0235% 1370 1.7 65 7107 0.101% 148097 80733 634766 0-7 10: 73 292 147 319 293 217 205 333 305 359 0.941 20.60 -7.9 82 82 79 82 613 0.0 0.000 -0.099 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN WTF2-N1038 C16:0 21.1228 2030.3 2.7 scans 87% TIC 1.2% 0.0511% 1429 1.1 121 19186 0.0655% 321738 320896 411655 0-1 0.975 20.62 42.0 90 95 94 97 328 11.4 0.900 0.506 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6899 2078.0 5.3 scans 99% 507 m/z 0.011% 13.4% 1483 0.3 1354 2046808 84657551 84611579 1-0 20: 507 369 508 435 71 421 380 269 405 365 76 327 185 342 511 524 323 408 437 233 0.996 21.75 -4.9 100 100 99 100 507 105.8 0.613 -0.059 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1042 myo-Inositol 21.6963 2078.5 4.9 scans 80% 305 m/z (369) 0.010% 10.7% 1484 0.2 1265 2212137 67269489 66441152 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 320 367 433 133 129 291 219 0.980 21.77 -6.6 93 94 95 98 318 368.0 8.484 -0.078 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8594 2092.2 3.1 scans 95% 319 m/z 0.049% 1.53% 1499 1.0 571 465534 9659907 8878726 3-1 20: 319 73 205 147 320 217 103 321 206 204 117 74 229 133 157 148 89 129 291 75 0.998 21.93 -5.9 95 92 96 99 656 12.8 0.051 -0.071 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1750 2119.5 2.5 scans 91% 396 m/z 0.28% 0.194% 1529 0.9 233 81828 1224123 1117642 5-4 19: 396 219 73 397 381 220 398 191 307 249 293 382 75 74 308 233 383 399 221 0.984 22.19 -1.0 99 97 95 99 396 97.5 17.524 -0.011 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6496 2160.9 3.4 scans 91% 204 m/z 0.32% 0.152% 1574 1.1 180 70687 0.234% 960825 879706 1470647 2-0 20: 204 73 205 147 217 249 206 117 361 131 145 75 74 191 129 218 103 189 133 219 0.996 22.71 -5.6 93 89 92 99 518 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN BRA4_R~4-N1012 Spermidine 22.8842 2181.4 3.2 scans 36% 174 m/z 19% 0.00371% 1596 1.6 27 1179 23354 23354 0-0 3: 174 200 201 0.772 22.90 -1.4 90 96 79 96 418 4.7 2.985 -0.016 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN WTF2-N1036 C18:0 23.3766 2225.6 2.7 scans 86% 341 m/z 1.7% 0.0418% 1643 1.3 101 13457 263241 245808 1-10 19: 341 117 75 342 129 132 145 55 57 356 69 343 56 118 201 71 83 76 131 0.981 22.89 43.8 91 96 93 96 356 12.9 1.635 0.488 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN BRA4_R~2-N1006 Spermidine 23.4924 2236.1 3.4 scans 48% TIC 14% 0.00266% 1654 0.7 36 1611 0.0396% 16750 16750 248879 0-0 0.922 23.51 -1.6 82 85 82 84 490 0.0 0.000 -0.017 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1037 2292.0 >3 scans 76% TIC 2.1% 0.0140% 1712 1.4 66 10774 0.110% 88532 86504 691330 1-0 0.968 24.01 8.5 91 92 88 92 490 0.0 0.000 0.094 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6393 2342.6 3.0 scans 95% 73 m/z 0.093% 0.778% 1763 1.0 428 248043 0.985% 4894374 4894374 6190544 0-0 20: 73 147 331 217 191 421 205 262 307 103 319 332 305 259 204 117 422 333 74 218 1.000 24.65 -1.0 95 92 96 100 466 26.0 0.368 -0.011 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7276 2351.0 2.7 scans 93% 73 m/z 0.39% 0.172% 1772 1.0 207 58610 0.850% 1084017 1005913 5342094 1-3 20: 73 204 217 147 292 375 103 305 219 205 129 451 218 376 74 233 275 306 293 337 0.993 24.81 -7.4 98 97 97 97 451 22.4 1.167 -0.077 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4459 2519.9 2.6 scans 97% 73 m/z 0.032% 1.93% 1935 0.8 730 710362 12186890 11981325 2-1 20: 73 217 204 147 129 740 218 175 305 205 741 361 273 191 232 117 74 219 131 742 1.000 26.52 -7.7 100 99 99 99 740 110.2 2.292 -0.075 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5185 2527.4 2.7 scans 50% 512 m/z (361) 0.56% 0.120% 1942 1.0 172 41177 758456 692970 1-1 19: 512 455 513 247 456 57 514 483 457 263 349 497 248 484 423 409 515 235 309 0.868 26.57 -5.7 94 97 86 97 512 62.6 13.241 -0.055 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1010 Sucrose 27.3981 2618.9 14.4 scans 99% 437 m/z 0.0069% 29.2% 2025 2.4 1308 3359198 183580239 180342265 1-1 20: 437 451 438 450 440 365 332 159 347 135 156 322 366 316 222 249 433 379 248 393 0.997 27.58 -19.3 100 99 98 99 437 257.8 3.913 -0.181 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1020 Sucrose 27.3981 2618.9 14.4 scans 9.8% 437 m/z (361) 0.039% 2.94% 2025 2.4 412 581855 18495133 18168917 1-1 20: 437 451 438 450 440 365 332 159 347 135 156 322 366 316 222 249 433 379 248 393 0.753 27.46 -6.7 94 97 95 98 437 260.0 39.919 -0.063 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1014 Sucrose 27.4044 2619.6 14.4 scans 90% 361 m/z 0.0069% 26.5% 2026 1.9 1265 3312407 28.4% 166948858 162279672 178488792 1-0 20: 361 362 363 319 364 320 231 345 171 257 245 233 273 173 116 435 215 289 306 206 0.999 27.49 -9.1 100 100 99 100 437 258.4 4.208 -0.086 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1016 Sucrose 27.4076 2619.9 14.5 scans 49% 319 m/z (361) 0.016% 15.2% 2026 1.9 934 1437373 16.5% 95787681 92951789 103699474 1-0 20: 319 218 191 204 231 219 345 171 245 221 203 273 116 435 155 215 151 333 193 206 0.951 27.48 -7.4 86 87 91 94 437 16.1 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1018 Sucrose 27.4076 2619.9 14.5 scans 65% 319 m/z (217) 0.0068% 20.1% 2026 1.9 1075 3372337 21.9% 126929006 123171145 137637484 1-0 20: 319 218 191 204 231 219 345 171 245 221 203 273 116 435 155 215 151 333 193 206 0.964 27.47 -6.6 88 90 73 90 437 260.0 5.887 -0.062 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1008 Sucrose 27.4718 2626.8 >12 scans 100% 73 m/z 0.0081% 24.7% 2032 0.2 1266 2827734 28.9% 155816175 151094489 181631200 1-0 1: 73 1.000 27.59 -12.7 100 99 97 99 437 224.9 3.175 -0.119 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN TAB_REP6-N1070 Sucrose 27.5054 2630.4 >2 scans 64% 361 m/z (73) 0.012% 2.67% 2036 1.7 991 1839168 20.7% 16781896 16781896 130095704 0-0 20: 361 217 362 147 271 363 437 218 243 169 319 191 129 219 205 272 204 189 230 331 0.975 27.41 10.3 91 90 88 97 451 47.2 0.000 0.095 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN LQC1-N1006 Trehalose 28.3830 2725.3 3.0 scans 57% 361 m/z 2.3% 0.0198% 2119 1.0 70 9715 0.0463% 124854 124854 290987 0-0 4: 361 362 363 191 0.931 28.47 -9.6 87 86 77 91 565 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN GUA35_L1-N1020 Galactinol 30.4632 2962.6 3.1 scans 65% 204 m/z (345) 0.65% 0.0956% 2317 0.9 141 35368 0.253% 601264 563914 1590059 1-0 19: 204 217 191 205 305 433 129 103 641 218 318 343 306 434 192 319 291 243 642 0.977 30.55 -9.8 94 95 93 97 641 13.8 0.956 -0.082 G:\GCMS data\Nicotiana Panel polar\P_GLAU_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6006 3097.7 2.7 scans 94% TIC 0.060% 0.789% 2425 0.9 448 381535 6.32% 4964671 4567009 39720041 0-4 0.999 31.68 -8.9 98 97 98 99 597 79.8 3.176 -0.074 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN EXBLK5S-N1006 Contamination 6.3479 1046.9 6.9 scans 50% 207 m/z 2.1% 0.0502% 25 1.9 57 9014 184301 156527 7-2 5: 207 295 208 73 209 0.977 6.63 -16.4 95 95 86 96 295 17.8 9.840 -0.277 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1194 Alanine 7.4401 1111.6 12.3 scans 39% 116 m/z 2.6% 0.0445% 129 0.6 43 7444 0.0539% 163344 163344 197663 0-0 1: 116 0.770 7.40 2.1 88 93 74 91 283 0.0 0.000 0.036 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN A-KETO~2-N1006 Contamination?? 7.9567 1142.2 2.6 scans 80% TIC 2.3% 0.0200% 178 1.1 62 8423 0.0613% 73517 72640 224800 0-1 0.983 7.96 0.0 98 98 95 98 156 32.3 27.463 -0.000 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1192 Contamination 8.0399 1147.2 2.6 scans 61% TIC 5.4% 0.00963% 186 1.4 44 3564 0.0472% 35348 30264 173092 2-1 0.908 7.99 3.0 91 92 84 91 235 8.9 4.073 0.051 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1188 Contamination 8.3713 1166.8 3.6 scans 79% 281 m/z 2.4% 0.0387% 217 1.4 63 7852 0.0498% 141922 115960 182627 7-3 10: 281 147 73 369 282 283 249 265 191 148 0.987 8.41 -2.6 97 97 82 98 369 18.3 8.476 -0.044 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1186 Phosphate 8.5765 1179.0 2.4 scans 39% 241 m/z 4.6% 0.00676% 237 1.2 34 4183 24811 24811 1-0 3: 241 242 211 0.908 8.56 1.0 91 91 71 93 299 0.0 0.000 0.015 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1184 Valine 9.1983 1215.6 3.0 scans 83% 144 m/z 1.2% 0.0479% 296 0.5 74 15182 0.0504% 175851 146802 184827 9-2 12: 144 73 218 145 147 219 100 74 146 132 128 59 0.992 9.19 0.6 98 98 95 98 218 22.1 8.925 0.010 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1180 Benzoic acid 9.7591 1248.5 2.7 scans 43% 179 m/z 15% 0.00397% 349 1.2 25 1290 14558 14558 0-0 3: 179 105 135 0.925 9.76 -0.0 82 82 72 90 194 0.0 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN VEN77_S6-N1002 Glycerol 10.1148 1269.3 3.7 scans 98% 299 m/z 0.0063% 8.09% 383 0.5 994 3045647 29677642 29677642 0-0 20: 299 300 73 314 301 133 283 211 315 207 147 193 191 316 302 135 225 298 74 115 0.999 10.09 1.3 100 98 95 99 299 614.0 38.421 0.021 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN A-AMYRIN-N1012 Contamination?? 10.2463 1277.0 2.6 scans 60% 73 m/z 3.8% 0.00960% 395 1.1 38 5113 35235 30454 2-2 4: 73 198 211 77 0.913 10.24 0.4 87 87 81 87 381 3.1 0.664 0.006 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1176 Isoleucine 10.4420 1288.4 2.6 scans 86% 158 m/z 0.82% 0.0547% 414 0.9 93 23570 200794 173013 5-1 11: 158 73 218 159 232 160 100 74 219 132 144 0.994 10.46 -1.0 99 98 96 99 260 7.1 0.588 -0.017 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1174 Proline 10.5283 1293.5 2.6 scans 53% 142 m/z 2.0% 0.0134% 422 1.1 46 9665 0.0148% 49160 48375 54275 1-0 3: 142 216 143 0.933 10.55 -0.9 92 93 84 93 142 34.6 57.548 -0.017 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1014 Maleic acid 10.6009 1297.7 2.6 scans 91% 147 m/z 0.31% 0.126% 429 1.4 146 61781 1.11% 463436 451930 4070605 2-0 20: 147 73 245 148 75 83 149 74 133 246 84 59 115 72 170 126 143 155 61 242 0.994 10.60 -0.1 99 98 98 99 245 32.2 4.862 -0.001 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1170 Glycine 10.6651 1301.5 2.7 scans 34% 174 m/z (73) 2.1% 0.0173% 435 0.9 49 8911 0.0285% 63606 53391 104516 4-1 6: 174 248 175 86 276 249 0.860 10.69 -1.3 88 91 68 90 276 8.7 3.138 -0.022 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7461 1306.4 2.4 scans 95% 147 m/z 0.033% 1.27% 443 0.7 457 578589 1.37% 4658926 4306516 5024080 5-2 20: 147 73 76 251 148 149 132 58 74 133 252 75 177 176 150 59 118 62 131 253 0.991 10.76 -0.7 99 97 96 99 251 105.2 5.311 -0.012 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1168 Glyceric acid 11.0197 1322.9 2.4 scans 95% 73 m/z 0.39% 0.159% 469 1.0 170 49863 0.162% 583682 573441 594088 1-1 20: 73 147 189 292 133 103 205 293 102 190 117 148 307 74 75 59 294 101 149 175 0.996 11.05 -2.0 99 98 98 99 292 48.6 8.190 -0.034 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0860 1326.8 2.7 scans 70% 184 m/z 5.4% 0.0147% 475 0.9 50 3557 0.0246% 54087 52339 90213 0-1 10: 184 134 285 174 86 77 100 286 59 185 0.953 11.06 1.3 92 92 86 94 285 15.2 9.183 0.023 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1018 Uracil 11.1428 1330.3 2.5 scans 46% 241 m/z 13% 0.00364% 480 1.1 25 1438 13357 13357 0-0 4: 241 255 256 99 0.874 11.15 -0.3 94 96 93 97 256 8.8 12.457 -0.005 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1162 Fumaric acid 11.3596 1343.3 2.4 scans 92% 245 m/z 0.51% 0.0880% 501 1.1 127 37996 322729 302014 2-1 20: 245 73 147 246 75 247 143 83 84 149 133 155 148 115 240 53 74 61 59 127 0.995 11.39 -2.0 99 98 96 98 245 68.6 29.380 -0.033 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4616 1349.5 2.9 scans 15% 57 m/z (84) 1.0% 0.0462% 511 1.0 79 17877 0.0548% 169644 160840 200963 1-0 11: 57 97 145 127 115 69 129 128 109 111 98 0.921 11.45 1.0 86 89 84 93 145 24.3 9.391 0.016 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN WTF2-N1024 Contamination 10.96min 11.4837 1350.8 2.9 scans 88% 84 m/z (204) 0.088% 0.624% 513 1.0 296 219272 2288767 2125096 3-2 20: 84 133 161 162 119 92 51 65 118 78 82 85 63 50 130 91 134 52 77 104 0.999 10.96 31.8 93 96 97 100 161 70.0 5.599 0.528 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1020 Serine 11.5132 1352.6 2.4 scans 88% 204 m/z 0.094% 0.659% 516 0.8 343 205292 2418461 2395328 2-0 20: 204 73 218 205 147 100 219 278 206 74 75 306 220 59 116 189 216 101 279 203 0.990 11.51 -0.0 100 99 98 99 306 35.3 1.062 0.000 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN BRA4_R~2-N1008 Thymine 11.5952 1357.5 2.6 scans 30% 255 m/z 10% 0.00240% 524 1.0 20 1851 8831 8831 0-0 3: 255 270 256 0.970 11.58 0.7 95 97 81 97 270 8.2 17.050 0.011 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1024 Threonine 11.9162 1376.8 2.4 scans 95% 73 m/z 0.35% 0.185% 554 1.1 184 54638 678676 647794 1-1 20: 73 218 219 117 291 292 101 147 220 57 100 293 203 75 74 128 133 202 59 221 0.999 11.92 -0.3 100 99 99 100 320 16.5 0.805 -0.005 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1148 Glutamine?? 13.2872 1462.1 2.5 scans 27% 155 m/z 3.5% 0.00649% 684 1.0 33 5448 23807 23807 0-0 3: 155 229 139 0.508 13.35 -3.8 83 93 53 89 257 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1146 Malic acid 13.5481 1478.5 3.0 scans 98% 73 m/z 0.017% 4.24% 709 0.6 779 1101780 15566244 15553969 1-0 20: 73 147 233 245 133 189 75 190 148 335 191 175 74 149 101 55 234 265 59 217 0.999 13.62 -4.3 100 99 99 99 350 19.7 0.064 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1144 Contamination Parabanica acid 13.7480 1491.1 2.7 scans 93% TIC 0.55% 0.170% 728 1.1 170 35064 0.457% 624841 583756 1675916 0-2 0.997 13.81 -3.7 99 98 98 99 243 63.4 13.974 -0.058 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1142 Erythritol/Threitol 13.8290 1496.2 2.5 scans 93% TIC 0.39% 0.176% 736 1.2 175 49708 0.457% 647458 601235 1675916 2-0 0.994 13.89 -3.9 98 96 97 99 320 15.5 0.788 -0.061 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1028 Aspartic acid 14.0121 1508.2 2.6 scans 31% 232 m/z (156) 0.57% 0.0693% 753 1.2 105 34047 254500 250322 0-1 16: 232 233 218 100 234 202 188 216 292 130 306 204 334 349 235 203 0.699 14.02 -0.3 94 95 92 99 258 4.9 0.000 -0.005 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0321 1509.5 3.5 scans 91% TIC 0.10% 0.564% 755 0.7 267 183492 2068710 2067254 1-0 0.987 14.03 0.2 99 98 98 99 258 51.5 3.725 0.002 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0342 1509.6 3.1 scans 92% 156 m/z 0.10% 0.523% 755 0.7 268 191103 1920318 1905670 1-0 20: 156 73 147 230 157 258 158 59 259 231 58 140 148 72 86 112 55 84 85 155 0.988 14.11 -5.1 99 97 96 99 273 10.4 0.150 -0.076 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1032 GABA 14.1805 1519.3 2.6 scans 95% 174 m/z 0.15% 0.391% 769 1.0 254 122229 1435960 1393316 3-1 20: 174 73 304 147 175 305 75 86 176 306 59 216 143 246 172 130 133 100 148 142 0.999 14.19 -0.5 100 99 99 100 304 73.6 8.393 -0.008 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3499 1530.6 2.7 scans 49% 292 m/z 5.4% 0.0127% 785 1.6 46 3559 46642 44259 1-1 4: 292 220 205 293 0.932 14.69 -22.6 90 92 79 91 409 3.0 0.428 -0.342 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3509 1530.6 >3 scans 79% TIC 2.5% 0.0237% 785 2.1 58 7560 0.491% 87194 87194 1800601 0-0 0.979 14.62 -18.0 89 89 84 89 409 3.2 0.304 -0.270 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3684 1598.1 3.3 scans 63% TIC 4.1% 0.00888% 882 2.5 39 4737 0.0199% 32582 32582 72978 0-0 0.924 15.44 -4.9 86 85 79 90 393 0.0 0.000 -0.072 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1118 Phenylalanine 15.5946 1613.7 2.7 scans 61% 218 m/z 2.8% 0.0255% 903 1.1 63 6757 93858 93858 0-0 7: 218 192 219 91 266 100 220 0.894 15.66 -4.5 92 96 83 95 294 4.6 0.536 -0.064 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1038 Xylose 15.8787 1633.5 5.4 scans 61% TIC 5.4% 0.0130% 931 2.3 41 3603 0.0649% 47746 45579 238002 1-0 0.933 15.89 -0.7 89 90 83 90 307 11.9 8.300 -0.011 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1040 Xylose 15.9945 1641.5 2.6 scans 89% 73 m/z 0.96% 0.0628% 942 1.0 103 20250 0.0767% 230487 227212 281275 4-0 15: 73 103 307 217 308 160 189 74 218 277 104 89 234 105 191 0.988 16.00 -0.6 94 91 94 98 307 26.1 6.364 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1042 Ribose 16.0923 1648.3 3.1 scans 80% TIC 2.1% 0.0254% 951 0.9 64 9005 0.248% 93382 92474 909469 1-0 0.978 16.10 -0.7 95 95 91 94 307 16.8 6.943 -0.011 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2144 1656.8 3.1 scans 83% TIC 0.89% 0.0567% 963 1.4 83 21666 0.167% 208214 207143 612424 1-0 0.976 16.28 -4.3 98 97 93 99 392 13.8 2.761 -0.062 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1108 Ribose 16.3080 1663.3 3.6 scans 81% TIC 1.5% 0.0521% 971 0.6 81 12921 0.162% 191215 191215 594088 0-0 0.977 16.38 -4.6 91 90 89 94 467 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6026 1683.7 2.6 scans 92% 73 m/z 0.61% 0.126% 999 1.4 142 31554 0.187% 463161 463161 685769 0-0 20: 73 307 319 147 103 217 320 308 205 309 129 306 321 277 74 218 148 133 243 229 0.998 16.68 -5.1 100 99 98 99 497 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9141 1705.6 2.7 scans 81% 73 m/z 1.2% 0.0488% 1029 1.3 96 15229 0.391% 179008 179008 1433880 0-0 20: 73 217 147 103 319 205 307 204 218 129 243 308 189 320 206 148 191 219 203 74 0.972 16.99 -5.5 93 92 92 93 422 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9867 1710.9 2.6 scans 90% TIC 0.77% 0.0877% 1036 1.0 124 25009 0.556% 321694 319389 2038970 0-1 0.994 17.06 -5.6 93 92 93 92 510 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1044 Putrescine 17.1772 1724.8 2.7 scans 76% 174 m/z (73) 0.62% 0.0597% 1054 1.2 98 31240 219009 213681 0-1 15: 174 175 214 86 172 176 200 100 361 173 142 126 187 114 376 0.989 17.19 -0.8 97 98 97 99 376 7.4 0.579 -0.011 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1096 Putrescine 17.1772 1724.8 2.7 scans 63% 174 m/z 0.62% 0.0489% 1054 1.2 89 31363 179454 175088 0-1 15: 174 175 214 86 172 176 200 100 361 173 142 126 187 114 376 0.983 17.25 -5.2 98 97 96 98 458 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3676 1738.7 2.6 scans 50% 333 m/z 5.8% 0.00913% 1072 1.1 39 3326 33486 33486 0-0 3: 333 292 307 0.868 17.44 -5.6 85 87 75 86 511 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5612 1752.9 2.5 scans 97% 217 m/z 0.068% 0.774% 1091 0.9 360 282497 2840577 2834169 1-0 20: 217 73 147 218 450 219 305 191 74 451 232 257 133 75 148 129 149 169 203 452 1.000 17.63 -5.1 94 92 95 95 450 59.8 2.768 -0.071 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6843 1761.8 5.5 scans 80% TIC 1.0% 0.0748% 1102 1.6 116 18992 0.907% 274642 274642 3326161 0-0 0.986 17.70 -1.1 97 97 94 97 375 13.1 1.279 -0.015 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1046 Shikimic acid 18.1136 1793.2 2.6 scans 49% 204 m/z 1.0% 0.0405% 1143 0.9 79 17773 148852 129088 3-3 7: 204 205 357 206 255 372 254 0.710 18.13 -0.8 89 91 66 92 372 11.1 1.966 -0.011 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1082 Citric acid 18.2399 1802.5 2.5 scans 94% 73 m/z 0.14% 0.540% 1155 1.0 307 131323 1982834 1843036 4-1 20: 73 273 147 347 375 363 274 465 75 275 211 149 74 148 305 376 348 364 133 257 0.998 18.32 -6.2 99 98 97 99 465 46.2 2.264 -0.081 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN WTF2-N1048 Ntb_Hexose 18.4min 18.7344 1840.2 2.8 scans 47% 307 m/z (345) 3.8% 0.0259% 1202 1.4 59 5123 95235 86720 1-2 7: 307 103 308 277 364 309 89 0.907 18.40 25.2 85 90 74 89 364 7.9 1.772 0.330 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1076 Pregnane?? 18.7639 1842.5 2.6 scans 93% TIC 0.20% 0.370% 1205 0.9 238 93598 1360317 1298263 1-2 0.988 18.86 -7.2 99 98 95 98 537 17.2 0.520 -0.094 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1072 Fructose 18.9543 1857.0 2.7 scans 98% 73 m/z 0.019% 4.46% 1223 0.7 840 1020622 16386621 16097969 4-0 20: 73 217 307 103 147 308 277 218 133 309 364 189 74 117 205 219 104 89 148 191 1.000 19.03 -6.0 100 99 99 100 364 93.2 1.236 -0.079 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1052 Fructose 19.0753 1866.2 3.0 scans 94% 73 m/z 0.029% 3.78% 1234 0.4 675 650661 13880429 12566972 2-1 20: 73 307 217 103 147 308 218 277 364 309 262 74 133 205 89 117 219 148 104 189 0.997 19.10 -2.2 100 99 99 99 364 76.0 1.272 -0.029 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1064 Mannose 19.2794 1881.8 2.4 scans 98% 319 m/z 0.025% 3.17% 1254 0.7 745 754765 11635574 11635574 0-0 20: 319 73 205 147 160 320 217 321 103 206 117 133 74 229 129 157 148 204 189 75 0.995 19.45 -13.4 100 99 99 100 319 274.9 13.669 -0.176 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1059 Glucose 19.5120 1899.5 2.9 scans 90% 73 m/z 0.12% 0.618% 1276 0.8 301 150347 2269423 2097572 1-1 20: 73 319 147 205 320 103 160 217 321 74 133 89 117 204 206 148 229 157 291 75 0.985 19.55 -3.2 99 98 98 98 376 11.0 0.134 -0.040 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1061 Lysine 19.5930 1906.0 2.7 scans 80% 73 m/z 1.2% 0.0673% 1284 1.0 104 15314 246895 232388 1-1 20: 73 174 317 156 318 128 230 175 100 147 319 86 115 434 130 200 329 74 59 154 0.973 19.61 -1.6 88 83 81 98 434 10.7 1.045 -0.020 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.6940 1914.1 2.8 scans 87% 73 m/z 0.76% 0.0937% 1293 1.5 123 25492 0.271% 343824 327905 993814 1-0 19: 73 147 205 117 103 148 206 59 74 133 75 101 83 84 118 131 189 129 72 0.987 19.79 -7.8 94 94 93 94 434 0.0 0.000 -0.097 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1056 Ascorbic acid 19.8823 1929.3 2.5 scans 72% 332 m/z 1.0% 0.0624% 1311 1.0 104 18745 0.0906% 228838 221009 332249 0-1 13: 332 333 374 359 334 345 449 375 331 361 360 303 215 0.892 19.99 -8.4 91 90 86 94 449 10.3 0.990 -0.104 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2727 1960.7 2.9 scans 85% 73 m/z 1.0% 0.0742% 1348 1.1 104 18654 272106 246420 3-1 19: 73 191 147 217 103 307 206 192 435 218 395 129 74 333 133 189 148 117 149 0.964 20.30 -1.8 81 79 74 87 433 8.6 0.681 -0.023 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1048 Galactaric acid 21.0650 2025.5 2.7 scans 69% TIC 5.2% 0.0109% 1424 1.3 44 3679 0.0802% 40225 40225 294110 0-0 0.942 21.15 -7.2 84 84 77 86 627 0.0 0.000 -0.086 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN WTF2-N1038 C16:0 21.1218 2030.2 2.7 scans 89% 313 m/z 1.1% 0.0887% 1429 1.0 120 17625 0.0920% 325418 292141 337383 1-6 20: 313 73 117 75 314 129 132 145 55 57 328 69 131 269 315 201 130 74 76 56 0.993 20.62 41.9 86 88 93 97 328 12.8 1.138 0.505 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6795 2077.1 4.3 scans 98% 507 m/z 0.010% 17.8% 1482 0.3 1348 1912573 65410521 65372842 1-0 20: 507 508 435 509 420 436 370 510 295 104 613 128 614 346 437 224 68 233 523 246 0.998 21.75 -5.8 100 100 100 100 507 107.2 0.634 -0.070 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8510 2091.5 3.2 scans 95% 73 m/z 0.11% 0.896% 1498 1.1 336 164188 3289417 3048030 3-1 20: 73 319 205 147 320 103 217 321 262 117 206 204 74 133 148 89 229 157 75 129 0.996 21.93 -6.6 96 93 96 99 656 8.1 0.058 -0.079 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1709 2119.1 2.6 scans 80% 396 m/z 0.65% 0.128% 1529 1.1 145 29606 0.148% 472158 472158 542747 0-0 19: 396 219 73 397 381 398 220 307 191 293 382 249 74 399 308 192 233 383 175 0.929 22.19 -1.4 98 98 93 99 396 60.5 17.424 -0.015 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6517 2161.1 3.5 scans 94% TIC 0.22% 0.333% 1574 1.0 207 87587 0.562% 1221778 1168273 2060973 1-0 0.997 22.71 -5.4 91 87 91 98 518 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN WTF2-N1036 C18:0 23.3746 2225.4 2.8 scans 89% TIC 1.5% 0.0727% 1643 0.6 103 12907 0.155% 266681 254848 568418 0-3 0.986 22.89 43.6 91 97 93 96 356 13.8 1.814 0.486 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN BRA4_R~2-N1006 Spermidine 23.4914 2236.0 2.7 scans 74% 144 m/z 3.4% 0.0300% 1654 1.0 69 5566 110019 106907 1-1 19: 144 174 116 156 160 86 172 170 142 100 175 130 214 128 157 146 145 115 186 0.971 23.51 -1.7 92 91 94 97 490 6.3 0.828 -0.018 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1027 2291.9 2.6 scans 70% 204 m/z 2.4% 0.0207% 1712 1.4 57 8083 0.0492% 76079 70743 180427 1-1 4: 204 337 205 338 0.966 24.01 8.4 90 91 86 91 490 0.0 0.000 0.093 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6362 2342.3 3.2 scans 90% 73 m/z 0.17% 0.731% 1763 0.5 285 112692 0.873% 2683207 2536888 3201476 2-2 20: 73 331 147 191 217 421 262 307 205 103 319 332 305 259 422 333 376 423 218 89 0.972 24.65 -1.3 97 96 96 99 466 16.1 0.318 -0.014 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7288 2351.1 2.6 scans 92% 73 m/z 0.45% 0.211% 1772 1.0 185 43234 0.807% 775703 697880 2959440 1-3 20: 73 204 217 147 292 375 305 103 219 218 451 376 205 293 133 306 275 74 206 148 0.992 24.81 -7.3 97 96 96 96 451 21.5 1.356 -0.076 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3386 2508.8 3.4 scans 73% TIC 2.1% 0.0329% 1925 1.4 62 8869 0.565% 120998 109975 2071975 1-0 0.971 26.35 -1.2 84 84 78 83 495 12.4 4.008 -0.011 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4302 2518.3 2.8 scans 92% 73 m/z 0.36% 0.234% 1934 1.2 192 53058 0.554% 858777 856178 2031635 2-0 20: 73 217 204 147 129 218 305 175 205 219 74 742 273 361 232 406 131 191 115 117 0.998 26.52 -9.3 98 97 96 97 740 28.0 2.144 -0.091 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5196 2527.5 2.7 scans 65% 512 m/z 0.62% 0.174% 1942 1.0 168 31335 639379 616189 1-1 17: 512 455 513 247 456 514 57 483 457 349 263 248 484 423 497 409 498 0.969 26.57 -5.6 98 97 89 98 512 62.3 13.756 -0.053 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1014 Sucrose 27.3971 2618.8 7.5 scans 94% 437 m/z 0.0059% 28.1% 2025 1.1 1312 3257525 103259060 99943364 1-1 20: 437 451 439 452 453 333 291 115 307 265 335 83 455 278 423 308 279 223 442 263 0.998 27.49 -9.9 100 100 99 100 437 267.5 4.190 -0.093 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1020 Sucrose 27.3971 2618.8 7.5 scans 10% 437 m/z (361) 0.034% 3.34% 2025 1.1 447 563335 12260491 11866801 1-1 20: 437 451 439 452 453 333 291 115 307 265 335 83 455 278 423 308 279 223 442 263 0.521 27.46 -6.8 93 96 85 98 437 264.1 35.079 -0.064 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN TAB_REP6-N1070 Sucrose 27.4066 2619.8 7.5 scans 60% 361 m/z (437) 0.0057% 16.4% 2026 0.5 1068 3361019 19.1% 60347703 58548451 70043744 1-0 20: 361 362 363 319 364 191 331 219 320 189 230 148 332 215 450 321 192 345 155 306 0.985 27.41 -0.3 83 82 75 93 451 94.9 0.000 -0.003 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1010 Sucrose 27.4150 2620.7 7.5 scans 98% TIC 0.0057% 30.4% 2027 0.2 1361 3392832 111837820 111734588 1-0 0.999 27.58 -17.5 100 99 98 99 437 267.6 3.896 -0.164 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1018 Sucrose 27.4161 2620.8 7.4 scans 68% 271 m/z (73) 0.0057% 21.0% 2027 0.2 1138 3392832 77016024 76979464 1-0 20: 271 218 231 244 203 221 317 233 220 259 333 246 142 207 222 193 151 260 150 464 0.964 27.47 -5.7 96 97 77 97 437 267.9 5.581 -0.054 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1016 Sucrose 27.4161 2620.8 7.4 scans 52% 271 m/z (361) 0.011% 16.0% 2027 0.2 993 1666492 58725961 58698084 1-0 20: 271 218 231 244 203 221 317 233 220 259 333 246 142 207 222 193 151 260 150 464 0.986 27.48 -6.5 87 89 94 92 437 16.2 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1012 Sucrose 27.4224 2621.5 7.3 scans 37% 73 m/z (361) 0.011% 10.9% 2028 0.2 837 1666492 40118219 39952199 1-0 20: 73 217 147 103 169 129 243 191 74 75 219 117 230 189 133 245 229 149 148 157 0.909 27.50 -8.4 80 86 90 90 437 16.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN LQC1-N1008 Sucrose 27.4224 2621.5 7.3 scans 100% 73 m/z 0.0057% 29.1% 2028 0.2 1380 3385160 107051461 106608453 1-0 20: 73 217 147 103 169 129 243 191 74 75 219 117 230 189 133 245 229 149 148 157 0.999 27.59 -18.0 100 99 98 99 437 261.8 3.623 -0.169 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN GUA35_L1-N1020 Galactinol 30.1402 2924.3 2.9 scans 73% 204 m/z 1.6% 0.0334% 2286 1.2 74 11695 0.0904% 122725 115358 331516 0-2 12: 204 205 217 191 306 206 305 433 129 192 218 343 0.953 30.55 -48.1 85 92 90 92 641 5.6 0.573 -0.405 G:\GCMS data\Nicotiana Panel polar\P_N38_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6049 3098.2 3.1 scans 83% TIC 1.1% 0.0654% 2425 1.3 95 16379 1.44% 239891 216850 5280785 0-2 0.992 31.68 -8.4 95 94 92 94 597 16.2 2.944 -0.070 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN EXBLK5S-N1006 Contamination 6.3459 1046.8 4.9 scans 38% 207 m/z 4.8% 0.00956% 25 1.2 35 4156 82870 63217 9-4 3: 207 295 296 0.952 6.63 -16.5 93 93 82 94 295 12.2 12.283 -0.279 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1194 Alanine 7.4191 1110.4 13.5 scans 69% TIC 1.0% 0.0552% 127 1.2 79 19672 0.107% 478462 478462 926700 0-0 0.950 7.40 0.9 95 95 93 96 283 0.0 0.000 0.015 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN A-KETO~2-N1006 Contamination?? 7.9600 1142.4 2.9 scans 69% 156 m/z 3.7% 0.00671% 178 1.1 45 5381 0.00749% 58113 47414 64869 12-1 4: 156 55 54 157 0.927 7.96 0.2 97 98 90 98 156 24.9 31.299 0.003 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1192 Contamination 8.0389 1147.1 2.8 scans 57% TIC 6.3% 0.00304% 186 1.3 38 3179 0.0148% 26340 24496 128179 2-1 0.894 7.99 2.9 90 92 82 91 235 7.7 4.153 0.050 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1188 Contamination 8.3682 1166.6 5.5 scans 87% TIC 1.9% 0.0289% 217 2.2 69 10516 0.0299% 250782 236805 258956 0-2 0.993 8.41 -2.8 98 98 83 99 369 19.9 8.298 -0.047 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1186 Phosphate 8.5829 1179.4 2.5 scans 94% TIC 0.22% 0.0777% 237 1.4 169 89832 672973 670193 0-2 0.997 8.56 1.4 100 99 99 100 299 0.0 0.000 0.022 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1184 Valine 9.1942 1215.4 5.5 scans 86% 144 m/z 0.87% 0.0443% 295 0.4 88 23108 0.0505% 384149 344544 437368 7-3 11: 144 73 218 145 147 219 100 146 74 246 220 0.984 9.19 0.4 99 98 96 98 218 25.5 8.412 0.006 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN VEN77_S6-N1002 Glycerol 10.1443 1271.0 5.1 scans 98% 299 m/z 0.0041% 7.39% 386 0.3 1205 4863481 64011349 63994389 1-0 20: 299 300 314 73 301 133 283 315 207 211 193 147 191 316 302 135 298 225 74 284 1.000 10.09 3.0 99 98 95 99 299 748.7 38.884 0.050 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN A-AMYRIN-N1012 Contamination?? 10.2580 1277.6 2.6 scans 70% 73 m/z 1.9% 0.00852% 396 0.9 55 10181 0.934% 73813 71023 8089137 2-0 8: 73 198 77 211 199 74 70 239 0.944 10.24 1.0 93 93 88 93 381 6.1 1.203 0.018 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1176 Isoleucine 10.4547 1289.2 3.1 scans 35% 158 m/z 0.49% 0.0287% 415 0.6 88 41156 0.0384% 248780 220053 332573 3-0 8: 158 218 159 232 160 220 233 203 0.945 10.46 -0.2 87 87 63 87 260 7.9 0.793 -0.004 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN TAB_REP6-N1012 Proline 10.5463 1294.5 3.0 scans 97% 142 m/z 0.011% 1.48% 424 0.4 651 1709738 1.56% 12887218 12376668 13510765 4-0 20: 142 73 143 147 216 144 72 75 74 59 217 66 100 148 133 244 218 101 68 131 0.998 10.53 0.7 99 98 98 100 216 121.9 3.522 0.013 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN TAB_REP6-N1014 Maleic acid 10.6094 1298.2 3.0 scans 84% 147 m/z 0.20% 0.0826% 430 1.0 179 98344 1.69% 715519 715519 14636662 0-0 20: 147 73 245 148 75 83 149 246 74 133 143 84 126 170 54 215 53 59 113 155 0.994 10.60 0.4 99 98 98 98 245 40.3 5.076 0.007 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1170 Glycine 10.6652 1301.5 >4 scans 59% TIC 0.91% 0.0138% 435 1.0 89 22269 1.99% 120313 120313 17234886 0-0 0.983 10.69 -1.3 92 91 88 93 276 14.3 2.555 -0.022 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7630 1307.4 3.2 scans 97% 147 m/z 0.016% 1.44% 445 0.5 641 1266952 12535647 12101751 0-2 20: 147 73 251 76 148 149 58 132 74 252 133 177 75 176 150 59 131 146 118 253 0.997 10.76 0.3 99 97 96 99 251 153.1 5.731 0.005 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1168 Glyceric acid 11.0219 1323.0 2.7 scans 94% 73 m/z 0.30% 0.0971% 469 1.0 188 66115 841440 776730 3-1 20: 73 147 292 189 133 205 103 293 190 102 148 117 307 75 74 294 59 101 149 191 0.998 11.05 -1.9 100 98 98 99 292 55.2 8.629 -0.032 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0934 1327.3 2.7 scans 70% 184 m/z 8.1% 0.00444% 476 0.9 40 2503 0.00609% 38456 38104 52744 1-0 4: 184 134 285 174 0.975 11.06 1.8 93 94 85 95 285 12.8 10.406 0.030 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1162 Fumaric acid 11.3628 1343.5 2.8 scans 93% 245 m/z 0.51% 0.0615% 501 1.1 144 39043 533082 520283 1-1 20: 245 73 147 246 240 75 143 83 247 241 133 166 148 155 149 84 53 152 115 255 0.993 11.39 -1.8 84 83 86 86 245 67.1 21.658 -0.030 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4575 1349.2 >3 scans 87% TIC 1.4% 0.0180% 510 0.9 75 14120 0.470% 155901 155901 4070551 0-0 0.996 11.45 0.7 94 91 96 98 145 19.9 7.159 0.011 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1160 Serine 11.5164 1352.8 2.5 scans 97% 204 m/z 0.072% 0.426% 516 0.8 403 278182 3691397 3503773 2-1 20: 204 73 218 147 205 100 188 219 278 206 133 75 74 306 59 116 220 189 216 148 0.999 11.56 -2.4 98 97 98 98 306 39.8 0.975 -0.041 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7395 1366.2 3.3 scans 82% TIC 1.7% 0.0206% 537 0.8 76 11831 0.0375% 179023 173524 324778 0-1 0.981 11.79 -2.7 96 95 93 95 262 8.9 1.365 -0.046 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN TAB_REP6-N1024 Threonine 11.9236 1377.3 2.6 scans 97% 73 m/z 0.087% 0.368% 555 0.8 366 232468 3189856 3177449 1-0 20: 73 218 219 291 117 292 147 101 220 75 57 100 74 293 203 128 133 132 202 320 0.992 11.92 0.2 100 98 99 100 320 32.9 0.806 0.003 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN N406_R~1-N1016 b-Alanine 12.6044 1419.1 2.9 scans 74% TIC 4.8% 0.00906% 619 1.4 54 4210 0.00991% 78545 72497 85828 1-0 0.952 12.60 0.1 95 94 90 100 304 4.1 0.586 0.002 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1150 Citrulline 13.0295 1445.9 2.9 scans 79% TIC 2.6% 0.0179% 660 0.9 81 7733 0.0255% 155444 154772 220849 1-0 0.975 13.08 -2.9 96 96 92 95 258 10.0 1.533 -0.047 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1148 Glutamine?? 13.3009 1463.0 3.1 scans 80% TIC 1.0% 0.0222% 686 0.6 82 18925 0.0550% 192753 190851 476341 0-1 0.963 13.35 -2.9 94 94 92 96 257 5.8 0.491 -0.046 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1146 Malic acid 13.5640 1479.5 3.0 scans 98% 73 m/z 0.014% 2.41% 711 0.4 860 1398360 20956692 20231036 1-1 20: 73 147 233 245 133 335 189 190 148 75 191 175 149 74 55 234 265 307 101 217 0.999 13.62 -3.3 100 99 99 99 350 22.6 0.069 -0.053 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1144 Contamination Parabanica acid 13.7692 1492.5 3.1 scans 96% 243 m/z 0.13% 0.382% 730 0.6 340 147971 3312245 3155313 2-1 20: 243 115 100 73 128 116 244 59 158 72 201 245 101 75 131 147 70 117 142 74 0.998 13.81 -2.3 100 99 99 99 243 127.2 13.975 -0.037 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1140 Aspartic acid 14.0333 1509.6 >3 scans 77% TIC 0.047% 0.707% 755 1.4 466 430133 1.20% 6127423 5839459 10392896 1-0 1.000 14.09 -3.5 99 98 98 99 349 23.6 0.257 -0.054 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0680 1511.9 3.8 scans 92% 156 m/z (142) 0.023% 1.07% 759 0.3 513 855154 9271036 9038812 1-1 14: 156 147 258 230 157 158 259 231 72 58 140 121 112 260 0.998 14.11 -2.8 97 98 98 99 273 21.3 0.173 -0.042 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1134 GABA 14.1911 1520.0 2.6 scans 66% 174 m/z (73) 0.070% 0.279% 770 1.0 317 288131 2420571 2412563 1-0 19: 174 304 147 175 305 75 176 86 59 306 246 216 143 133 148 130 131 156 149 0.989 14.24 -3.4 92 93 77 93 304 110.8 12.216 -0.051 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN TAB_REP6-N1032 GABA 14.1963 1520.4 3.4 scans 89% 73 m/z (314) 0.070% 0.519% 771 1.1 379 288131 2.29% 4497794 4425846 19833110 5-0 19: 73 172 74 114 158 85 101 132 98 58 128 69 186 55 170 188 160 332 82 0.993 14.19 0.6 98 99 99 99 304 110.8 8.531 0.008 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3563 1531.0 2.9 scans 88% TIC 0.31% 0.102% 786 0.8 177 64931 0.119% 886711 874007 1030629 0-3 0.990 14.62 -17.6 98 97 97 98 409 13.6 0.585 -0.265 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6404 1549.8 3.1 scans 98% 73 m/z 0.011% 3.69% 813 0.6 1063 1753551 32022737 32001314 1-0 20: 73 292 147 220 205 217 293 117 103 294 221 148 133 319 74 291 102 149 206 75 1.000 14.69 -3.4 100 100 100 100 409 84.4 0.633 -0.052 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1126 Pyrazine 15.0728 1578.5 2.7 scans 85% 73 m/z 0.45% 0.0783% 854 1.0 168 44969 0.116% 678955 622262 1004647 1-7 20: 73 227 344 301 147 345 154 228 302 139 211 126 303 346 329 59 229 128 133 153 0.978 15.13 -3.9 99 98 96 99 344 48.2 8.200 -0.059 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1120 Glutamic acid 15.5032 1607.4 2.5 scans 81% 246 m/z 0.72% 0.0338% 895 1.0 114 27876 292837 282613 1-1 15: 246 128 247 348 248 230 156 84 363 56 218 149 133 349 129 0.981 15.56 -3.9 98 98 95 98 363 11.1 0.949 -0.057 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1118 Phenylalanine 15.6010 1614.2 2.7 scans 75% 218 m/z (328) 0.82% 0.0445% 904 1.3 123 24632 385425 382676 0-1 10: 218 192 91 219 193 220 266 65 294 92 0.973 15.66 -4.0 92 91 91 99 294 8.0 0.426 -0.058 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN TAB_REP6-N1042 Ribose 16.0945 1648.4 2.8 scans 58% 73 m/z 2.8% 0.00842% 951 0.6 58 7247 0.129% 72945 71871 1117236 0-1 7: 73 103 307 217 308 147 277 0.932 16.10 -0.6 93 94 87 94 307 16.0 7.624 -0.008 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1112 Asparagine?? 16.2060 1656.2 2.8 scans 86% TIC 0.34% 0.102% 962 1.4 185 58986 0.267% 888904 868681 2312419 0-1 0.982 16.26 -3.8 95 93 97 97 348 15.3 0.689 -0.056 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2187 1657.1 2.6 scans 25% 290 m/z (328) 0.70% 0.0193% 963 1.9 75 28675 167501 154212 1-6 6: 290 291 292 392 158 393 0.698 16.28 -4.0 95 97 65 98 392 14.8 3.863 -0.057 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1108 Ribose 16.3113 1663.5 2.8 scans 88% TIC 0.32% 0.108% 972 0.5 181 62828 0.228% 943007 925230 1974650 0-2 0.967 16.38 -4.4 95 95 93 98 467 5.4 0.089 -0.064 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6069 1684.0 2.5 scans 26% 307 m/z (73) 6.6% 0.00443% 1000 1.3 40 3058 0.00689% 38374 38262 59673 1-0 5: 307 319 217 320 308 0.779 16.68 -4.8 81 85 39 86 497 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9910 1711.2 2.9 scans 45% 217 m/z 3.9% 0.0107% 1036 1.1 60 5101 0.181% 93443 86360 1567595 0-2 11: 217 319 307 205 103 305 320 204 189 218 306 0.849 17.06 -5.3 87 88 77 87 510 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN TAB_REP6-N1044 Putrescine 17.1920 1725.9 2.7 scans 75% 174 m/z 0.039% 0.388% 1055 0.9 362 507809 3366041 3264880 1-1 20: 174 175 214 176 86 172 200 59 100 361 130 173 146 215 142 376 362 114 187 99 0.886 17.19 0.3 98 97 87 98 376 30.4 0.703 0.004 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3740 1739.2 2.7 scans 83% 73 m/z 0.80% 0.0381% 1073 1.1 117 25074 330134 305366 1-0 20: 73 333 292 147 103 217 307 293 277 308 511 221 74 219 393 319 148 133 104 218 0.992 17.44 -5.1 98 97 97 98 511 8.9 0.575 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN WTF2-N1010 Glycerol-P 17.4771 1746.7 2.6 scans 58% 299 m/z (171) 1.2% 0.0374% 1083 1.1 114 16300 324267 315449 1-1 18: 299 357 358 315 445 300 370 211 387 359 301 446 328 373 256 285 316 389 0.969 16.97 37.2 90 96 83 96 445 21.0 3.419 0.509 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5644 1753.1 2.8 scans 90% TIC 0.17% 0.138% 1091 0.9 222 114651 0.633% 1203065 1133299 5482253 0-1 0.996 17.63 -4.9 92 90 93 94 450 36.9 2.766 -0.068 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1088 Glutamine?? 17.6465 1759.1 3.3 scans 85% TIC 0.28% 0.146% 1099 1.6 205 70028 0.628% 1267808 1261943 5438949 0-1 0.943 17.73 -5.8 90 88 91 95 511 7.7 0.141 -0.079 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1086 Fructofuranose 18.0600 1789.3 2.7 scans 89% 73 m/z 0.12% 0.243% 1138 1.6 286 158310 0.717% 2109909 2026531 6209755 1-0 20: 73 217 437 147 218 438 439 219 257 74 103 129 191 133 230 75 148 215 347 205 0.975 18.13 -5.3 95 93 94 96 437 81.4 8.114 -0.074 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN TAB_REP6-N1046 Shikimic acid 18.1242 1794.0 2.5 scans 55% 204 m/z (333) 0.80% 0.0227% 1144 1.0 96 25195 0.0632% 197175 197175 547359 0-0 13: 204 205 255 357 206 254 372 462 282 256 358 167 267 0.952 18.13 -0.0 83 84 81 90 372 12.0 1.571 -0.001 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1084 Shikimic acid 18.1242 1794.0 2.5 scans 36% 204 m/z 0.79% 0.0139% 1144 1.0 78 25428 0.0388% 121005 121005 336037 0-0 13: 204 205 255 357 206 254 372 462 282 256 358 167 267 0.967 18.20 -5.2 91 90 91 94 462 9.3 1.435 -0.073 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1082 Citric acid 18.2515 1803.4 2.6 scans 92% 273 m/z (174) 0.058% 0.673% 1156 0.9 488 346957 5833754 5494004 1-1 20: 273 73 147 375 347 363 274 465 75 211 149 275 305 348 148 364 74 376 221 133 0.998 18.32 -5.3 97 97 97 99 465 73.5 2.266 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1080 Citrulline or Ornithine 18.3315 1809.5 2.7 scans 66% 157 m/z 1.4% 0.0229% 1164 0.9 89 14424 0.0860% 198610 198610 744824 0-0 10: 157 256 142 257 141 158 70 373 99 172 0.911 18.40 -5.3 89 89 87 91 416 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1076 Pregnane?? 18.7892 1844.4 2.8 scans 97% 345 m/z 0.013% 2.35% 1207 0.6 891 1500624 20367275 19790245 1-1 20: 345 73 346 255 147 347 334 204 256 191 435 419 372 133 257 74 148 239 348 75 1.000 18.86 -5.3 100 100 99 100 537 69.5 0.612 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1074 Adenine 18.8702 1850.6 2.8 scans 58% 264 m/z 0.42% 0.0392% 1215 1.1 114 47874 0.0541% 339938 309488 468546 1-0 19: 264 265 279 266 192 280 84 165 85 99 237 124 206 281 111 267 164 176 180 0.984 18.94 -5.3 95 93 88 97 415 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN TAB_REP6-N1050 Fructose 18.9512 1856.8 2.6 scans 96% 73 m/z 0.043% 0.789% 1223 0.7 529 468234 0.821% 6838678 6838678 7110473 0-0 20: 73 217 307 103 147 308 277 133 218 74 309 364 117 205 189 89 104 219 148 75 0.999 18.98 -2.2 100 99 99 99 364 56.1 1.126 -0.029 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN TAB_REP6-N1052 Fructose 19.0701 1865.8 2.6 scans 92% 73 m/z (331) 0.056% 0.626% 1234 1.1 467 361123 1.90% 5422619 5136517 16455418 4-1 20: 73 307 217 103 147 308 218 277 364 309 74 205 262 89 117 133 219 104 75 148 0.999 19.10 -2.6 94 93 98 99 364 51.3 1.208 -0.034 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN TAB_REP6-N1054 Galactose 19.1890 1874.9 3.0 scans 52% 319 m/z (204) 1.1% 0.0258% 1245 0.9 92 17132 0.524% 223509 223509 4538231 0-0 6: 319 160 320 321 229 161 0.935 19.22 -2.1 87 90 83 92 376 3.2 0.119 -0.027 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1066 Glucose 19.1890 1874.9 3.0 scans 32% 319 m/z (73) 1.9% 0.0157% 1245 0.9 72 10433 0.320% 136482 136482 2771439 0-0 6: 319 160 320 321 229 161 0.873 19.40 -16.0 84 87 57 89 319 34.7 23.292 -0.210 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1068 Galactopyranose 19.2185 1877.2 2.6 scans 72% 204 m/z (319) 0.37% 0.0629% 1248 1.4 150 53543 0.111% 545160 518767 961343 1-0 9: 204 191 192 193 435 203 317 174 361 0.986 19.32 -7.3 93 94 92 97 435 11.7 0.602 -0.097 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN TAB_REP6-N1056 Glucose 19.2700 1881.1 2.5 scans 93% 73 m/z 0.067% 0.548% 1253 1.0 451 299991 1.16% 4750360 4101918 10046466 0-10 20: 73 319 147 205 320 160 217 318 321 103 74 133 206 117 432 305 129 148 204 291 0.999 19.33 -4.7 86 81 92 94 364 24.7 0.300 -0.062 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1064 Mannose 19.2700 1881.1 2.5 scans 95% TIC 0.065% 0.519% 1253 1.0 455 307955 1.45% 4495963 4455419 12558083 0-1 0.999 19.45 -14.1 86 82 92 91 319 153.4 11.371 -0.185 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1062 Glucose 19.5120 1899.5 2.5 scans 5.1% 319 m/z (174) 0.43% 0.0723% 1276 0.7 161 46883 626254 600590 1-1 10: 319 160 320 321 229 157 277 342 167 300 0.501 19.66 -11.6 83 90 61 92 319 73.5 20.826 -0.144 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5194 1900.1 2.8 scans 96% 174 m/z 0.012% 1.65% 1277 0.5 729 1661783 14316935 13346676 1-1 20: 174 73 175 338 86 176 339 100 59 179 74 340 250 130 264 177 149 162 131 75 0.990 19.49 2.3 95 92 94 99 338 154.9 4.559 0.029 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1060 Lysine 19.5973 1906.4 2.6 scans 90% TIC 0.24% 0.159% 1284 0.9 246 82830 1.80% 1378272 1286960 15589344 0-2 0.993 19.69 -7.7 85 79 62 96 479 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN N406_R~2-N1016 Galacturonic acid 19.7425 1918.0 2.7 scans 23% 333 m/z 4.4% 0.00388% 1298 1.5 35 4560 0.0184% 33680 31505 159358 0-2 3: 333 160 334 0.982 19.79 -4.1 85 84 79 92 423 5.5 2.362 -0.051 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN BRA4_R~2-N1010 Tyrosine 19.7940 1922.2 3.0 scans 80% TIC 0.29% 0.0934% 1303 1.3 172 69638 0.137% 809640 730725 1186522 0-2 0.970 19.82 -1.9 81 75 71 93 382 15.2 0.778 -0.024 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2759 1960.9 3.0 scans 72% 73 m/z (204) 0.16% 0.198% 1349 1.1 246 120525 1721994 1644272 1-1 20: 73 217 147 218 74 133 189 148 305 75 117 219 435 291 149 131 72 207 143 319 0.975 20.30 -1.6 94 96 92 96 433 25.7 1.093 -0.020 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2759 1960.9 3.0 scans 79% 73 m/z (394) 0.15% 0.219% 1349 1.1 259 135310 1900559 1814778 1-1 20: 73 217 147 218 74 133 189 148 305 75 117 219 435 291 149 131 72 207 143 319 0.964 20.41 -11.1 92 94 90 94 217 63.0 5.939 -0.138 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1054 Gluconic acid 3 20.4474 1974.7 3.0 scans 81% 73 m/z 0.71% 0.0423% 1365 1.1 132 28329 0.149% 366572 366572 1290451 0-0 20: 73 333 147 319 205 334 217 293 204 305 335 320 346 214 435 423 74 433 189 148 0.985 20.55 -8.2 95 93 93 96 613 0.0 0.000 -0.102 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1052 Gluconic acid 2 20.5011 1979.0 3.1 scans 80% 73 m/z 0.41% 0.0730% 1370 1.1 172 48516 0.258% 632523 632523 2234473 0-0 20: 73 147 292 319 205 217 333 305 293 447 103 359 433 320 294 74 277 448 321 148 0.970 20.60 -7.7 88 86 89 90 613 4.7 0.076 -0.096 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1048 Galactaric acid 21.0798 2026.7 >4 scans 63% 333 m/z 3.9% 0.0103% 1425 1.4 56 5115 0.0214% 89235 89235 185340 0-0 5: 333 292 73 334 293 0.944 21.15 -6.0 81 79 70 88 627 3.2 0.338 -0.071 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN WTF2-N1038 C16:0 21.1240 2030.4 2.7 scans 84% 313 m/z 0.68% 0.0590% 1429 1.1 146 29439 511020 494544 1-1 18: 313 117 75 129 132 314 145 55 57 269 328 315 118 201 56 131 69 285 0.994 20.62 42.1 92 97 96 98 328 15.3 1.099 0.507 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1044 myo-Inositol 21.7122 2079.8 11.7 scans 71% 318 m/z (217) 0.0094% 15.0% 1485 1.0 1189 2155693 16.5% 130206322 126776035 142902318 1-0 13: 318 306 307 320 293 308 321 268 322 392 153 280 310 0.987 21.77 -4.6 88 85 54 98 612 36.8 0.096 -0.055 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.7616 2084.0 11.5 scans 100% 73 m/z 0.0094% 19.9% 1490 0.2 1417 2145260 172779196 172766524 1-0 20: 73 74 129 133 103 75 149 131 143 59 134 145 135 119 150 104 81 55 53 117 0.998 21.75 1.1 100 99 98 99 507 94.1 0.442 0.013 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1042 myo-Inositol 21.7701 2084.7 11.7 scans 66% 305 m/z (73) 0.010% 2.60% 1491 2.1 1131 1925927 14.8% 22583293 22583293 128179049 0-0 20: 305 217 318 191 147 306 265 319 204 218 307 320 367 291 433 221 219 266 393 192 0.974 21.77 -0.4 92 94 80 94 318 320.1 8.022 -0.004 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8679 2092.9 6.5 scans 41% 319 m/z 2.1% 0.0155% 1500 1.2 69 9526 2.41% 134514 134514 20872399 0-0 7: 319 320 205 103 262 321 206 0.652 21.93 -5.2 89 91 60 90 656 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1846 2120.3 2.9 scans 83% TIC 0.57% 0.0579% 1530 1.0 149 35475 0.121% 501898 493270 1047950 1-1 0.967 22.19 -0.2 97 97 92 98 396 63.9 18.534 -0.001 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6465 2160.7 3.2 scans 86% 204 m/z 0.35% 0.0879% 1574 1.7 158 57934 0.133% 762032 673311 1151879 2-2 20: 204 73 205 217 147 249 206 117 361 191 74 129 75 103 218 133 250 189 219 149 0.987 22.71 -5.8 95 92 95 99 518 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN WTF2-N1036 C18:0 23.3841 2226.2 2.7 scans 86% 341 m/z 0.81% 0.0518% 1644 1.2 137 25010 0.0745% 448827 418198 645226 1-2 20: 341 117 73 75 132 129 342 145 55 57 356 343 201 69 118 131 297 83 97 74 0.992 22.89 44.4 92 98 96 98 356 17.1 1.552 0.495 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1017 2291.8 >3 scans 52% TIC 3.2% 0.00289% 1712 1.9 46 6255 0.0246% 25064 25064 213054 0-0 0.915 24.01 8.3 87 89 77 88 490 0.0 0.000 0.092 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6352 2342.2 5.8 scans 65% 73 m/z 1.6% 0.0214% 1763 1.1 91 12451 0.150% 186121 186121 1299112 0-0 17: 73 331 262 217 421 307 147 332 191 333 205 319 422 305 376 259 308 0.960 24.65 -1.4 92 92 84 91 466 6.0 0.436 -0.015 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7288 2351.1 2.7 scans 91% 73 m/z 0.23% 0.189% 1772 0.9 252 84742 1642315 1461050 1-3 20: 73 217 204 147 292 375 103 305 219 451 218 205 376 129 293 133 363 233 74 131 0.994 24.81 -7.3 98 97 97 98 451 29.6 1.378 -0.076 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN WTF2-N1066 Ntb_Glucopyranoside 25.9min 26.1146 2486.3 5.5 scans 61% TIC 1.2% 0.0261% 1903 1.4 81 16516 0.463% 226557 219388 4009926 0-1 0.923 25.86 25.6 81 80 79 96 361 3.4 0.000 0.259 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3808 2513.2 3.5 scans 97% 204 m/z 0.0061% 5.49% 1929 0.5 1228 3279902 5.55% 47566267 45657084 48067143 1-0 20: 204 73 205 217 147 495 206 117 496 363 273 129 191 130 319 231 103 218 74 143 0.999 26.35 3.2 99 98 98 99 495 238.6 3.820 0.031 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5207 2527.7 3.0 scans 78% TIC 0.50% 0.0881% 1942 0.7 180 40055 4.79% 763543 763543 41484976 0-0 0.976 26.57 -5.4 98 97 91 98 512 65.1 13.085 -0.052 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1018 Sucrose 27.4046 2619.6 13.2 scans 66% 361 m/z (169) 0.0059% 10.3% 2026 1.2 1078 3412363 14.2% 89730513 88149496 122982601 1-0 20: 361 362 453 365 332 273 450 305 435 333 322 151 481 465 367 163 455 152 154 417 0.936 27.47 -6.9 86 90 69 88 437 259.0 5.814 -0.065 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1014 Sucrose 27.4046 2619.6 13.2 scans 86% 361 m/z 0.0060% 13.3% 2026 1.2 1232 3377746 18.2% 115524330 113488836 157625587 1-0 20: 361 362 453 365 332 273 450 305 435 333 322 151 481 465 367 163 455 152 154 417 0.998 27.49 -9.1 100 99 98 99 437 259.0 4.459 -0.085 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1016 Sucrose 27.4214 2621.4 13.3 scans 47% 217 m/z (361) 0.017% 9.80% 2028 1.1 914 1153723 10.7% 84927001 83467998 92669988 1-0 11: 217 271 147 189 245 229 291 247 173 175 142 0.961 27.48 -5.9 81 80 89 94 437 15.7 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1010 Sucrose 27.4372 2623.1 13.4 scans 100% 147 m/z 0.0063% 22.3% 2029 0.9 1315 3205322 193866300 192755879 1-0 4: 147 129 143 134 0.997 27.58 -15.1 100 99 99 99 437 245.0 3.489 -0.142 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1008 Sucrose 27.4845 2628.1 12.8 scans 100% 73 m/z 0.0069% 5.63% 2034 1.1 1280 2921503 18.1% 48823862 48823862 156759513 0-0 20: 73 103 129 74 75 155 143 55 69 59 141 81 109 116 156 115 54 145 89 83 1.000 27.59 -11.4 100 99 97 99 437 220.9 2.995 -0.106 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN LQC1-N1006 Trehalose 28.3800 2725.0 3.0 scans 34% 361 m/z 3.0% 0.00744% 2119 0.7 51 6709 0.0174% 64481 60411 150697 0-1 4: 361 362 363 191 0.858 28.47 -9.9 86 87 70 91 565 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN GUA35_L1-N1020 Galactinol 30.1424 2924.5 3.0 scans 85% 204 m/z 0.21% 0.145% 2286 1.0 210 93630 0.294% 1264099 1055396 2546259 0-7 20: 204 73 217 191 147 205 361 305 206 433 129 218 343 306 103 319 192 641 230 434 0.985 30.55 -47.9 89 94 95 99 641 16.8 0.641 -0.403 G:\GCMS data\Nicotiana Panel polar\P_N406_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.5944 3097.0 2.8 scans 46% 204 m/z 2.5% 0.00953% 2424 1.0 56 7928 0.138% 82610 70123 1195183 1-2 7: 204 205 597 217 598 129 337 0.894 31.68 -9.6 89 90 77 89 597 11.2 3.933 -0.081 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN EXBLK5S-N1006 Contamination 6.6173 1062.9 3.9 scans 59% 207 m/z (181) 1.4% 0.0270% 51 1.2 78 17021 0.0604% 254548 228317 568984 10-2 9: 207 295 208 191 209 296 297 279 193 0.957 6.63 -0.4 96 98 92 98 295 23.4 8.894 -0.008 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1194 Alanine 7.4328 1111.2 14.2 scans 64% TIC 1.3% 0.0482% 128 1.4 85 18488 0.101% 454137 454137 951446 0-0 0.927 7.40 1.7 93 93 91 95 283 0.0 0.000 0.029 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN A-KETO~2-N1006 Contamination?? 7.9810 1143.7 2.9 scans 64% 156 m/z 4.5% 0.00565% 180 1.3 46 5302 53275 48463 1-1 3: 156 55 157 0.946 7.96 1.5 97 97 90 97 156 25.7 30.791 0.024 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1192 Contamination 8.0620 1148.5 2.9 scans 59% TIC 5.4% 0.00451% 188 1.0 50 4474 0.0167% 42508 42508 157318 0-0 0.883 7.99 4.3 90 92 83 93 235 10.4 4.299 0.073 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1188 Contamination 8.3766 1167.1 5.9 scans 88% TIC 1.4% 0.0474% 218 2.1 91 16236 447159 395165 4-3 0.991 8.41 -2.3 99 98 83 99 369 26.0 8.115 -0.038 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1186 Phosphate 8.5986 1180.3 2.5 scans 91% 241 m/z 0.36% 0.0505% 239 1.0 150 67212 476274 452130 1-1 20: 241 242 133 211 243 163 256 73 195 135 59 89 98 137 119 181 212 121 107 164 0.994 8.56 2.3 100 99 98 100 299 0.0 0.000 0.038 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1184 Valine 9.2089 1216.3 5.3 scans 70% 144 m/z (156) 3.4% 0.0116% 297 0.3 48 6985 109960 98684 5-1 3: 144 218 145 0.967 9.19 1.3 94 96 89 96 218 14.4 8.992 0.021 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1180 Benzoic acid 9.7708 1249.1 3.1 scans 53% 179 m/z 11% 0.00352% 350 0.7 32 2208 0.00363% 33177 28683 34196 5-3 4: 179 105 135 77 0.775 9.76 0.6 89 89 82 95 194 4.2 1.694 0.012 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1178 Ethanolamine 10.0012 1262.6 5.2 scans 82% 174 m/z 1.5% 0.0350% 372 1.2 88 16153 0.901% 330228 315305 8487653 3-0 11: 174 73 175 201 86 139 100 126 69 117 127 0.965 10.03 -1.9 89 87 84 95 262 8.3 0.898 -0.033 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN VEN77_S6-N1002 Glycerol 10.1538 1271.5 6.0 scans 100% 211 m/z 0.0055% 7.11% 387 0.2 1201 4393022 67031126 65496040 1-1 20: 211 181 137 167 183 104 182 91 66 150 113 164 214 169 88 252 184 162 110 98 1.000 10.09 3.5 99 98 95 99 299 741.0 38.354 0.060 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN A-AMYRIN-N1012 Contamination?? 10.2622 1277.9 2.5 scans 76% 73 m/z 1.8% 0.0108% 397 0.9 67 12792 0.931% 102175 91633 8770261 2-2 8: 73 198 77 211 70 74 239 381 0.964 10.24 1.3 94 94 90 94 381 7.2 1.172 0.022 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1176 Isoleucine 10.4537 1289.1 3.2 scans 19% 158 m/z 4.1% 0.00320% 415 0.7 34 5840 0.00901% 30217 30217 84877 0-0 4: 158 218 159 232 0.967 10.46 -0.3 83 84 58 84 260 0.0 0.000 -0.005 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN TAB_REP6-N1012 Proline 10.5452 1294.5 3.0 scans 96% 142 m/z 0.036% 0.573% 424 0.5 432 671112 1.69% 5398156 5094299 15920238 4-0 20: 142 73 143 216 147 144 59 75 72 74 66 217 133 148 100 170 218 70 244 58 0.995 10.53 0.7 100 98 98 100 216 80.9 3.524 0.012 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN TAB_REP6-N1014 Maleic acid 10.6125 1298.4 3.4 scans 86% TIC 0.28% 0.0715% 430 1.2 175 83847 1.99% 674196 674196 18746316 0-0 0.974 10.60 0.6 99 97 99 100 245 37.6 4.617 0.011 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1170 Glycine 10.6704 1301.8 4.5 scans 66% TIC 0.75% 0.0280% 436 0.9 119 32334 1.54% 264123 264123 14507199 0-0 0.947 10.69 -1.0 91 92 86 94 276 17.4 2.155 -0.017 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7683 1307.7 3.1 scans 97% TIC 0.017% 1.44% 445 0.7 709 1426357 13628122 12993193 1-1 0.994 10.76 0.6 99 97 96 99 251 169.0 5.701 0.010 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1168 Glyceric acid 11.0324 1323.6 2.5 scans 97% 73 m/z 0.075% 0.437% 470 0.9 443 320711 4121746 3981628 2-1 20: 73 147 292 189 133 103 205 293 102 148 117 190 75 307 74 294 59 101 149 191 0.999 11.05 -1.3 100 99 99 100 292 130.4 8.672 -0.022 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0976 1327.5 3.1 scans 73% 184 m/z 4.4% 0.0100% 476 1.1 63 5421 0.132% 94314 93472 1243474 0-1 12: 184 134 285 174 73 86 77 227 185 59 100 286 0.962 11.06 2.0 97 98 92 98 285 19.0 9.035 0.035 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN TAB_REP6-N1018 Uracil 11.1492 1330.7 2.3 scans 47% 241 m/z 10% 0.00198% 481 1.1 31 2311 0.00216% 18686 18686 20348 0-0 3: 241 256 99 0.945 11.15 0.1 94 94 91 97 256 12.4 15.997 0.001 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1162 Fumaric acid 11.3680 1343.8 2.7 scans 91% TIC 0.47% 0.0656% 502 0.9 165 50981 0.698% 618044 551499 6575341 2-2 0.996 11.39 -1.5 87 85 88 87 245 79.8 23.466 -0.025 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4659 1349.7 >3 scans 80% TIC 1.5% 0.0161% 511 0.6 80 15214 0.607% 152367 152367 5718097 0-0 0.988 11.45 1.2 95 92 97 99 145 21.3 7.006 0.020 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1160 Serine 11.5248 1353.3 2.4 scans 98% 204 m/z 0.051% 0.639% 517 0.7 534 471267 6026711 6020112 1-0 20: 204 73 218 147 205 100 188 219 278 206 133 75 74 306 220 116 59 189 216 132 0.998 11.56 -1.9 99 98 98 99 306 54.2 1.034 -0.032 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN BRA4_R~2-N1008 Thymine 11.5995 1357.8 3.5 scans 26% 255 m/z 17% 0.000744% 524 0.7 16 1372 7005 7005 0-0 1: 255 0.815 11.58 1.0 87 94 73 93 270 5.9 13.504 0.015 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN TAB_REP6-N1024 Threonine 11.9236 1377.3 2.6 scans 96% 73 m/z 0.15% 0.216% 555 0.8 305 154570 2042593 1999414 1-1 20: 73 218 219 117 291 147 292 101 220 75 74 57 100 133 293 203 128 132 59 202 0.995 11.92 0.2 99 98 99 100 320 27.3 0.798 0.003 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN N406_R~1-N1016 b-Alanine 12.6096 1419.4 3.0 scans 46% TIC 13% 0.00219% 620 2.2 29 1869 20650 19993 0-4 0.821 12.60 0.4 84 85 76 92 304 0.0 0.000 0.008 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1150 Citrulline 13.0284 1445.8 3.6 scans 61% TIC 4.3% 0.00998% 660 0.7 61 5610 0.0161% 94103 94103 151666 0-0 0.845 13.08 -3.0 87 87 77 91 258 6.9 1.303 -0.048 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1148 Glutamine?? 13.3062 1463.3 3.0 scans 91% 155 m/z 0.39% 0.0665% 686 0.7 157 62057 0.0701% 626755 599138 660360 2-1 20: 155 73 147 156 139 229 75 59 100 74 157 148 84 56 230 131 133 72 149 257 0.993 13.35 -2.6 96 95 96 98 257 12.1 0.597 -0.041 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1146 Malic acid 13.5692 1479.9 3.3 scans 98% 73 m/z 0.015% 2.74% 711 0.4 949 1563547 25897040 25861192 1-0 20: 73 147 233 245 133 189 75 190 148 175 191 74 149 55 234 101 265 217 307 131 1.000 13.62 -2.9 100 99 99 100 350 24.4 0.066 -0.048 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1144 Contamination Parabanica acid 13.7849 1493.4 3.4 scans 96% 243 m/z 0.096% 0.639% 732 0.4 461 252574 6026259 5732890 1-4 20: 243 115 100 73 128 116 244 59 201 158 72 245 131 75 101 70 147 142 129 74 1.000 13.81 -1.4 100 99 99 100 243 175.3 14.438 -0.021 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1140 Aspartic acid 14.0332 1509.6 5.6 scans 81% TIC 0.053% 0.681% 755 1.4 503 453220 1.11% 6416604 6172824 10456488 1-0 0.999 14.09 -3.5 100 99 98 100 349 25.4 0.255 -0.054 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0680 1511.9 3.7 scans 95% 156 m/z (232) 0.033% 0.883% 759 0.4 508 726158 8323545 7936060 1-1 16: 156 258 230 157 158 259 231 140 58 121 86 112 155 55 85 154 1.000 14.11 -2.8 96 97 96 99 273 21.0 0.172 -0.042 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN TAB_REP6-N1032 GABA 14.1932 1520.2 2.7 scans 92% TIC 0.090% 0.362% 770 1.0 376 267819 1.63% 3411507 3300757 15355022 0-1 0.988 14.19 0.4 100 99 98 100 304 113.3 9.075 0.005 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3573 1531.1 2.9 scans 65% 73 m/z 1.2% 0.0247% 786 0.8 96 18862 0.0275% 233598 209978 259057 2-6 16: 73 292 147 220 293 205 217 294 221 117 103 291 74 148 133 102 0.967 14.62 -17.5 93 92 90 95 409 6.8 0.507 -0.264 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6403 1549.8 3.0 scans 98% 73 m/z 0.013% 3.41% 813 0.5 1127 1845277 32166840 32163352 1-0 20: 73 292 147 220 205 293 217 117 103 221 148 294 133 319 74 291 149 102 75 206 1.000 14.69 -3.4 100 100 99 100 409 89.4 0.631 -0.052 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1126 Pyrazine 15.0770 1578.8 2.7 scans 95% 73 m/z 0.16% 0.271% 854 0.9 334 148333 2560514 2560514 0-0 20: 73 227 344 301 147 345 154 228 302 139 211 126 346 74 59 303 329 229 133 212 0.998 15.13 -3.6 99 98 97 100 344 99.8 8.913 -0.055 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3748 1598.5 2.6 scans 47% 217 m/z (146) 3.2% 0.00493% 883 0.9 46 7466 0.00751% 46483 46483 70746 0-0 2: 217 218 0.908 15.44 -4.5 88 91 80 91 393 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1120 Glutamic acid 15.5010 1607.2 2.6 scans 64% 246 m/z 1.4% 0.0179% 895 1.1 88 16232 169125 161793 1-1 10: 246 247 128 348 248 230 84 149 363 56 0.910 15.56 -4.1 96 97 86 96 363 8.4 0.919 -0.059 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1118 Phenylalanine 15.6000 1614.1 2.7 scans 67% 218 m/z (328) 0.91% 0.0456% 904 1.3 135 26670 430308 409318 1-1 9: 218 192 91 219 266 220 65 294 177 0.974 15.66 -4.1 90 89 91 98 294 9.0 0.447 -0.059 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN TAB_REP6-N1038 Xylose 15.8841 1633.8 3.3 scans 66% 73 m/z 2.5% 0.0119% 931 1.9 64 9645 112101 111069 1-0 7: 73 103 217 307 147 308 160 0.917 15.89 -0.4 90 88 87 94 307 14.9 5.443 -0.006 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN TAB_REP6-N1040 Xylose 15.9977 1641.7 2.6 scans 75% 103 m/z 0.45% 0.0629% 942 1.1 167 53877 592668 546623 2-1 19: 103 307 217 308 160 277 309 189 218 133 117 104 105 89 219 234 129 205 233 0.839 16.00 -0.4 93 91 91 97 307 39.5 5.593 -0.006 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN TAB_REP6-N1042 Ribose 16.0966 1648.6 3.0 scans 63% 73 m/z 2.5% 0.0106% 951 0.7 69 9478 0.178% 99859 97569 1676806 0-1 10: 73 307 103 217 308 147 277 160 189 218 0.943 16.10 -0.4 93 93 88 94 307 20.9 9.119 -0.006 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1112 Asparagine?? 16.2081 1656.3 2.5 scans 89% 73 m/z 0.18% 0.190% 962 1.0 291 129725 0.237% 1791922 1601740 2232601 5-2 20: 73 116 231 132 188 75 147 232 100 74 141 131 218 202 133 117 159 115 258 59 0.959 16.26 -3.7 95 93 96 97 348 23.5 0.650 -0.054 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2186 1657.1 2.4 scans 10% 290 m/z (73) 0.70% 0.0168% 963 1.8 82 34642 158779 156073 0-3 6: 290 291 292 392 393 293 0.751 16.28 -4.0 92 95 58 96 392 15.5 3.571 -0.057 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1108 Ribose 16.3102 1663.4 2.7 scans 88% TIC 0.45% 0.0787% 972 0.6 171 52999 0.289% 741577 741577 2722455 0-0 0.985 16.38 -4.5 95 94 95 97 467 4.3 0.063 -0.065 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6059 1683.9 2.9 scans 83% TIC 0.88% 0.0435% 1000 1.9 133 27310 0.0872% 410316 410316 821447 0-0 0.986 16.68 -4.9 98 97 97 99 497 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9889 1711.1 2.9 scans 87% TIC 0.61% 0.0598% 1036 1.5 157 39835 0.508% 563786 563786 4785492 0-0 0.992 17.06 -5.4 94 93 94 93 510 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN TAB_REP6-N1044 Putrescine 17.1835 1725.3 2.7 scans 70% 174 m/z (73) 0.17% 0.114% 1055 1.0 209 136127 1074169 1019948 1-2 20: 174 175 214 86 172 176 200 59 100 130 361 142 173 146 215 99 187 376 114 362 0.992 17.19 -0.3 95 96 96 99 376 15.0 0.518 -0.004 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1096 Putrescine 17.1835 1725.3 2.7 scans 60% 174 m/z 0.17% 0.0959% 1055 1.0 193 136286 903927 858299 1-2 20: 174 175 214 86 172 176 200 59 100 130 361 142 173 146 215 99 187 376 114 362 0.990 17.25 -4.7 96 95 94 98 458 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3708 1739.0 2.8 scans 81% 73 m/z 1.1% 0.0291% 1072 1.1 111 21092 0.0309% 274948 266726 291086 1-1 20: 73 292 333 103 147 217 307 334 293 319 308 335 294 393 277 148 221 74 219 218 0.989 17.44 -5.3 98 98 96 98 511 7.8 0.495 -0.072 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN WTF2-N1010 Glycerol-P 17.4739 1746.5 >7 scans 41% TIC 2.0% 0.00442% 1082 1.7 93 11855 0.157% 41664 41664 1478981 0-0 0.937 16.97 37.0 88 93 68 93 445 19.3 4.288 0.506 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5612 1752.9 2.8 scans 93% TIC 0.15% 0.185% 1091 0.9 272 159839 0.673% 1742898 1717020 6339834 0-1 0.998 17.63 -5.1 97 96 96 98 450 37.0 1.848 -0.071 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1088 Glutamine?? 17.6486 1759.2 2.5 scans 89% 156 m/z 0.17% 0.233% 1099 1.0 315 135431 0.426% 2202073 2116398 4013030 1-3 20: 156 73 155 245 75 147 157 347 74 128 203 246 131 114 145 133 100 301 218 149 0.978 17.73 -5.7 91 89 93 95 511 5.5 0.031 -0.077 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1086 Fructofuranose 18.0642 1789.6 2.7 scans 94% 217 m/z 0.052% 0.742% 1138 1.1 532 460928 1.29% 6998634 6525269 12152134 1-1 20: 217 73 437 147 218 438 219 439 257 74 103 129 133 191 230 75 215 148 189 205 0.992 18.13 -5.0 94 91 93 96 437 151.9 8.181 -0.070 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1084 Shikimic acid 18.1242 1794.0 2.7 scans 33% 204 m/z 0.54% 0.0230% 1144 0.9 105 44222 0.0561% 217052 217052 528477 0-0 18: 204 357 255 206 254 372 462 358 195 193 282 447 167 283 256 373 239 267 0.957 18.20 -5.2 93 93 93 95 462 13.3 1.595 -0.073 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1082 Citric acid 18.2441 1802.8 3.1 scans 86% TIC 0.13% 0.317% 1155 1.2 336 175711 1.37% 2988542 2988542 12905755 0-0 0.948 18.32 -5.9 98 97 96 99 465 46.0 1.876 -0.077 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5861 1828.9 3.5 scans 84% 217 m/z 0.44% 0.0960% 1188 1.2 181 54403 0.102% 904642 851936 960866 3-2 19: 217 73 147 191 218 319 219 74 189 305 133 205 332 192 230 148 157 131 291 0.992 18.67 -6.4 94 92 93 96 319 32.1 3.136 -0.083 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1076 Pregnane?? 18.8155 1846.4 4.7 scans 97% 345 m/z 0.0077% 6.95% 1210 0.4 1332 3127967 65522263 65336863 1-0 20: 345 73 346 255 147 347 334 191 204 256 435 372 133 74 257 148 75 239 348 335 0.998 18.86 -3.3 100 100 99 100 537 97.1 0.535 -0.043 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1074 Adenine 18.8723 1850.7 3.1 scans 33% 264 m/z 0.96% 0.0156% 1215 1.1 79 25230 0.0722% 147499 146676 680143 0-1 8: 264 279 265 266 280 84 165 237 0.983 18.94 -5.2 91 91 80 92 415 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1072 Fructose 18.9859 1859.4 4.2 scans 97% 73 m/z 0.014% 4.75% 1226 0.4 1130 1671162 44754836 42833582 4-1 20: 73 307 217 103 147 308 277 218 309 133 364 189 205 117 74 219 104 89 148 191 1.000 19.03 -3.6 100 98 99 100 364 129.8 1.325 -0.047 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN TAB_REP6-N1052 Fructose 19.1122 1869.0 3.9 scans 96% 73 m/z 0.017% 3.51% 1238 0.5 1020 1355446 9.15% 33138924 31112472 86195371 2-2 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 262 117 219 89 189 104 148 1.000 19.10 0.6 100 99 100 100 364 117.8 1.339 0.008 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1068 Galactopyranose 19.2395 1878.8 3.0 scans 87% 204 m/z 0.034% 0.838% 1250 1.1 582 706545 7.25% 7897147 7897147 68296879 0-0 19: 204 73 191 147 217 205 206 192 129 74 218 133 193 189 75 117 148 203 219 0.999 19.32 -5.7 98 96 95 98 435 41.1 0.501 -0.075 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1064 Mannose 19.3405 1886.5 4.8 scans 95% 319 m/z 0.0095% 7.99% 1260 0.3 1414 2553990 8.48% 75318077 73457344 79883797 0-1 20: 319 73 205 147 160 320 217 103 321 206 117 229 129 133 157 74 189 161 148 207 0.988 19.45 -8.7 100 99 98 100 319 565.0 16.036 -0.114 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN BRA4_R~2-N1004 Galactose 19.3405 1886.5 4.8 scans 60% 319 m/z (273) 0.0095% 5.17% 1260 0.3 1127 2553990 5.49% 48756601 47552069 51717223 0-1 20: 319 73 205 147 160 320 217 103 321 206 117 229 129 133 157 74 189 161 148 207 0.985 19.36 -1.6 87 89 67 89 364 0.0 0.000 -0.020 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5110 1899.5 2.6 scans 42% 174 m/z (273 319) 0.043% 0.364% 1276 0.9 388 556113 0.373% 3432154 3334597 3513757 1-0 15: 174 175 338 86 176 339 100 179 250 264 340 164 172 144 87 0.851 19.49 1.7 87 91 73 95 338 88.5 5.221 0.021 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1062 Glucose 19.5520 1902.7 2.7 scans 95% TIC 0.024% 1.78% 1280 0.7 826 978166 2.36% 16786584 16786584 22231812 0-0 0.996 19.66 -8.4 99 98 97 98 319 310.9 14.217 -0.104 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1060 Lysine 19.6099 1907.4 2.8 scans 43% 174 m/z 1.6% 0.0263% 1285 1.0 100 14806 0.374% 248024 236603 3523177 0-1 17: 174 317 156 318 128 230 175 100 86 434 200 130 176 115 140 88 154 0.924 19.69 -6.7 89 89 84 96 479 2.8 0.080 -0.083 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN TAB_REP6-N1061 Lysine 19.6130 1907.6 3.6 scans 73% TIC 0.99% 0.0469% 1286 1.2 131 24449 1.86% 442073 422096 17521682 0-1 0.959 19.61 0.0 81 72 76 99 434 11.9 0.833 0.000 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7140 1915.8 3.0 scans 49% TIC 3.6% 0.00571% 1295 1.2 65 6654 0.0760% 53831 53831 715940 0-0 0.897 19.79 -6.1 89 90 79 90 434 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN N406_R~2-N1016 Galacturonic acid 19.7677 1920.1 2.6 scans 26% 333 m/z 2.9% 0.00617% 1300 1.2 50 8236 0.00830% 58169 56036 78188 0-3 5: 333 160 334 335 364 0.964 19.79 -2.0 91 91 86 96 423 5.9 1.352 -0.025 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2970 1962.6 2.6 scans 97% 204 m/z 0.017% 1.78% 1351 0.6 847 1365412 16772099 15985981 1-1 20: 204 73 191 147 217 205 206 192 189 129 218 133 74 103 75 193 148 305 435 117 1.000 20.41 -9.4 99 97 98 99 217 184.1 4.753 -0.117 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1054 Gluconic acid 3 20.4622 1975.9 3.0 scans 80% 73 m/z 0.83% 0.0441% 1366 1.3 139 29231 0.156% 415908 415908 1469560 0-0 20: 73 147 333 292 319 205 334 217 293 103 117 204 305 320 74 423 133 294 435 148 0.984 20.55 -7.0 91 90 92 93 613 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1052 Gluconic acid 2 20.5127 1980.0 2.7 scans 80% 73 m/z 0.42% 0.0713% 1371 1.0 194 56798 0.153% 672122 672122 1441300 0-0 20: 73 292 147 319 217 205 333 305 293 103 307 320 433 74 277 359 294 334 133 117 0.957 20.60 -6.7 94 92 93 95 613 4.7 0.058 -0.084 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1050 Gluconic acid 20.5642 1984.1 2.8 scans 75% TIC 1.5% 0.0206% 1376 1.0 100 15896 0.217% 194586 180957 2044196 0-3 0.976 20.65 -6.8 94 94 89 94 613 5.4 0.293 -0.084 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1048 Galactaric acid 21.0735 2026.2 3.4 scans 69% TIC 3.6% 0.00827% 1424 1.3 59 6582 0.0447% 77944 77944 421086 0-0 0.955 21.15 -6.5 87 87 84 88 627 4.5 0.586 -0.078 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN WTF2-N1038 C16:0 21.1292 2030.9 2.7 scans 79% 313 m/z 1.4% 0.0333% 1430 1.0 112 16693 314134 282603 4-6 19: 313 117 75 129 132 314 145 55 57 328 315 56 131 118 285 69 116 97 83 0.970 20.62 42.6 90 97 93 96 328 12.1 1.156 0.512 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6890 2077.9 9.1 scans 100% 507 m/z 0.011% 15.2% 1483 1.2 1440 2127976 144018596 143375639 1-0 8: 507 509 508 614 396 523 421 390 0.999 21.75 -5.0 100 99 99 99 507 111.0 0.596 -0.060 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN INOSIT~1-N1022 myo-Inositol 21.7101 2079.7 8.3 scans 9.7% 306 m/z (305) 0.093% 1.52% 1485 0.6 465 259192 14401368 14062262 1-1 13: 306 307 320 433 293 368 316 394 508 294 208 346 158 0.966 21.74 -2.6 83 85 62 88 507 109.7 5.570 -0.031 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1044 myo-Inositol 21.7164 2080.2 8.3 scans 38% 305 m/z (73) 0.012% 6.08% 1485 0.2 928 1943225 57318772 56139600 1-1 17: 305 507 321 343 392 612 436 407 396 271 173 378 381 280 178 371 182 0.964 21.77 -4.2 94 94 93 98 612 38.6 0.173 -0.051 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1040 myo-Inositol 21.7280 2081.2 7.8 scans 60% 73 m/z (306) 0.010% 9.15% 1487 0.2 1185 2265134 86201825 84322962 1-1 20: 73 217 305 147 191 318 204 265 319 218 133 129 74 307 103 192 148 75 291 219 0.853 21.78 -4.4 89 93 95 92 378 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8563 2092.0 3.2 scans 85% 319 m/z 0.73% 0.0583% 1499 1.0 146 33045 2.40% 550114 526352 22608622 5-0 13: 319 205 320 262 103 321 117 89 229 263 157 376 207 0.986 21.93 -6.1 96 95 94 96 656 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1793 2119.9 2.6 scans 83% 396 m/z 0.66% 0.0614% 1529 1.0 159 36362 578886 564667 0-3 19: 396 219 397 381 220 398 191 382 307 249 293 321 399 383 308 221 250 233 192 0.907 22.19 -0.6 98 97 93 99 396 62.5 15.420 -0.007 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1032 trans-Caffeic acid 22.1856 2120.4 2.7 scans 61% 319 m/z 0.59% 0.0379% 1530 1.1 142 40758 0.131% 357409 357409 1234054 0-0 15: 319 205 147 320 103 133 117 175 206 189 395 89 229 148 172 0.667 22.25 -5.6 90 91 67 91 396 62.5 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6465 2160.7 3.6 scans 85% 204 m/z 0.73% 0.0483% 1574 1.5 123 32853 0.103% 455512 445086 970287 1-0 15: 204 73 205 147 249 217 206 361 131 191 218 75 133 189 362 0.979 22.71 -5.8 96 94 95 99 518 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN WTF2-N1036 C18:0 23.3788 2225.8 3.6 scans 75% TIC 1.8% 0.0322% 1643 1.2 106 12848 0.0948% 303363 288181 893041 2-0 0.949 22.89 44.0 90 97 93 96 356 13.9 1.713 0.490 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1017 2291.8 3.1 scans 62% TIC 3.3% 0.00469% 1712 1.5 56 7247 0.109% 44203 44203 1026808 0-0 0.931 24.01 8.3 83 82 81 89 490 0.0 0.000 0.092 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6352 2342.2 3.1 scans 90% TIC 0.28% 0.220% 1763 0.6 247 84473 2078147 1989538 7-0 0.976 24.65 -1.4 98 97 96 99 466 14.3 0.335 -0.015 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7267 2350.9 2.6 scans 92% 73 m/z 0.30% 0.154% 1772 1.2 253 79984 0.158% 1459108 1417837 1488401 1-1 20: 73 217 204 147 292 375 103 305 219 451 205 218 376 129 293 74 133 233 148 363 0.990 24.81 -7.5 98 97 97 98 451 29.6 1.374 -0.078 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3566 2510.7 2.7 scans 98% 204 m/z 0.020% 1.66% 1926 0.7 802 1200802 15663409 15270426 0-7 20: 204 73 205 495 147 217 206 496 117 363 129 273 497 191 74 131 103 319 231 75 1.000 26.35 0.7 100 99 99 99 495 155.0 3.762 0.007 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5196 2527.5 2.7 scans 52% 512 m/z 0.69% 0.0736% 1942 0.9 175 34804 693869 692991 0-1 18: 512 455 513 247 456 57 483 514 457 349 263 484 248 497 423 515 383 179 0.955 26.57 -5.6 97 97 86 97 512 66.0 14.197 -0.053 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1020 Sucrose 27.3961 2618.7 11.5 scans 10% 437 m/z (361) 0.039% 1.75% 2025 2.0 439 608342 16578377 16014320 1-1 20: 437 451 438 364 229 291 450 454 183 333 199 143 150 159 247 317 366 156 334 207 0.718 27.46 -6.9 93 95 94 97 437 275.7 39.665 -0.065 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1010 Sucrose 27.4046 2619.6 11.5 scans 94% 361 m/z 0.0071% 16.8% 2026 1.5 1361 3411775 158715258 153576008 1-1 20: 361 362 363 319 331 230 189 321 241 345 233 192 144 346 275 185 181 234 266 261 0.997 27.58 -18.6 100 99 98 99 437 271.0 3.990 -0.174 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1014 Sucrose 27.4088 2620.0 11.6 scans 94% 219 m/z 0.0069% 15.7% 2026 1.2 1359 3484517 17.3% 148627952 143435629 162970483 1-0 19: 219 272 320 257 273 189 256 149 306 345 259 347 435 233 190 192 134 261 208 1.000 27.49 -8.7 100 100 99 100 437 275.7 4.147 -0.081 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1018 Sucrose 27.4140 2620.6 11.5 scans 69% 217 m/z (73) 0.0069% 11.9% 2027 1.0 1168 3484517 13.2% 112145594 108730736 124347421 1-0 20: 217 147 271 244 305 143 157 246 221 171 175 115 293 335 292 278 142 255 289 151 0.954 27.47 -5.9 95 96 76 96 437 273.5 5.514 -0.056 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1008 Sucrose 27.4330 2622.6 11.2 scans 99% 103 m/z 0.0074% 14.3% 2029 0.5 1367 3247361 16.0% 135345119 130873885 150724146 1-0 16: 103 204 423 307 424 308 317 425 104 309 306 206 161 105 426 539 1.000 27.59 -16.9 100 99 98 99 437 254.9 3.504 -0.158 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1016 Sucrose 27.4729 2626.9 11.5 scans 53% 73 m/z (452) 0.013% 1.71% 2033 2.1 978 1842106 9.14% 16187228 16187228 86101168 0-0 20: 73 217 147 271 103 169 129 243 218 319 191 205 219 204 189 230 331 148 272 117 0.826 27.48 -0.4 88 90 93 94 437 92.4 0.000 -0.004 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN LQC1-N1006 Trehalose 28.3705 2723.9 3.6 scans 33% TIC 3.7% 0.00222% 2118 1.4 49 6532 0.0920% 20924 20924 866664 0-0 0.858 28.47 -11.0 91 92 75 91 565 0.0 0.000 -0.098 G:\GCMS data\Nicotiana Panel polar\P_N407_REP5.FIN GUA35_L1-N1020 Galactinol 30.1382 2924.0 3.0 scans 89% 204 m/z 0.45% 0.0711% 2286 1.1 164 53679 0.116% 670419 603819 1092750 0-7 20: 204 73 217 205 147 191 305 206 361 433 129 218 103 434 343 306 148 230 641 192 0.996 30.55 -48.4 90 95 95 98 641 12.7 0.601 -0.407 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN EXBLK5S-N1006 Contamination 6.3427 1046.6 4.7 scans 38% 207 m/z 5.7% 0.0148% 24 2.1 41 3950 77596 49551 7-2 6: 207 208 295 296 209 191 0.937 6.63 -16.7 92 93 81 93 295 14.1 12.037 -0.282 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1194 Alanine 7.4223 1110.6 >14 scans 60% TIC 3.6% 0.0328% 127 1.3 56 6241 0.0748% 171584 171584 390455 0-0 0.943 7.40 1.1 89 90 86 91 283 0.0 0.000 0.018 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN A-KETO~2-N1006 Contamination?? 7.9537 1142.1 2.8 scans 72% 156 m/z 3.9% 0.0118% 177 1.3 57 5762 61899 53772 16-1 6: 156 75 55 157 54 61 0.984 7.96 -0.1 98 98 94 98 156 30.8 29.448 -0.003 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1192 Contamination 8.0347 1146.9 2.6 scans 80% 73 m/z 2.5% 0.0214% 185 0.9 82 8792 0.0342% 111949 99178 178523 1-10 18: 73 147 133 220 72 59 148 146 160 89 103 86 100 149 74 131 70 88 0.972 7.99 2.7 97 97 92 96 235 15.9 3.773 0.046 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN WTF2-N1026 Cadaverine NC 8.1820 1155.6 3.9 scans 61% 174 m/z (142) 6.2% 0.00953% 199 1.1 40 3667 0.0173% 49776 45407 90306 5-0 8: 174 216 175 100 86 59 130 160 0.963 7.74 26.4 89 94 80 93 216 10.4 6.928 0.446 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1188 Contamination 8.3693 1166.7 5.1 scans 86% 281 m/z 1.0% 0.105% 217 1.9 124 22676 0.108% 551493 425169 563758 5-0 19: 281 73 147 369 282 283 265 370 249 371 266 207 251 193 267 205 372 177 189 0.993 8.41 -2.7 99 97 84 99 369 35.0 7.969 -0.046 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1190 Contamination 8.4671 1172.5 3.9 scans 71% 73 m/z 4.6% 0.0165% 226 1.1 60 4937 0.0423% 86483 84818 220805 0-3 10: 73 140 198 77 211 187 126 69 70 186 0.979 8.48 -1.0 84 84 78 87 309 5.5 0.829 -0.017 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1186 Phosphate 8.5776 1179.1 2.6 scans 77% 241 m/z 2.6% 0.0109% 237 1.0 59 8654 57019 55956 0-1 9: 241 242 211 256 133 243 195 135 89 0.981 8.56 1.1 96 96 88 96 299 0.0 0.000 0.017 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1184 Valine 9.1921 1215.3 4.9 scans 63% 144 m/z 6.6% 0.00794% 295 0.4 36 3426 41452 41452 1-0 2: 144 218 0.940 9.19 0.3 90 91 81 92 218 12.0 11.092 0.004 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1178 Ethanolamine 9.9991 1262.5 5.0 scans 84% 174 m/z 2.1% 0.0354% 372 0.8 74 10611 0.142% 185013 177486 741238 1-0 8: 174 73 175 201 100 176 59 117 0.989 10.03 -2.0 91 89 87 95 262 7.7 1.083 -0.035 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN VEN77_S6-N1002 Glycerol 10.0843 1267.5 2.7 scans 95% TIC 0.058% 0.596% 380 1.0 429 386159 3115065 2974360 1-1 0.986 10.09 -0.5 100 99 97 100 299 252.2 34.563 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN A-AMYRIN-N1012 Contamination?? 10.2474 1277.0 3.0 scans 79% 198 m/z 3.0% 0.0123% 395 1.2 57 7424 0.0127% 64643 63190 66294 0-1 8: 198 73 77 211 70 239 199 74 0.974 10.24 0.4 92 92 86 92 381 6.5 1.284 0.007 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1176 Isoleucine 10.4326 1287.9 3.2 scans 39% 158 m/z 9.6% 0.00290% 413 0.9 26 2368 15162 15162 1-0 2: 158 218 0.776 10.46 -1.5 88 90 63 90 260 0.0 0.000 -0.026 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1012 Proline 10.5231 1293.2 3.3 scans 81% 142 m/z (180) 0.95% 0.0398% 422 0.7 89 23759 0.466% 207759 175473 2432512 4-0 8: 142 73 143 216 144 72 59 66 0.988 10.53 -0.6 93 94 91 95 216 17.8 3.970 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1014 Maleic acid 10.6126 1298.4 2.7 scans 98% 147 m/z 0.040% 0.879% 430 0.7 513 564524 4588650 4464597 1-1 20: 147 73 148 245 75 149 83 133 74 115 246 59 143 84 170 58 126 72 54 66 0.999 10.60 0.6 98 96 98 98 245 113.3 4.890 0.011 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1170 Glycine 10.6652 1301.5 4.3 scans 31% 174 m/z 7.0% 0.00379% 435 0.8 29 3234 0.0127% 19811 19811 66294 0-0 3: 174 248 175 1.000 10.69 -1.3 81 82 57 82 276 6.1 4.486 -0.022 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7462 1306.4 2.5 scans 96% 147 m/z 0.032% 1.06% 443 0.8 577 695966 5553117 5172768 2-2 20: 147 73 76 148 251 149 58 132 133 74 252 75 177 150 59 176 72 118 62 131 0.996 10.76 -0.7 99 97 96 99 251 132.9 5.318 -0.012 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1168 Glyceric acid 11.0198 1322.9 2.5 scans 97% 73 m/z 0.16% 0.323% 469 0.9 327 135625 1688661 1642272 1-1 20: 73 147 292 189 133 103 293 205 102 190 117 307 148 294 75 74 59 149 101 191 1.000 11.05 -2.0 100 99 99 100 292 95.6 8.529 -0.034 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0829 1326.7 2.4 scans 80% TIC 6.6% 0.00897% 475 1.1 58 3414 0.285% 46853 46233 1487695 0-1 0.971 11.06 1.2 96 97 89 97 285 16.9 8.409 0.020 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1164 Itaconic acid 11.2176 1334.8 2.9 scans 61% 147 m/z 8.1% 0.00486% 488 0.6 34 2804 25391 19860 2-3 2: 147 73 0.908 11.25 -2.1 82 82 73 87 259 6.6 3.714 -0.034 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1162 Fumaric acid 11.3659 1343.7 2.4 scans 98% 245 m/z 0.10% 0.369% 502 0.8 348 219818 1929683 1916073 1-0 20: 245 147 73 246 75 143 83 247 133 148 149 84 115 155 53 74 59 61 58 157 0.999 11.39 -1.6 100 99 98 99 245 190.3 29.853 -0.027 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4564 1349.2 3.8 scans 53% 57 m/z (84) 1.8% 0.0299% 510 1.0 80 12265 0.0554% 156490 148021 289187 1-0 15: 57 97 145 115 127 56 69 129 111 71 109 128 58 146 72 0.988 11.45 0.7 95 97 96 97 145 22.2 7.695 0.010 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN WTF2-N1024 Contamination 10.96min 11.4732 1350.2 6.1 scans 75% TIC 0.60% 0.0751% 512 0.6 142 37387 0.429% 392350 378406 2239373 2-0 0.824 10.96 31.2 95 96 96 99 161 33.1 5.427 0.517 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1020 Serine 11.5027 1351.9 >3 scans 81% TIC 0.96% 0.0870% 515 1.3 140 23476 0.462% 454289 437561 2411633 0-1 0.971 11.51 -0.7 98 96 94 98 306 14.7 1.101 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1160 Serine 11.5059 1352.1 2.8 scans 75% 204 m/z (84) 0.97% 0.0615% 515 1.1 135 23343 321293 309014 3-1 17: 204 73 218 205 100 147 278 219 206 306 74 220 190 203 101 280 148 0.982 11.56 -3.1 93 94 91 95 306 14.4 1.134 -0.051 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN BRA4_R~2-N1008 Thymine 11.5890 1357.1 2.9 scans 34% 255 m/z 24% 0.000805% 523 1.2 15 928 4203 4203 0-0 1: 255 1.000 11.58 0.3 81 91 71 91 270 7.0 20.606 0.005 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1024 Threonine 11.9152 1376.8 2.7 scans 88% 73 m/z 1.6% 0.0339% 554 1.2 101 13729 177294 162911 1-2 20: 73 218 219 117 291 292 101 147 100 57 203 74 202 293 132 75 133 129 128 130 0.992 11.92 -0.3 97 96 94 98 320 9.0 0.787 -0.006 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2736 1461.2 3.0 scans 90% TIC 1.1% 0.0494% 683 1.9 118 19039 0.0967% 258156 258156 504772 0-0 0.993 13.31 -2.1 98 98 95 98 349 13.2 1.250 -0.032 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1148 Glutamine?? 13.3114 1463.6 >2 scans 71% TIC 3.2% 0.00832% 687 2.8 58 7101 0.0767% 43454 43454 400373 0-0 0.983 13.35 -2.3 84 80 83 92 257 5.5 0.899 -0.036 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1146 Malic acid 13.6271 1483.5 7.3 scans 97% 73 m/z 0.0071% 19.9% 717 0.2 1558 3187985 104229972 98867344 1-1 20: 73 147 233 245 133 189 148 190 75 74 55 175 101 191 149 335 234 117 72 59 0.998 13.62 0.7 100 99 99 100 350 40.8 0.069 0.010 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1142 Erythritol/Threitol 13.8344 1496.6 2.6 scans 87% 73 m/z 1.1% 0.0455% 736 1.1 124 20482 0.0635% 237691 237691 331469 0-0 20: 73 217 147 205 103 204 117 307 189 191 74 206 129 218 293 148 116 219 101 131 0.993 13.89 -3.5 98 97 97 99 320 11.0 0.780 -0.056 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1140 Aspartic acid 14.0269 1509.1 2.5 scans 34% 232 m/z (156) 1.2% 0.0242% 755 1.3 83 17691 126447 114569 1-2 9: 232 233 100 218 234 188 202 216 219 0.727 14.09 -4.0 91 95 55 93 349 4.8 0.340 -0.060 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1028 Aspartic acid 14.0269 1509.1 2.5 scans 32% 232 m/z 1.2% 0.0219% 755 1.3 80 17781 114372 103628 1-2 9: 232 233 100 218 234 188 202 216 219 0.988 14.02 0.6 91 91 85 92 258 4.0 0.000 0.010 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0606 1511.4 3.0 scans 93% TIC 0.22% 0.218% 758 0.5 230 103226 1138990 1135098 0-1 0.994 14.11 -3.3 93 89 94 98 273 9.2 0.160 -0.049 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1032 GABA 14.1932 1520.2 2.7 scans 85% 174 m/z 0.37% 0.137% 770 1.0 199 61123 0.139% 715885 680964 725578 0-2 15: 174 304 175 305 86 176 306 59 216 100 133 143 148 172 130 0.998 14.19 0.4 99 98 97 98 304 60.5 9.195 0.005 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3563 1531.0 2.6 scans 91% TIC 0.83% 0.0634% 786 0.7 137 27281 331387 304687 1-2 0.997 14.62 -17.6 98 97 95 97 409 11.0 0.646 -0.265 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6067 1547.6 2.4 scans 98% 73 m/z 0.12% 0.390% 810 1.0 364 179394 2037520 2035849 1-0 20: 73 292 147 220 205 293 217 117 103 221 74 133 294 148 319 291 75 102 149 206 0.999 14.69 -5.6 100 99 98 99 409 26.5 0.530 -0.085 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3706 1598.2 2.6 scans 69% 217 m/z 2.1% 0.0119% 882 1.1 65 10648 0.0165% 62168 62168 86130 0-0 3: 217 218 219 0.970 15.44 -4.8 92 92 88 93 393 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1036 Glutamic acic 15.4948 1606.8 2.5 scans 72% 246 m/z 4.0% 0.00919% 894 1.1 56 5644 47991 47991 1-0 6: 246 247 128 156 348 248 0.966 15.50 -0.6 95 94 90 99 363 5.5 0.973 -0.008 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1118 Phenylalanine 15.6021 1614.2 2.7 scans 68% 192 m/z 3.7% 0.0153% 904 1.2 67 6108 79882 79882 0-0 7: 192 218 219 100 220 91 266 0.978 15.66 -4.0 84 84 82 84 294 5.5 0.666 -0.057 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1038 Xylose 15.8799 1633.5 6.1 scans 71% 217 m/z 3.4% 0.0121% 931 0.8 62 6526 0.0878% 63545 61098 458315 1-0 5: 217 73 103 307 160 0.944 15.89 -0.7 91 90 87 95 307 16.8 7.236 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1040 Xylose 15.9956 1641.6 2.6 scans 90% 73 m/z 0.82% 0.0629% 942 1.1 144 27422 0.0995% 328422 312925 519388 2-1 20: 73 103 307 217 147 308 160 189 133 218 117 277 74 204 104 75 309 205 219 89 0.987 16.00 -0.5 98 97 97 98 307 38.6 7.211 -0.008 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1042 Ribose 16.0935 1648.4 2.6 scans 83% TIC 2.3% 0.0193% 951 0.9 82 9569 0.115% 101075 95372 600298 2-0 0.995 16.10 -0.6 95 95 93 95 307 23.5 8.281 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2166 1656.9 2.8 scans 88% TIC 0.97% 0.0385% 963 1.9 99 23332 0.0686% 200978 191164 358091 1-0 0.993 16.28 -4.2 99 98 95 99 392 15.8 2.558 -0.059 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6048 1683.9 2.7 scans 91% 73 m/z 1.4% 0.0447% 1000 1.4 112 15402 0.0528% 233694 225707 275615 0-1 18: 73 307 319 103 217 205 308 306 117 129 321 277 148 229 157 189 133 317 0.994 16.68 -4.9 98 98 95 98 497 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9131 1705.6 2.6 scans 88% 73 m/z 0.94% 0.0554% 1029 1.1 141 24096 0.180% 289271 289271 939597 0-0 20: 73 217 147 103 205 319 307 218 129 204 308 189 133 74 148 320 219 243 191 206 0.992 16.99 -5.5 96 96 94 96 422 5.5 0.151 -0.076 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9857 1710.9 3.0 scans 86% TIC 1.2% 0.0557% 1036 1.2 121 18135 0.208% 290803 284962 1085757 0-1 0.977 17.06 -5.6 96 95 92 95 510 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1044 Putrescine 17.1783 1724.9 2.8 scans 57% 174 m/z (73) 4.7% 0.00595% 1054 1.0 42 4756 31075 30339 0-2 5: 174 175 172 86 214 0.948 17.19 -0.7 85 87 80 88 376 0.0 0.000 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1096 Putrescine 17.1783 1724.9 2.8 scans 45% 174 m/z 4.7% 0.00471% 1054 1.0 37 4780 24618 24034 0-2 5: 174 175 172 86 214 1.000 17.25 -5.1 89 90 85 90 458 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3666 1738.7 3.0 scans 80% TIC 2.7% 0.0207% 1072 1.2 78 8223 0.215% 108110 108110 1122297 0-0 0.981 17.44 -5.6 94 94 91 94 511 5.5 0.495 -0.076 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5549 1752.4 2.6 scans 89% 217 m/z 0.32% 0.129% 1090 0.8 202 71008 0.175% 678294 596516 913497 0-2 18: 217 73 218 147 219 450 451 74 305 215 129 232 191 148 149 169 72 220 0.998 17.63 -5.6 97 97 96 97 450 28.1 1.933 -0.077 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6875 1762.1 2.8 scans 66% 334 m/z (217) 2.7% 0.0313% 1103 0.7 86 8418 0.0362% 163498 143583 188963 6-3 10: 334 204 256 255 335 375 336 166 167 211 0.964 17.70 -0.8 87 89 82 89 375 10.0 1.370 -0.011 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1086 Fructofuranose 18.0516 1788.7 2.8 scans 79% 217 m/z 0.60% 0.100% 1137 1.5 169 37719 0.315% 526006 507621 1644295 1-0 15: 217 73 437 438 218 439 257 74 230 103 215 291 129 347 303 0.987 18.13 -5.9 97 97 94 97 437 51.9 9.431 -0.082 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1046 Shikimic acid 18.1147 1793.3 3.0 scans 82% TIC 0.27% 0.155% 1143 0.6 225 83864 0.566% 813834 813834 2954511 0-0 0.959 18.13 -0.7 95 94 93 97 372 26.4 1.382 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1082 Citric acid 18.2389 1802.4 2.9 scans 90% TIC 0.28% 0.250% 1155 1.2 264 80032 0.615% 1306704 1214401 3210290 0-1 0.981 18.32 -6.3 99 98 96 99 465 38.1 2.085 -0.082 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1076 Pregnane?? 18.7744 1843.3 2.5 scans 98% 345 m/z 0.030% 1.80% 1206 0.8 766 749414 9427544 9164291 1-1 20: 345 73 255 346 147 347 334 191 204 256 435 419 133 372 74 148 257 75 239 348 1.000 18.86 -6.4 100 100 99 100 537 58.0 0.575 -0.084 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1074 Adenine 18.8681 1850.4 2.9 scans 29% 264 m/z 6.9% 0.00398% 1215 1.2 33 3281 0.0441% 20783 19124 230201 1-0 4: 264 265 279 266 0.973 18.94 -5.5 92 93 81 93 415 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1072 Fructose 18.9733 1858.5 3.7 scans 98% 73 m/z 0.012% 7.76% 1225 0.5 1337 1776171 40528782 40320292 1-0 20: 73 307 217 103 147 308 218 277 133 309 205 364 189 74 117 104 219 89 191 148 1.000 19.03 -4.5 100 98 99 100 364 151.1 1.282 -0.060 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1052 Fructose 19.0985 1868.0 3.1 scans 97% 307 m/z 0.016% 5.54% 1237 0.5 1177 1349898 28942385 27370006 2-1 20: 307 73 217 103 147 308 218 277 309 364 205 133 262 74 219 117 189 89 191 148 1.000 19.10 -0.4 100 99 100 100 364 138.3 1.386 -0.005 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1056 Glucose 19.1459 1871.6 >3 scans 31% 319 m/z 4.1% 0.00635% 1241 1.4 74 5431 5.82% 33180 33180 30380306 0-0 7: 319 205 73 160 320 147 321 0.894 19.33 -14.2 81 82 73 84 364 4.6 0.381 -0.186 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1054 Galactose 19.2164 1877.0 3.6 scans 57% 73 m/z (204) 0.56% 0.102% 1248 0.8 167 40350 17.7% 537591 537591 92393714 0-0 20: 73 147 217 205 206 189 74 218 103 133 203 117 148 305 75 149 244 190 72 101 0.969 19.22 -0.0 89 90 89 93 376 5.6 0.112 0.000 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1068 Galactopyranose 19.2206 1877.3 2.9 scans 33% 204 m/z 0.47% 0.0563% 1248 1.3 128 47466 0.612% 294272 289680 3194630 2-0 11: 204 191 192 129 193 435 203 305 243 393 361 0.590 19.32 -7.2 93 96 64 93 435 13.9 1.183 -0.094 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1064 Mannose 19.3100 1884.1 3.3 scans 97% 319 m/z 0.011% 8.37% 1257 0.4 1437 1990979 43730323 42277299 1-1 20: 319 73 205 147 160 320 217 321 206 103 117 229 157 129 74 148 133 189 207 204 0.999 19.45 -11.1 100 98 99 100 319 572.6 15.938 -0.145 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1059 Glucose 19.5341 1901.3 2.7 scans 96% 73 m/z 0.042% 1.53% 1278 0.8 674 533539 8032923 7705448 2-1 20: 73 319 205 147 320 160 103 217 321 133 206 117 74 129 89 204 229 148 75 157 0.997 19.55 -1.4 100 99 99 99 376 25.7 0.146 -0.018 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1062 Glucose 19.5341 1901.3 2.8 scans 96% TIC 0.042% 1.58% 1278 0.7 676 537767 8297551 8022972 1-1 0.994 19.66 -9.8 99 98 98 98 319 240.8 12.752 -0.122 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1060 Lysine 19.5983 1906.5 2.8 scans 28% 174 m/z 13% 0.00417% 1284 0.9 35 1673 21811 21811 0-0 5: 174 317 156 128 230 0.930 19.69 -7.6 83 85 72 85 479 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1061 Lysine 19.6015 1906.7 3.7 scans 52% TIC 6.2% 0.00755% 1284 1.2 48 3623 39419 39419 0-0 0.878 19.61 -0.9 81 79 72 88 434 5.1 1.110 -0.012 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7025 1914.8 2.7 scans 67% 73 m/z 3.3% 0.0127% 1294 1.0 68 6707 0.0604% 66447 59072 315287 1-1 8: 73 244 205 147 319 117 89 59 0.952 19.79 -7.1 83 84 78 83 434 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN N406_R~2-N1016 Galacturonic acid 19.7572 1919.2 2.9 scans 23% 333 m/z 9.8% 0.00285% 1299 1.3 29 2306 0.00289% 14907 14907 15086 0-0 4: 333 160 334 335 0.968 19.79 -2.9 88 90 81 90 423 3.5 1.464 -0.036 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1056 Ascorbic acid 19.8908 1930.0 3.0 scans 74% 73 m/z 1.4% 0.0453% 1312 1.1 109 16207 0.119% 236473 174729 621178 0-4 18: 73 332 147 333 117 205 359 259 361 133 74 148 345 260 331 149 215 59 0.958 19.99 -7.7 94 93 89 94 449 10.8 0.976 -0.095 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2728 1960.7 2.6 scans 95% 204 m/z 0.24% 0.245% 1348 1.2 276 91976 1279224 1255563 0-1 20: 204 73 191 147 217 205 206 192 74 129 133 189 218 75 193 149 131 291 231 345 0.972 20.41 -11.3 95 94 95 97 217 63.2 5.235 -0.141 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1054 Gluconic acid 3 20.4485 1974.8 2.9 scans 81% 73 m/z 1.6% 0.0322% 1365 1.1 108 13796 0.0854% 168284 168284 445787 0-0 20: 73 333 147 292 205 334 319 217 293 103 204 335 359 320 148 305 433 117 74 133 0.985 20.55 -8.1 94 94 90 94 613 0.0 0.000 -0.101 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1052 Gluconic acid 2 20.4990 1978.9 3.0 scans 84% TIC 1.6% 0.0353% 1370 0.9 104 13787 0.0901% 184443 184443 470321 0-0 0.999 20.60 -7.8 92 91 91 91 613 0.0 0.000 -0.098 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN WTF2-N1038 C16:0 21.1240 2030.4 2.7 scans 93% 313 m/z 0.87% 0.0878% 1429 1.1 167 26104 0.0882% 458651 444695 460403 2-2 20: 313 117 73 75 132 129 314 145 55 57 118 131 69 315 328 201 74 95 269 76 0.996 20.62 42.1 93 97 97 98 328 17.4 1.076 0.507 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6869 2077.7 4.2 scans 97% 305 m/z 0.010% 13.1% 1483 0.4 1623 2071345 68789884 65813444 1-1 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 133 433 192 320 129 367 219 0.996 21.75 -5.2 100 100 99 100 507 124.8 0.594 -0.062 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8490 2091.3 3.0 scans 96% 73 m/z 0.19% 0.402% 1498 1.1 328 117720 2100887 2011675 1-2 20: 73 319 205 147 320 217 103 321 262 117 206 74 133 204 229 89 157 148 291 129 0.999 21.93 -6.8 96 94 97 99 656 7.6 0.054 -0.081 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1741 2119.4 2.6 scans 91% 396 m/z 0.62% 0.113% 1529 1.1 195 36329 0.139% 592934 574557 725578 1-0 20: 396 73 219 397 381 398 191 220 307 249 293 382 74 75 399 133 308 221 383 233 0.999 22.19 -1.1 93 89 86 99 396 72.0 13.657 -0.012 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6560 2161.5 3.5 scans 83% 204 m/z 2.5% 0.0228% 1575 1.1 74 8784 0.0490% 119355 113990 255779 3-0 10: 204 73 205 147 217 361 206 249 117 191 0.991 22.71 -5.0 90 88 90 94 518 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN WTF2-N1036 C18:0 23.3757 2225.5 2.8 scans 91% 341 m/z 1.2% 0.0623% 1643 1.2 138 18084 0.0758% 325543 309065 395675 1-6 20: 341 117 73 75 132 342 145 129 55 57 356 343 69 131 201 118 297 130 56 61 0.993 22.89 43.7 92 97 94 97 356 18.0 1.686 0.487 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1049 2292.1 3.1 scans 68% 204 m/z 4.1% 0.0111% 1712 0.9 53 5513 0.0218% 58101 51378 113796 1-3 6: 204 337 205 217 103 206 0.988 24.01 8.6 89 89 84 89 490 0.0 0.000 0.095 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6362 2342.3 3.2 scans 93% TIC 0.55% 0.186% 1763 0.6 196 40688 973803 914862 7-1 0.998 24.65 -1.3 98 97 97 98 466 11.4 0.338 -0.014 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7288 2351.1 2.6 scans 91% 73 m/z 1.5% 0.0454% 1772 1.1 118 14541 237027 224695 1-3 20: 73 217 204 147 292 375 305 103 219 451 293 205 129 218 148 233 133 363 131 191 0.994 24.81 -7.3 93 92 90 92 451 14.4 1.490 -0.076 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3387 2508.9 2.7 scans 95% 204 m/z 0.25% 0.217% 1925 1.1 259 87581 1134369 1099917 1-1 20: 204 73 147 495 205 217 206 496 117 363 191 129 130 273 131 103 74 143 218 231 0.998 26.35 -1.1 98 97 97 97 495 48.3 3.479 -0.011 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5197 2527.5 3.0 scans 89% TIC 0.70% 0.136% 1942 1.2 192 32351 714506 664402 3-2 0.985 26.57 -5.6 99 99 95 99 512 67.4 12.288 -0.053 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1020 Sucrose 27.3972 2618.8 7.8 scans 10% 437 m/z (361) 0.039% 2.18% 2025 1.1 493 572214 11418103 11416338 1-0 20: 437 451 438 439 453 450 454 119 441 347 222 101 258 366 346 322 374 260 455 111 0.781 27.46 -6.8 95 97 95 99 437 307.0 38.935 -0.064 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1010 Sucrose 27.3972 2618.8 7.8 scans 100% 437 m/z 0.0067% 21.5% 2025 1.1 1569 3365030 112468687 112451293 1-0 20: 437 451 438 439 453 450 454 119 441 347 222 101 258 366 346 322 374 260 455 111 0.997 27.58 -19.4 100 99 98 99 437 306.6 3.847 -0.182 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1018 Sucrose 27.4046 2619.6 7.7 scans 49% 361 m/z (73) 0.0067% 10.8% 2026 0.2 1104 3365030 56856167 56615358 1-0 20: 361 362 363 331 320 229 365 259 143 321 333 203 221 155 291 307 303 435 135 293 0.880 27.47 -6.9 90 94 56 92 437 307.0 7.795 -0.065 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1014 Sucrose 27.4088 2620.0 >6 scans 90% TIC 0.0067% 17.0% 2026 0.5 1499 3355654 20.4% 89169728 85809182 106487670 1-0 1.000 27.49 -8.7 100 100 99 100 437 307.0 4.229 -0.081 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1008 Sucrose 27.4309 2622.4 7.5 scans 99% 73 m/z 0.0069% 20.8% 2029 0.2 1586 3251412 108741897 106074839 1-1 20: 73 217 147 103 271 129 169 243 218 319 191 74 117 133 75 219 189 272 205 148 1.000 27.59 -17.1 100 99 98 99 437 292.5 3.426 -0.160 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN LQC1-N1006 Trehalose 28.3568 2722.4 3.2 scans 48% 361 m/z 6.9% 0.00636% 2117 1.3 42 3279 0.0194% 33229 32814 101268 0-1 4: 361 362 191 363 0.994 28.47 -12.5 86 87 73 87 565 0.0 0.000 -0.111 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN GUA35_L1-N1020 Galactinol 30.5938 2978.1 3.1 scans 90% TIC 0.93% 0.0517% 2329 1.1 124 24337 0.0802% 270224 254475 418643 2-0 0.997 30.55 5.7 83 82 92 83 641 0.0 0.000 0.049 G:\GCMS data\Nicotiana Panel polar\P_N419_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6112 3099.0 3.2 scans 69% 204 m/z 3.1% 0.0198% 2426 1.0 71 7118 0.137% 103811 96839 715138 0-4 15: 204 205 129 217 103 369 598 295 243 361 206 221 218 599 362 0.979 31.68 -7.6 84 82 79 88 597 13.4 3.569 -0.064 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN EXBLK5S-N1006 Contamination 6.3563 1047.4 4.9 scans 61% 207 m/z 1.6% 0.0797% 26 1.4 82 15610 348854 246755 6-6 10: 207 73 295 208 296 209 191 297 279 177 0.982 6.63 -15.9 97 97 89 97 295 25.5 9.716 -0.269 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1194 Alanine 7.4222 1110.6 14.5 scans 68% TIC 1.8% 0.0833% 127 1.5 79 13851 0.155% 364842 364842 678138 0-0 0.975 7.40 1.1 94 94 92 95 283 0.0 0.000 0.018 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN A-KETO~2-N1006 Contamination?? 7.9683 1142.9 2.5 scans 70% 156 m/z 4.3% 0.0136% 179 1.0 56 5939 59594 48085 23-1 6: 156 75 55 157 54 61 0.956 7.96 0.7 93 92 90 97 156 30.2 28.700 0.011 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1192 Contamination 8.0514 1147.9 2.9 scans 53% TIC 10% 0.00581% 187 1.4 42 2587 0.0210% 25444 24579 91877 0-1 0.835 7.99 3.7 89 92 81 91 235 8.4 3.999 0.062 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1188 Contamination 8.3734 1166.9 6.2 scans 62% 281 m/z 6.5% 0.0201% 217 2.0 45 3996 0.0210% 88305 75973 91877 0-6 4: 281 282 283 369 0.986 8.41 -2.5 95 96 82 96 369 14.2 9.835 -0.042 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1184 Valine 9.2004 1215.8 5.2 scans 83% TIC 1.7% 0.0472% 296 0.5 79 14931 0.0647% 206882 206882 283068 0-0 0.991 9.19 0.8 98 98 94 98 218 23.7 9.035 0.012 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1180 Benzoic acid 9.7634 1248.7 3.4 scans 51% 179 m/z 14% 0.00614% 350 0.6 32 1814 0.00906% 26880 26880 39638 0-0 4: 179 105 135 77 0.794 9.76 0.2 84 83 77 94 194 3.1 0.901 0.004 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1178 Ethanolamine 9.9938 1262.2 4.9 scans 84% 174 m/z 1.1% 0.0877% 371 1.2 102 22618 0.240% 383716 335835 1050021 2-0 15: 174 73 175 100 86 201 176 59 262 133 130 117 129 172 114 0.994 10.03 -2.3 95 93 94 97 262 10.6 1.076 -0.040 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN VEN77_S6-N1002 Glycerol 10.0874 1267.7 2.4 scans 72% 299 m/z 0.18% 0.245% 380 1.1 255 143587 1073326 1071208 0-1 18: 299 300 301 314 211 283 315 193 316 191 135 302 137 181 212 284 225 195 0.932 10.09 -0.3 100 99 96 99 299 148.6 33.829 -0.007 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LACTIC~1-N1034 Glycerol 10.0927 1268.0 4.0 scans 54% 73 m/z (299) 0.32% 0.302% 381 1.2 218 79318 0.368% 1322398 1290618 1610032 0-1 20: 73 158 133 74 75 159 131 119 72 105 232 160 130 61 100 102 57 221 87 128 0.967 10.11 -1.0 94 94 95 99 293 12.1 0.308 -0.017 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1176 Isoleucine 10.4410 1288.4 3.1 scans 70% 158 m/z 1.9% 0.0286% 414 0.6 74 13484 0.0315% 125480 121499 137815 3-0 7: 158 218 159 232 100 219 160 0.978 10.46 -1.0 98 98 95 98 260 5.3 0.518 -0.018 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1012 Proline 10.5283 1293.5 3.2 scans 90% 142 m/z 0.32% 0.137% 422 0.6 166 80237 0.535% 599723 599723 2340672 0-0 18: 142 73 143 216 147 144 74 72 59 66 217 218 68 131 99 100 70 55 0.996 10.53 -0.3 100 99 98 99 216 30.7 3.399 -0.005 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1172 Maleic acid 10.5967 1297.5 2.8 scans 81% TIC 0.82% 0.0570% 429 1.5 124 31541 0.756% 249645 249645 3307566 0-0 0.941 10.62 -1.6 96 94 95 97 245 24.7 3.983 -0.027 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1170 Glycine 10.6640 1301.4 >6 scans 59% TIC 2.6% 0.0122% 435 0.5 67 9974 0.545% 53775 53775 2384422 0-0 0.979 10.69 -1.4 92 92 85 92 276 10.8 2.614 -0.023 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7377 1305.9 2.8 scans 92% TIC 0.10% 0.520% 442 1.3 332 243410 0.623% 2276890 2088518 2725679 2-1 0.969 10.76 -1.2 100 99 98 99 251 74.5 5.027 -0.020 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1168 Glyceric acid 11.0186 1322.8 2.5 scans 94% 73 m/z 0.78% 0.0875% 469 1.0 150 33149 0.0910% 382891 369564 398133 1-1 20: 73 147 189 292 133 103 205 293 117 102 190 294 148 149 59 74 75 101 191 134 0.999 11.05 -2.1 99 98 97 98 292 41.9 7.820 -0.035 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0828 1326.7 2.7 scans 75% TIC 10% 0.00972% 475 0.8 51 2557 0.0916% 42564 42564 400758 0-0 0.989 11.06 1.2 87 85 84 93 285 14.3 7.805 0.020 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1018 Uracil 11.1386 1330.0 2.6 scans 42% 241 m/z 23% 0.00209% 480 0.9 23 1098 0.00216% 9173 8442 9450 1-0 4: 241 255 99 256 0.913 11.15 -0.6 88 93 83 93 256 9.1 15.617 -0.009 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1162 Fumaric acid 11.3585 1343.3 2.6 scans 90% TIC 1.2% 0.0541% 501 0.8 114 21347 0.760% 236766 210893 3325066 1-2 0.996 11.39 -2.0 87 86 88 87 245 57.3 25.243 -0.035 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4563 1349.1 3.6 scans 74% 57 m/z 2.1% 0.0346% 510 0.8 78 11979 0.0602% 151482 145768 263380 1-0 14: 57 97 145 115 127 55 56 69 59 129 109 83 71 128 0.993 11.45 0.6 86 82 93 96 145 21.9 7.953 0.010 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1160 Serine 11.5121 1352.5 2.5 scans 95% 204 m/z 0.12% 0.701% 516 0.8 413 209665 3071181 2967369 2-1 20: 204 73 218 147 205 100 219 278 133 206 75 74 189 59 220 116 306 132 148 114 0.992 11.56 -2.7 98 97 97 98 306 39.5 0.912 -0.045 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN BRA4_R~2-N1008 Thymine 11.5910 1357.3 3.1 scans 34% 255 m/z 19% 0.00134% 523 1.1 17 1319 5865 5865 0-0 1: 255 0.941 11.58 0.5 82 91 71 91 270 6.9 16.126 0.007 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1024 Threonine 11.9140 1376.7 2.5 scans 95% 73 m/z 0.53% 0.146% 554 1.0 192 49056 641311 609236 4-1 20: 73 218 219 291 117 292 147 101 220 74 100 57 293 75 203 133 128 132 59 129 0.997 11.92 -0.4 100 98 98 100 320 16.7 0.758 -0.007 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1148 Glutamine?? 13.2798 1461.6 2.8 scans 85% 155 m/z 2.2% 0.0245% 684 1.0 76 11813 0.0519% 107238 105328 227067 1-2 9: 155 73 147 156 139 229 74 59 100 0.996 13.35 -4.3 93 91 90 95 257 5.8 0.577 -0.067 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1026 Malic acid 13.5186 1476.7 2.5 scans 96% 73 m/z 0.15% 0.402% 706 1.0 319 166092 1758999 1714611 1-1 20: 73 147 233 245 133 75 148 189 190 74 55 175 149 191 335 101 59 234 265 72 0.985 13.53 -0.9 100 99 99 100 335 38.1 1.426 -0.014 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1144 Contamination Parabanica acid 13.7365 1490.4 2.8 scans 87% TIC 2.0% 0.0522% 727 0.9 111 12753 0.473% 228568 212034 2069416 0-3 0.985 13.81 -4.4 98 97 95 97 243 41.1 13.771 -0.070 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1028 Aspartic acid 14.0090 1508.0 2.5 scans 29% 232 m/z (73) 0.96% 0.0430% 753 1.0 105 27085 188297 180132 1-1 17: 232 233 100 218 202 234 188 216 117 101 142 204 132 334 235 102 134 0.918 14.02 -0.5 95 97 93 99 258 5.0 0.000 -0.008 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0142 1508.3 3.2 scans 77% 73 m/z (232) 0.48% 0.151% 753 1.2 170 53492 663738 627674 1-1 18: 73 147 75 74 133 59 72 148 149 55 131 70 174 98 60 99 76 87 0.983 14.03 -1.0 96 97 95 97 258 30.1 3.146 -0.016 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1140 Aspartic acid 14.0142 1508.3 3.2 scans 70% 73 m/z (156) 0.54% 0.139% 753 1.2 163 47737 610474 577305 1-1 18: 73 147 75 74 133 59 72 148 149 55 131 70 174 98 60 99 76 87 0.987 14.09 -4.8 94 95 94 96 349 7.7 0.224 -0.073 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0195 1508.7 2.8 scans 62% 156 m/z (232) 0.49% 0.100% 754 0.9 151 52041 439763 408120 1-1 20: 156 157 230 258 158 140 231 259 112 260 58 141 67 154 86 84 85 66 121 113 0.985 14.11 -6.0 96 98 97 98 273 7.0 0.213 -0.091 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1032 GABA 14.1773 1519.1 2.9 scans 92% TIC 0.54% 0.152% 769 1.3 185 48045 667351 629006 1-1 0.996 14.19 -0.7 99 98 97 98 304 53.1 8.233 -0.011 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6003 1547.2 2.7 scans 81% TIC 2.9% 0.0211% 809 1.3 71 8961 92320 90798 0-1 0.957 14.69 -6.0 85 85 75 87 409 3.8 0.289 -0.092 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3705 1598.2 2.7 scans 73% 217 m/z 2.0% 0.0211% 882 1.0 80 12908 0.0368% 92573 92573 161003 0-0 9: 217 73 218 219 129 103 189 133 148 0.945 15.44 -4.8 92 92 89 92 393 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1118 Phenylalanine 15.5904 1613.4 2.6 scans 76% 218 m/z (328) 2.8% 0.0272% 903 1.2 80 9229 119353 117807 0-2 7: 218 192 219 91 100 220 266 0.985 15.66 -4.8 92 94 91 95 294 6.3 0.610 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1038 Xylose 15.8829 1633.7 >3 scans 73% TIC 3.9% 0.0177% 931 0.9 63 6622 0.110% 77790 73438 481260 1-0 0.979 15.89 -0.5 92 91 86 97 307 15.8 6.354 -0.007 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1040 Xylose 15.9945 1641.5 2.6 scans 91% 73 m/z 1.0% 0.0732% 942 1.0 132 25967 0.136% 320432 310179 595012 0-1 20: 73 103 307 217 147 308 160 189 204 309 277 133 218 74 89 117 205 104 75 148 0.995 16.00 -0.6 97 96 96 98 307 35.3 7.137 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1042 Ribose 16.0934 1648.4 2.6 scans 89% 73 m/z 1.2% 0.0511% 951 1.0 115 20801 223988 219178 2-0 20: 73 103 307 217 147 277 308 160 189 309 133 74 89 117 129 205 219 104 105 59 0.993 16.10 -0.6 97 95 95 98 307 31.8 7.717 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2144 1656.8 3.1 scans 87% TIC 1.2% 0.0450% 963 2.0 90 20409 0.295% 197008 182679 1290651 1-0 0.994 16.28 -4.3 99 99 95 99 392 14.5 2.604 -0.062 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1108 Ribose 16.3080 1663.3 2.7 scans 96% 73 m/z 0.29% 0.285% 972 1.0 249 87417 1250803 1180525 8-0 20: 73 103 307 217 147 308 189 160 277 218 133 74 309 104 75 89 148 117 105 205 1.000 16.38 -4.6 94 91 94 98 467 6.0 0.058 -0.067 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6026 1683.7 2.6 scans 88% TIC 1.7% 0.0484% 999 1.4 106 15276 0.0844% 211887 192947 369257 1-0 0.996 16.68 -5.1 98 97 95 97 497 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9141 1705.6 2.9 scans 55% 217 m/z 6.6% 0.0158% 1029 1.3 61 3933 0.0579% 69489 69489 253318 0-0 10: 217 103 205 307 319 129 218 320 204 189 0.756 16.99 -5.5 87 89 66 88 422 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9867 1710.9 3.1 scans 84% 73 m/z 1.8% 0.0464% 1036 1.3 100 13840 0.159% 203406 202635 695639 0-1 20: 73 305 217 147 319 103 205 306 307 218 129 189 204 277 320 191 321 148 74 131 0.987 17.06 -5.6 92 91 89 91 510 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1096 Putrescine 17.1782 1724.9 2.6 scans 57% 174 m/z 2.9% 0.0107% 1054 1.1 51 8704 46834 45432 1-1 7: 174 175 214 86 172 176 130 1.000 17.25 -5.1 92 92 91 93 458 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3697 1738.9 3.5 scans 67% TIC 5.2% 0.0122% 1072 1.2 54 4933 0.173% 53625 53625 756890 0-0 0.935 17.44 -5.4 89 89 84 90 511 3.7 0.484 -0.073 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5549 1752.4 2.7 scans 91% 217 m/z 0.40% 0.142% 1090 1.0 188 64377 0.195% 625338 578247 853142 0-1 19: 217 73 218 147 219 450 74 133 75 257 189 129 232 451 191 148 169 305 149 0.997 17.63 -5.6 97 95 95 97 450 25.5 1.840 -0.077 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6864 1762.0 3.8 scans 83% 73 m/z 1.2% 0.0863% 1102 0.6 119 20148 0.143% 377884 377884 625637 0-0 20: 73 204 334 256 129 217 335 255 257 218 375 183 75 74 143 166 149 167 258 215 0.958 17.70 -0.9 91 90 89 93 375 11.6 0.944 -0.013 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1046 Shikimic acid 18.1199 1793.6 3.2 scans 83% TIC 0.97% 0.0926% 1144 0.9 134 26554 0.262% 405168 390465 1146273 2-0 0.949 18.13 -0.4 94 93 91 97 372 14.6 1.186 -0.005 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1048 Citric acid 18.2367 1802.3 3.1 scans 86% TIC 0.74% 0.130% 1155 1.2 161 34920 0.247% 571440 570649 1080646 0-1 0.978 18.24 -0.5 98 96 94 100 465 23.6 2.149 -0.007 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1082 Citric acid 18.2367 1802.3 2.6 scans 84% 273 m/z (204) 0.81% 0.111% 1155 1.0 159 31880 0.134% 486659 469498 586262 3-2 16: 273 147 375 363 347 274 465 211 149 364 348 257 305 466 183 221 0.995 18.32 -6.4 96 97 94 97 465 24.5 2.358 -0.084 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1076 Pregnane?? 18.7859 1844.2 3.0 scans 95% 345 m/z 0.016% 5.24% 1207 0.8 1051 1585234 22953749 20704008 1-1 20: 345 73 346 255 147 347 334 204 191 256 435 419 133 372 257 148 74 239 348 75 1.000 18.86 -5.5 100 99 99 100 537 82.8 0.624 -0.072 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1074 Adenine 18.8712 1850.7 3.3 scans 49% 264 m/z 2.7% 0.0147% 1215 1.4 53 9619 0.383% 64347 64347 1675658 0-0 6: 264 265 279 266 192 84 0.977 18.94 -5.2 93 93 83 93 415 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1050 Fructose 18.9953 1860.1 7.5 scans 88% 59 m/z 0.012% 15.5% 1227 0.4 1372 2028724 20.3% 68238354 66584413 88814265 1-0 20: 59 318 319 174 350 393 302 337 142 200 176 328 248 321 275 352 171 249 160 432 0.999 18.98 1.1 100 99 99 99 364 159.5 1.357 0.015 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1072 Fructose 19.0101 1861.3 7.6 scans 98% 147 m/z 0.011% 23.3% 1228 0.3 1450 2183296 102206002 101355535 1-0 20: 147 74 89 75 291 216 256 203 143 330 214 292 87 193 159 242 233 90 240 76 0.998 19.03 -1.7 100 98 99 100 364 167.1 1.333 -0.023 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1052 Fructose 19.1342 1870.7 5.4 scans 98% 73 m/z 0.013% 14.8% 1240 0.3 1362 1859333 65123870 64172761 1-1 20: 73 103 308 218 309 364 74 189 148 191 104 263 75 149 365 173 202 105 72 310 0.998 19.10 2.3 100 99 99 100 364 161.2 1.405 0.030 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1066 Glucose 19.1816 1874.3 >3 scans 17% 319 m/z 2.9% 0.00959% 1245 1.1 63 8906 6.17% 41979 41979 26994287 0-0 5: 319 160 320 321 157 0.988 19.40 -16.6 80 80 60 82 319 37.0 34.757 -0.217 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1056 Glucose 19.3383 1886.3 >4 scans 77% 365 m/z 0.013% 11.4% 1259 0.4 1307 1973892 16.8% 49924955 47236385 73501461 1-0 14: 365 376 247 331 467 309 554 332 271 179 310 112 154 351 1.000 19.33 0.5 100 98 99 99 364 93.6 0.516 0.006 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1064 Mannose 19.3604 1888.0 6.3 scans 96% TIC 0.010% 22.4% 1262 0.2 1592 2571416 98171604 97785407 1-0 0.999 19.45 -7.2 100 99 99 100 319 628.8 15.672 -0.095 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN BRA4_R~2-N1004 Galactose 19.3604 1888.0 6.2 scans 69% 319 m/z (321) 0.010% 16.1% 1262 0.2 1354 2503432 70751090 70465078 1-0 20: 319 73 205 147 160 320 217 103 206 229 117 133 157 204 189 129 74 148 161 207 0.888 19.36 -0.1 82 94 79 85 364 54.7 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1059 Glucose 19.5656 1903.8 2.9 scans 97% TIC 0.019% 5.94% 1281 0.5 1117 1355308 26004927 25998774 1-0 0.999 19.55 1.1 100 99 99 99 376 46.0 0.171 0.014 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7150 1915.8 2.7 scans 79% 319 m/z 2.2% 0.0335% 1295 1.1 95 11352 0.0910% 146845 144899 398133 0-1 10: 319 205 217 206 320 321 157 291 244 148 0.995 19.79 -6.1 87 87 84 88 434 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN N406_R~2-N1016 Galacturonic acid 19.7740 1920.6 2.6 scans 21% 333 m/z 7.1% 0.00487% 1301 1.0 35 3618 0.00717% 21321 19570 31369 1-0 4: 333 160 334 335 0.861 19.79 -1.5 90 92 87 92 423 3.9 1.190 -0.019 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7782 1920.9 >3 scans 53% TIC 4.1% 0.00681% 1301 1.1 57 6258 0.152% 29793 29793 665013 0-0 0.943 19.79 -1.3 83 83 73 83 333 24.0 18.053 -0.016 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2864 1961.8 3.1 scans 79% TIC 2.1% 0.0394% 1350 1.2 89 11944 0.0402% 172403 165654 175878 3-1 0.923 20.30 -0.7 91 92 87 91 433 10.2 1.299 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN WTF2-N1038 C16:0 21.1302 2030.9 2.8 scans 84% 313 m/z 3.5% 0.0319% 1430 1.3 83 7285 139598 129136 2-5 14: 313 117 75 129 314 132 145 55 57 69 118 131 328 315 0.980 20.62 42.6 87 93 89 94 328 9.0 1.158 0.513 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6627 2075.7 3.0 scans 98% 305 m/z 0.022% 6.79% 1480 0.5 1188 1159181 29742551 28946980 1-1 20: 305 217 73 318 147 191 306 319 265 204 432 307 218 433 320 367 133 129 291 148 0.999 21.75 -7.2 100 99 99 100 507 99.0 0.697 -0.086 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8457 2091.1 3.1 scans 94% 73 m/z 0.32% 0.327% 1498 0.9 257 80225 1431305 1310211 1-2 20: 73 319 205 147 320 217 103 262 321 206 117 74 89 204 133 148 157 129 291 263 0.998 21.93 -7.0 97 96 97 99 656 5.0 0.038 -0.084 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1032 trans-Caffeic acid 22.1761 2119.6 2.6 scans 93% TIC 0.95% 0.0950% 1529 1.3 157 27136 0.133% 415874 415874 581887 0-0 0.998 22.25 -6.4 93 92 90 94 396 55.2 12.426 -0.074 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6486 2160.8 3.0 scans 90% 204 m/z 1.3% 0.0527% 1574 1.2 106 18618 0.0848% 230930 201935 371007 5-0 17: 204 73 205 217 147 206 249 117 145 191 103 74 129 75 148 133 219 0.999 22.71 -5.7 96 95 95 98 518 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN WTF2-N1036 C18:0 23.3809 2225.9 3.2 scans 84% TIC 7.0% 0.0156% 1644 1.7 56 3702 0.0544% 68645 65767 238005 1-2 0.990 22.89 44.1 86 92 82 92 356 7.6 1.843 0.492 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN BRA4_R~2-N1006 Spermidine 23.4914 2236.0 2.7 scans 86% 144 m/z 5.6% 0.0222% 1654 1.1 74 4632 97269 97269 0-0 17: 144 174 116 160 156 86 172 175 100 170 142 201 128 59 145 186 115 0.991 23.51 -1.7 95 96 96 96 490 6.6 0.788 -0.018 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1048 2292.1 2.8 scans 89% 204 m/z 2.4% 0.0291% 1713 1.3 79 10639 127458 122037 0-3 14: 204 73 337 147 205 217 103 129 206 219 191 361 133 74 0.991 24.01 8.6 93 93 91 93 490 0.0 0.000 0.095 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6362 2342.3 3.2 scans 93% 73 m/z 1.0% 0.130% 1763 0.5 147 25335 571546 539810 3-2 20: 73 331 147 191 217 205 262 103 421 307 305 319 332 218 204 117 422 333 334 74 0.999 24.65 -1.3 97 97 96 97 466 7.7 0.270 -0.014 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5164 2527.2 2.9 scans 93% 512 m/z 1.0% 0.120% 1942 1.0 164 25247 525845 520715 0-1 20: 512 73 455 513 247 456 483 57 514 248 219 349 263 457 423 191 497 484 74 203 0.990 26.57 -5.9 100 99 96 99 512 58.4 12.680 -0.057 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1014 Sucrose 27.3708 2616.0 2.6 scans 95% 361 m/z 0.011% 6.59% 2023 0.6 1253 2307775 28871729 26053217 1-1 20: 361 73 362 217 437 363 147 271 103 169 451 129 218 319 438 243 191 364 439 219 1.000 27.49 -12.7 100 100 99 100 437 256.6 4.222 -0.119 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN LQC1-N1006 Trehalose 28.3525 2721.9 >4 scans 67% TIC 9.0% 0.00451% 2116 1.0 35 2889 0.0509% 19749 19749 222692 0-0 0.979 28.47 -13.0 88 88 74 88 565 0.0 0.000 -0.115 G:\GCMS data\Nicotiana Panel polar\P_N44_REP5.FIN GUA35_L1-N1020 Galactinol 30.6232 2981.6 3.6 scans 95% 204 m/z 1.0% 0.0839% 2332 1.3 124 25902 367357 366951 0-1 20: 204 73 217 205 191 129 206 305 433 230 103 361 265 218 149 319 189 192 148 434 0.999 30.55 9.2 82 80 92 83 641 0.0 0.000 0.078 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN EXBLK5S-N1006 Contamination 6.6215 1063.1 4.7 scans 60% TIC 1.3% 0.0451% 51 0.7 86 16569 0.291% 165768 165110 1068547 2-0 0.981 6.63 -0.2 97 96 88 97 295 26.1 9.144 -0.003 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1194 Alanine 7.4401 1111.6 15.2 scans 65% TIC 1.4% 0.101% 129 1.4 78 15370 0.206% 373212 373212 756429 0-0 0.971 7.40 2.1 95 94 93 96 283 0.0 0.000 0.036 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN A-KETO~2-N1006 Contamination?? 7.9862 1144.0 2.6 scans 85% 156 m/z 1.3% 0.0421% 181 1.2 90 16708 0.0642% 154811 148759 235741 4-2 12: 156 75 55 73 54 76 158 61 74 59 82 53 0.988 7.96 1.8 99 99 97 98 156 48.6 28.929 0.029 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1192 Contamination 8.0651 1148.7 2.5 scans 65% 73 m/z 3.7% 0.0178% 188 1.0 61 5952 0.0377% 65512 56823 138434 1-2 13: 73 147 133 235 220 146 72 86 59 148 160 89 103 0.886 7.99 4.5 93 93 87 94 235 12.0 3.916 0.076 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1188 Contamination 8.3787 1167.3 6.3 scans 64% 281 m/z 5.2% 0.0263% 218 2.3 46 4256 0.0271% 96855 84632 99511 2-4 5: 281 282 369 283 370 0.982 8.41 -2.1 95 96 80 96 369 14.0 9.466 -0.036 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1186 Phosphate 8.5975 1180.2 2.5 scans 58% 241 m/z 2.2% 0.0194% 239 1.1 61 9884 71276 69030 1-1 11: 241 242 211 243 133 163 256 169 195 135 89 0.840 8.56 2.2 94 94 81 96 299 0.0 0.000 0.037 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1184 Valine 9.2110 1216.4 5.2 scans 67% 144 m/z 2.8% 0.0285% 297 0.4 51 7759 104751 102577 5-0 3: 144 145 218 0.960 9.19 1.4 96 96 87 96 218 15.8 9.745 0.023 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1180 Benzoic acid 9.7718 1249.2 3.4 scans 51% 179 m/z 12% 0.00730% 350 0.6 31 1817 26826 26826 0-0 3: 179 135 105 0.833 9.76 0.7 84 82 75 95 194 4.6 2.158 0.013 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1178 Ethanolamine 10.0012 1262.6 5.1 scans 70% TIC 4.4% 0.0223% 372 0.7 50 5000 0.738% 82125 79591 2709924 1-0 0.950 10.03 -1.9 80 78 72 88 262 3.4 0.462 -0.033 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN VEN77_S6-N1002 Glycerol 10.0917 1267.9 2.6 scans 92% TIC 0.059% 0.878% 381 1.1 392 371647 3225160 3154101 0-2 0.981 10.09 -0.1 100 99 95 100 299 229.2 34.306 -0.002 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN A-AMYRIN-N1012 Contamination?? 10.2526 1277.3 2.7 scans 56% 198 m/z 5.9% 0.00658% 396 1.0 35 3766 24165 24165 1-0 2: 198 211 0.903 10.24 0.7 85 86 78 85 381 4.0 1.311 0.013 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1176 Isoleucine 10.4452 1288.6 3.2 scans 70% 158 m/z 2.7% 0.0243% 414 0.6 59 7973 0.0245% 89520 85459 89964 1-1 6: 158 218 159 144 232 219 0.967 10.46 -0.8 93 93 89 94 260 0.0 0.000 -0.014 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1174 Proline 10.5346 1293.8 2.9 scans 64% 142 m/z 1.8% 0.0192% 423 0.6 55 11881 0.0268% 70834 70834 98409 0-0 4: 142 143 216 144 0.928 10.55 -0.6 95 95 86 94 142 41.0 54.734 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1014 Maleic acid 10.6041 1297.9 2.7 scans 86% 147 m/z 0.43% 0.115% 429 1.4 146 50733 0.916% 423222 420542 3363537 1-0 20: 147 73 245 148 75 83 149 74 133 246 84 59 170 143 126 54 72 98 85 215 0.970 10.60 0.1 98 97 98 99 245 32.4 4.918 0.002 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1170 Glycine 10.6662 1301.6 >6 scans 55% TIC 2.0% 0.0219% 435 0.8 68 10786 0.763% 80647 80647 2801723 0-0 0.983 10.69 -1.2 91 91 86 92 276 10.1 2.206 -0.021 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7472 1306.5 2.5 scans 95% 147 m/z 0.051% 0.968% 443 1.0 427 433411 1.08% 3557295 3373879 3965742 1-2 20: 147 73 76 251 148 149 132 58 74 252 177 133 150 59 176 62 118 72 222 253 0.992 10.76 -0.6 99 97 96 99 251 96.9 5.168 -0.011 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1168 Glyceric acid 11.0313 1323.6 2.3 scans 98% 73 m/z 0.054% 1.33% 470 0.9 531 405919 4894333 4879646 2-0 20: 73 147 189 292 133 103 205 293 102 148 117 190 75 307 74 294 59 149 191 101 0.999 11.05 -1.3 100 99 99 100 292 157.0 8.760 -0.023 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0870 1326.9 2.5 scans 79% TIC 4.7% 0.0226% 475 0.9 67 4734 1.11% 83186 83186 4075902 0-0 0.987 11.06 1.4 95 94 92 98 285 18.9 7.990 0.024 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1018 Uracil 11.1481 1330.6 2.5 scans 52% 241 m/z 11% 0.00564% 481 1.1 34 2021 0.00575% 20725 20725 21114 0-0 4: 241 99 256 255 0.858 11.15 -0.0 92 93 91 97 256 11.6 11.563 0.000 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1162 Fumaric acid 11.3638 1343.6 2.6 scans 92% 245 m/z 0.50% 0.117% 502 1.0 147 44033 431572 413636 2-1 20: 245 147 73 246 75 83 143 148 133 149 84 74 155 115 53 61 59 76 54 157 0.994 11.39 -1.7 98 97 96 98 245 78.9 28.998 -0.029 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4616 1349.5 3.6 scans 77% 57 m/z (204) 1.6% 0.0467% 511 0.8 80 13795 0.0672% 171619 165349 246757 2-0 13: 57 145 97 115 55 127 56 69 111 129 109 83 128 0.994 11.45 1.0 91 90 96 98 145 22.0 7.648 0.016 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1160 Serine 11.5142 1352.6 2.5 scans 95% TIC 0.14% 0.585% 516 0.8 337 157270 0.616% 2151308 2041345 2261942 0-1 0.994 11.56 -2.6 99 98 97 98 306 32.6 0.937 -0.043 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1022 Thymine 11.5963 1357.6 3.1 scans 64% 255 m/z 3.7% 0.00998% 524 0.7 40 5881 36673 36673 1-0 3: 255 270 256 0.971 11.60 -0.2 97 97 86 97 270 14.5 13.251 -0.003 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1024 Threonine 11.9172 1376.9 2.5 scans 95% 73 m/z 0.33% 0.229% 554 1.1 213 65630 843282 811984 1-1 20: 73 219 218 117 291 292 147 101 220 128 100 75 74 57 203 133 132 293 202 320 1.000 11.92 -0.2 100 99 99 100 320 19.1 0.810 -0.004 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1148 Glutamine?? 13.2809 1461.7 2.7 scans 78% 155 m/z 1.8% 0.0384% 684 1.1 83 11854 0.0542% 141006 128513 199022 1-2 8: 155 156 139 229 74 59 157 100 0.915 13.35 -4.2 82 78 85 92 257 6.2 0.562 -0.066 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1146 Malic acid 13.5355 1477.7 2.3 scans 99% 73 m/z 0.030% 2.07% 708 0.7 655 721337 7632895 7614584 1-0 20: 73 147 233 245 133 75 189 148 190 175 191 149 55 101 74 335 265 59 234 217 1.000 13.62 -5.1 100 99 98 99 350 15.4 0.055 -0.082 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1144 Contamination Parabanica acid 13.7386 1490.5 2.7 scans 78% 100 m/z (73) 3.2% 0.0330% 727 1.1 76 6788 121387 116290 2-1 7: 100 243 115 128 244 201 70 0.995 13.81 -4.3 93 95 92 95 243 30.0 15.473 -0.067 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1142 Erythritol/Threitol 13.8270 1496.1 2.6 scans 90% 73 m/z 0.62% 0.132% 736 1.2 153 35396 485917 423311 1-8 20: 73 217 147 205 103 117 204 189 307 191 133 218 293 148 206 129 149 74 116 131 0.999 13.89 -4.0 96 93 96 99 320 12.1 0.632 -0.063 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN METHIO~1-N1066 Methionine 3TMS STD 13.9995 1507.3 2.6 scans 33% 176 m/z (156) 1.1% 0.0569% 752 1.0 106 19591 208951 208910 0-1 8: 176 128 177 250 293 178 160 251 0.583 14.06 -4.1 87 93 69 92 293 16.3 2.373 -0.060 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1140 Aspartic acid 14.0100 1508.0 2.5 scans 25% 232 m/z 0.64% 0.0732% 753 1.1 121 34499 268944 260319 1-2 13: 232 233 218 100 234 202 188 306 216 235 204 334 349 0.445 14.09 -5.1 94 97 54 95 349 8.0 0.443 -0.077 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0237 1508.9 3.9 scans 83% TIC 0.18% 0.455% 754 0.7 243 121457 1673100 1621925 1-1 0.892 14.03 -0.4 98 97 98 99 258 44.1 3.296 -0.006 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0279 1509.2 2.9 scans 91% 156 m/z 0.14% 0.374% 755 0.7 250 148763 1375610 1337988 1-1 19: 156 147 157 230 258 158 259 140 58 112 55 86 84 260 66 141 85 121 67 0.982 14.11 -5.5 99 98 96 99 273 10.2 0.168 -0.082 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1032 GABA 14.1773 1519.1 2.7 scans 92% TIC 0.53% 0.140% 769 1.3 160 41621 0.238% 515962 485356 873932 1-2 0.994 14.19 -0.7 99 99 97 99 304 47.3 8.758 -0.011 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1134 GABA 14.1773 1519.1 2.6 scans 92% 174 m/z 0.52% 0.139% 769 1.2 160 42010 0.186% 512341 473498 682989 1-7 20: 174 73 304 147 175 305 75 176 86 306 59 143 216 100 130 142 133 148 246 172 0.994 14.24 -4.3 99 98 97 98 304 47.4 8.770 -0.065 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3510 1530.6 2.8 scans 82% 73 m/z 1.4% 0.0645% 785 1.2 96 15474 0.281% 236945 202548 1031827 4-2 19: 73 292 147 220 293 205 221 217 117 294 148 133 103 291 130 149 74 102 219 0.991 14.62 -18.0 96 95 92 95 409 7.3 0.576 -0.270 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.5993 1547.1 2.5 scans 93% TIC 0.52% 0.122% 809 1.4 157 42245 450330 433390 0-1 0.998 14.69 -6.1 99 98 96 98 409 11.5 0.539 -0.093 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.0517 1577.1 2.6 scans 70% TIC 3.3% 0.0101% 852 1.6 45 6625 37099 35571 1-0 0.963 15.44 -25.9 80 85 76 85 393 0.0 0.000 -0.388 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1036 Glutamic acic 15.4937 1606.7 2.4 scans 65% 246 m/z 4.6% 0.00967% 894 1.0 46 4833 35529 35529 0-0 4: 246 128 247 248 0.921 15.50 -0.7 96 97 90 99 363 4.5 0.975 -0.009 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1118 Phenylalanine 15.5925 1613.6 2.7 scans 71% 218 m/z (267) 3.2% 0.0245% 903 1.2 66 6820 90025 88191 0-1 7: 218 192 219 100 91 220 266 0.955 15.66 -4.6 92 93 90 97 294 4.8 0.543 -0.066 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1038 Xylose 15.8798 1633.5 5.3 scans 60% TIC 4.7% 0.0149% 931 2.3 48 4711 0.168% 55000 55000 616893 0-0 0.930 15.89 -0.7 90 89 86 93 307 13.4 7.858 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1040 Xylose 15.9913 1641.3 2.6 scans 87% 73 m/z (244) 0.84% 0.100% 941 0.9 130 26495 0.160% 367639 367639 587517 0-0 20: 73 103 307 217 147 204 189 74 117 218 201 133 104 75 205 105 309 89 129 148 0.996 16.00 -0.8 96 96 97 99 307 31.6 5.916 -0.013 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2144 1656.8 2.8 scans 87% 290 m/z 1.0% 0.0577% 963 1.6 90 22232 0.0601% 212139 201579 220686 0-3 7: 290 291 392 292 144 117 131 0.968 16.28 -4.3 98 97 95 99 392 14.1 2.478 -0.062 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1042 Ribose 16.3059 1663.1 2.9 scans 78% 73 m/z 1.3% 0.0636% 971 0.6 96 16638 0.0775% 233559 196019 284579 1-7 18: 73 103 217 307 308 147 277 189 218 309 160 104 74 133 233 105 89 219 0.963 16.10 14.1 94 94 93 96 307 27.3 8.026 0.203 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6006 1683.6 2.5 scans 94% 73 m/z 0.52% 0.153% 999 1.4 173 42447 0.182% 565292 565292 668301 0-0 20: 73 307 319 147 217 103 308 320 205 129 321 306 309 243 117 218 74 133 189 277 0.997 16.68 -5.2 100 99 98 99 497 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9120 1705.5 2.7 scans 73% 73 m/z 2.9% 0.0217% 1029 1.1 69 7458 0.320% 79733 79733 1175035 0-0 12: 73 217 103 319 307 147 205 218 129 277 308 204 0.970 16.99 -5.6 92 92 86 92 422 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9846 1710.8 2.8 scans 86% 73 m/z 1.3% 0.0626% 1036 1.3 109 16734 0.421% 229926 220492 1545905 1-1 20: 73 217 147 319 205 103 307 218 204 320 189 129 206 306 317 148 243 149 133 131 0.993 17.06 -5.7 93 93 92 93 510 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1096 Putrescine 17.1761 1724.8 2.7 scans 58% 174 m/z (73) 1.1% 0.0323% 1054 1.1 77 18944 118647 114055 1-1 9: 174 175 214 176 86 172 200 100 361 0.916 17.25 -5.2 95 96 93 98 458 0.0 0.000 -0.072 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.5033 1748.6 2.9 scans 82% 73 m/z 1.0% 0.0595% 1085 1.2 113 20957 0.280% 218569 218569 1028155 0-0 20: 73 292 147 217 293 103 307 333 294 277 305 189 117 204 205 74 511 421 308 148 0.987 17.44 4.3 83 82 86 83 511 8.4 0.550 0.060 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5538 1752.3 2.7 scans 89% 217 m/z 0.32% 0.182% 1090 1.0 185 68207 0.302% 668725 586081 1108939 0-2 20: 217 73 218 147 450 219 232 305 191 257 451 74 133 75 148 129 220 452 204 143 0.996 17.63 -5.7 95 94 94 95 450 29.2 2.490 -0.078 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6843 1761.8 2.7 scans 53% 334 m/z (292) 1.3% 0.110% 1102 0.7 130 16637 0.120% 406219 344480 440638 2-5 16: 334 204 256 375 255 336 285 167 267 166 183 151 211 67 66 244 0.983 17.70 -1.1 89 91 88 91 375 18.4 2.006 -0.015 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1046 Shikimic acid 18.1126 1793.1 2.6 scans 54% 204 m/z (191) 1.1% 0.0616% 1143 0.9 104 20000 226257 211289 4-1 11: 204 205 206 357 255 254 447 358 462 267 167 0.974 18.13 -0.9 90 91 88 96 372 11.0 1.115 -0.012 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1082 Citric acid 18.2378 1802.3 2.4 scans 93% 273 m/z 0.22% 0.400% 1155 1.0 282 101107 0.463% 1470849 1367752 1700128 7-1 20: 273 73 147 375 347 363 274 465 75 275 149 348 211 376 305 221 74 148 364 466 0.996 18.32 -6.4 99 97 96 99 465 41.7 2.184 -0.083 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1076 Pregnane?? 18.7649 1842.6 2.6 scans 95% 345 m/z 0.095% 0.825% 1205 1.0 402 232247 3033010 2891995 2-1 20: 345 73 346 255 147 347 204 256 191 334 419 74 435 133 372 257 148 75 239 348 0.999 18.86 -7.1 100 99 98 99 537 30.1 0.563 -0.093 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1074 Adenine 18.8670 1850.3 3.0 scans 18% 264 m/z 4.6% 0.00848% 1215 1.2 36 4774 0.0439% 31156 31156 161200 0-0 5: 264 265 279 266 192 0.962 18.94 -5.6 92 93 81 94 415 0.0 0.000 -0.072 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1072 Fructose 18.9554 1857.1 2.9 scans 98% 73 m/z 0.018% 5.49% 1223 0.7 983 1213256 20194935 20006940 3-0 20: 73 307 217 103 147 308 218 277 133 309 364 74 205 189 117 219 104 89 148 75 1.000 19.03 -5.9 100 98 99 99 364 108.3 1.220 -0.078 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1052 Fructose 19.0774 1866.4 2.8 scans 97% 73 m/z 0.027% 4.09% 1235 0.5 799 804308 15025747 14796505 2-0 20: 73 307 217 103 147 308 218 277 364 309 205 133 74 262 89 117 219 148 189 104 1.000 19.10 -2.0 100 99 100 99 364 89.2 1.250 -0.027 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1064 Mannose 19.2900 1882.6 2.9 scans 98% 319 m/z 0.015% 7.47% 1255 0.6 1133 1400325 27462200 27462200 0-0 20: 319 73 205 147 160 320 217 321 103 206 117 133 229 129 74 157 189 148 204 161 1.000 19.45 -12.6 100 98 99 100 319 436.4 14.888 -0.165 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1059 Glucose 19.5193 1900.1 3.3 scans 94% TIC 0.066% 1.59% 1277 0.6 485 334077 5860822 5808481 1-1 0.989 19.55 -2.6 99 98 99 98 376 18.1 0.139 -0.033 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1060 Lysine 19.5941 1906.1 2.7 scans 39% 317 m/z 6.6% 0.0168% 1284 0.9 55 3328 0.0874% 61799 59228 320931 0-1 9: 317 174 156 128 230 318 100 175 86 0.760 19.69 -8.0 84 83 77 90 479 0.0 0.000 -0.099 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1061 Lysine 19.5951 1906.2 3.0 scans 66% TIC 2.9% 0.0259% 1284 1.0 72 7545 95245 95245 0-0 0.941 19.61 -1.4 86 82 78 97 434 7.0 0.955 -0.018 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1056 Ascorbic acid 19.8834 1929.4 2.7 scans 92% 73 m/z 0.37% 0.210% 1311 1.1 198 59728 0.363% 773563 761386 1332930 2-0 20: 73 332 147 333 117 205 334 374 345 74 359 449 361 149 375 206 303 331 75 304 0.976 19.99 -8.3 95 94 92 97 449 19.3 0.943 -0.103 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2769 1961.0 2.7 scans 93% 73 m/z 0.35% 0.246% 1349 1.0 210 62922 906856 877020 0-1 20: 73 217 147 394 103 307 395 333 218 205 74 305 433 277 308 189 393 148 407 133 0.974 20.30 -1.5 99 99 98 99 433 22.9 1.189 -0.019 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6658 2076.0 2.9 scans 97% 305 m/z 0.013% 10.6% 1481 0.5 1322 1590712 39255480 36536552 1-1 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 320 367 433 129 133 148 219 1.000 21.75 -6.9 100 100 100 100 507 106.1 0.647 -0.083 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8468 2091.2 3.0 scans 95% 73 m/z 0.12% 0.866% 1498 0.9 371 175515 3183170 2840423 3-3 20: 73 319 205 147 320 217 103 262 321 206 117 204 74 89 229 148 157 129 291 75 1.000 21.93 -6.9 96 93 96 99 656 8.0 0.047 -0.083 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1667 2118.7 2.5 scans 91% 396 m/z 0.60% 0.154% 1528 1.2 172 36892 565626 549441 0-4 20: 396 219 73 397 381 398 191 220 307 382 293 249 75 383 399 192 308 233 221 294 0.957 22.19 -1.8 99 98 95 99 396 72.2 17.698 -0.019 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6517 2161.1 3.1 scans 92% 204 m/z 0.54% 0.143% 1574 1.5 148 40709 0.283% 525410 506126 1039171 1-0 20: 204 73 205 147 145 217 361 117 206 75 362 191 74 131 218 129 103 363 219 189 0.989 22.71 -5.4 92 90 93 96 518 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN BRA4_R~4-N1012 Spermidine 22.8769 2180.8 3.4 scans 70% 174 m/z 12% 0.0118% 1596 1.8 40 1771 0.0135% 43539 41534 49572 1-0 5: 174 200 201 86 172 1.000 22.90 -2.0 93 93 93 99 418 6.2 2.430 -0.023 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN WTF2-N1036 C18:0 23.3778 2225.7 3.2 scans 84% 341 m/z 4.2% 0.0337% 1643 2.0 68 5266 0.0452% 123859 119777 165974 2-0 10: 341 117 132 129 145 342 55 57 356 343 0.989 22.89 43.9 87 93 86 92 356 8.8 1.702 0.489 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN BRA4_R~2-N1006 Spermidine 23.4893 2235.9 2.8 scans 83% 144 m/z 3.2% 0.0367% 1654 1.0 84 6849 0.0610% 135063 129794 223991 5-1 20: 144 174 73 116 160 156 172 86 170 142 175 100 59 145 130 157 115 186 201 154 0.984 23.51 -1.8 98 97 97 99 490 7.4 0.780 -0.020 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1080 2292.4 2.8 scans 65% 204 m/z 5.7% 0.0102% 1713 1.1 40 3858 37562 32096 0-2 2: 204 337 0.948 24.01 8.9 84 85 76 84 490 0.0 0.000 0.098 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6341 2342.1 3.1 scans 94% 73 m/z 0.26% 0.559% 1763 0.5 269 84751 2054580 1881164 2-2 20: 73 147 331 217 191 205 307 103 262 421 319 305 332 259 422 204 218 333 74 192 1.000 24.65 -1.5 99 97 98 100 466 15.9 0.348 -0.016 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4302 2518.3 2.7 scans 95% 73 m/z 0.64% 0.157% 1934 1.2 165 34552 0.237% 578180 546427 870260 2-2 20: 73 217 204 147 129 218 740 175 305 205 741 131 74 191 742 273 232 117 143 130 0.999 26.52 -9.3 97 96 95 97 740 23.9 2.096 -0.091 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5186 2527.4 2.9 scans 90% TIC 0.68% 0.186% 1942 1.4 175 32327 0.334% 684198 653298 1226443 0-3 0.988 26.57 -5.7 99 99 95 99 512 61.0 12.170 -0.054 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1020 Sucrose 27.3950 2618.6 11.1 scans 9.7% 437 m/z (361) 0.037% 4.13% 2025 1.9 457 586924 15172193 15170391 1-0 20: 437 451 438 319 439 452 453 440 321 260 234 248 373 307 304 377 76 455 263 468 0.805 27.46 -7.0 94 97 95 99 437 288.1 39.781 -0.066 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1010 Sucrose 27.3950 2618.6 11.1 scans 100% 437 m/z 0.0064% 42.0% 2025 1.9 1478 3429474 154526301 154507947 1-0 20: 437 451 438 319 439 452 453 440 321 260 234 248 373 307 304 377 76 455 263 468 0.998 27.58 -19.6 100 99 98 99 437 285.9 3.769 -0.184 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1008 Sucrose 27.4035 2619.5 10.8 scans 99% 361 m/z 0.0065% 43.2% 2026 1.4 1479 3406386 158661260 158339381 1-0 20: 361 362 364 320 332 345 203 221 450 454 435 258 247 150 139 322 119 294 213 136 0.999 27.59 -20.0 100 99 97 99 437 277.4 3.543 -0.188 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1018 Sucrose 27.4035 2619.5 10.8 scans 49% 361 m/z (73) 0.0064% 21.5% 2026 1.4 1041 3429474 79252655 79091874 1-0 20: 361 362 364 320 332 345 203 221 450 454 435 258 247 150 139 322 119 294 213 136 0.853 27.47 -7.0 91 95 56 93 437 288.1 7.710 -0.067 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1014 Sucrose 27.4087 2620.0 10.8 scans 93% 217 m/z 0.0064% 36.6% 2026 1.0 1434 3429474 41.5% 134483726 129323104 152387320 2-0 19: 217 191 272 149 257 130 157 259 241 273 306 293 333 348 163 178 323 278 381 1.000 27.49 -8.7 100 100 99 100 437 288.1 4.064 -0.081 G:\GCMS data\Nicotiana Panel polar\P_N444_REP5.FIN LQC1-N1016 Sucrose 27.4624 2625.8 10.7 scans 53% 73 m/z (259) 0.015% 4.79% 2032 1.9 1047 1452034 22.1% 17590866 17017999 81150838 0-1 20: 73 217 147 103 129 271 169 74 218 243 191 75 319 133 219 117 189 230 149 148 0.961 27.48 -1.5 84 83 93 93 437 15.7 0.000 -0.015 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN EXBLK5S-N1006 Contamination 6.2753 1042.6 >27 scans 50% TIC 5.9% 0.0207% 18 1.0 41 4577 147165 147165 0-0 0.882 6.63 -20.7 84 83 65 90 295 12.1 8.806 -0.350 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN A-KETO~2-N1006 Contamination?? 7.8651 1136.8 2.7 scans 71% TIC 5.5% 0.00647% 169 2.0 46 4885 0.0166% 45862 42605 117528 1-0 0.946 7.96 -5.4 95 95 89 98 156 24.7 28.563 -0.092 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1192 Contamination 7.9504 1141.9 2.7 scans 69% 147 m/z 6.6% 0.00957% 177 1.0 48 4091 0.0145% 67812 46138 102660 2-8 8: 147 73 133 152 220 59 235 72 0.954 7.99 -2.3 90 91 85 91 235 8.9 3.353 -0.039 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1188 Contamination 8.3228 1163.9 6.7 scans 82% 281 m/z 3.0% 0.0387% 213 1.3 65 8894 0.0404% 274555 274555 286032 0-0 6: 281 282 370 283 249 265 0.992 8.41 -5.5 98 98 84 99 369 19.2 8.585 -0.092 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1186 Phosphate 8.5186 1175.6 2.4 scans 76% 241 m/z 3.0% 0.00777% 231 1.4 52 8848 0.00790% 55042 52784 55932 1-0 7: 241 242 243 211 163 133 256 0.960 8.56 -2.4 95 95 86 96 299 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1184 Valine 9.1320 1211.8 4.2 scans 49% 144 m/z 13% 0.00265% 290 0.7 22 2075 18772 18772 0-0 2: 144 218 0.932 9.19 -3.2 88 91 74 90 218 7.8 12.509 -0.056 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1180 Benzoic acid 9.7065 1245.4 3.2 scans 42% 179 m/z 20% 0.00185% 344 1.1 22 1342 0.00190% 13148 12970 13452 1-0 4: 179 105 135 77 0.688 9.76 -3.1 87 91 78 91 194 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1178 Ethanolamine 9.9685 1260.7 5.0 scans 46% 174 m/z 7.3% 0.00516% 369 0.9 29 3717 0.00645% 36587 36587 45666 0-0 2: 174 175 0.656 10.03 -3.8 82 88 63 88 262 2.9 0.967 -0.066 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN VEN77_S6-N1002 Glycerol 10.0527 1265.6 2.5 scans 95% TIC 0.073% 0.421% 377 1.2 365 368374 2984842 2779741 1-2 0.989 10.09 -2.4 100 99 97 100 299 214.2 34.518 -0.041 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN A-AMYRIN-N1012 Contamination?? 10.2168 1275.2 2.8 scans 63% 198 m/z 9.1% 0.00374% 393 1.6 31 2980 26534 23217 1-2 2: 198 77 0.979 10.24 -1.4 83 84 78 84 381 0.0 0.000 -0.023 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1176 Isoleucine 10.4030 1286.1 3.0 scans 51% 158 m/z 11% 0.00212% 410 0.9 24 2448 15061 15061 1-0 2: 158 218 0.868 10.46 -3.3 88 90 74 89 260 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN TAB_REP6-N1014 Maleic acid 10.5788 1296.4 2.5 scans 97% 147 m/z 0.072% 0.418% 427 0.8 371 377287 2964797 2760793 2-3 20: 147 73 148 245 75 83 149 133 74 246 115 143 59 84 170 58 126 72 61 131 0.999 10.60 -1.4 98 97 98 99 245 81.2 4.816 -0.023 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1170 Glycine 10.6335 1299.6 3.3 scans 33% 174 m/z 5.9% 0.00391% 432 0.7 32 4541 0.00963% 27683 27683 68180 0-0 4: 174 248 175 86 1.000 10.69 -3.2 84 84 61 84 276 6.4 4.079 -0.054 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7155 1304.5 2.5 scans 97% TIC 0.055% 0.582% 440 1.2 421 488119 4126181 3945561 1-5 0.996 10.76 -2.6 99 97 96 99 251 95.5 5.153 -0.042 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1168 Glyceric acid 10.9965 1321.5 2.5 scans 94% 73 m/z 0.23% 0.216% 467 1.0 261 116093 1535101 1356251 2-3 20: 73 147 292 189 133 103 293 205 102 117 148 190 307 75 74 59 149 294 101 191 0.999 11.05 -3.4 100 99 99 99 292 75.4 8.346 -0.058 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0512 1324.8 >2 scans 74% TIC 6.8% 0.00837% 472 2.1 55 3984 0.178% 59281 59281 1260239 0-0 1.000 11.06 -0.7 96 97 90 97 285 17.0 9.650 -0.012 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1162 Fumaric acid 11.3448 1342.4 2.5 scans 98% 245 m/z 0.13% 0.254% 500 1.0 286 197229 1798468 1765569 0-2 20: 245 147 73 246 75 143 83 247 133 148 149 115 155 74 53 84 61 59 157 127 1.000 11.39 -2.9 100 99 98 99 245 156.7 30.015 -0.048 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4352 1347.9 3.2 scans 73% 57 m/z 3.0% 0.0115% 508 1.2 56 8769 0.0227% 81589 80587 160716 1-0 11: 57 145 97 127 115 55 69 111 56 109 129 0.958 11.45 -0.6 88 86 87 94 145 16.7 8.984 -0.011 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1160 Serine 11.4868 1351.0 2.6 scans 94% 204 m/z 0.64% 0.0829% 513 1.4 162 42083 587153 563649 1-2 19: 204 73 218 205 147 100 219 278 206 75 133 74 116 306 220 132 189 103 203 0.999 11.56 -4.2 99 98 97 98 306 15.9 0.966 -0.070 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1154 Threonine 11.8982 1375.8 2.7 scans 84% 73 m/z 3.4% 0.0151% 552 1.6 65 7975 0.0169% 107288 95454 119652 6-5 11: 73 218 219 117 291 203 292 100 101 57 147 0.977 11.96 -3.7 96 95 91 96 320 5.5 0.732 -0.062 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1148 Glutamine?? 13.2871 1462.1 2.6 scans 55% 155 m/z (247) 5.4% 0.00474% 684 1.1 38 4993 0.00636% 33595 33595 45029 0-0 2: 155 229 0.964 13.35 -3.8 85 87 82 90 257 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1146 Malic acid 13.5891 1481.1 5.8 scans 99% 73 m/z 0.010% 9.76% 713 0.2 1219 2522628 69141003 69126585 1-0 20: 73 147 148 75 74 149 101 55 59 117 235 72 192 134 337 176 135 129 132 71 0.998 13.62 -1.7 100 100 100 100 350 34.2 0.079 -0.028 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN TAB_REP6-N1028 Aspartic acid 14.0131 1508.2 2.6 scans 38% 232 m/z 2.3% 0.0102% 753 1.3 57 11764 72696 72696 0-1 8: 232 100 233 218 188 234 202 216 0.949 14.02 -0.3 90 91 83 91 258 2.8 0.000 -0.004 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0394 1510.0 2.9 scans 91% 156 m/z (232) 0.43% 0.0879% 756 0.7 157 62568 622575 617653 0-1 17: 156 73 147 157 230 258 158 74 259 140 72 112 231 86 58 55 85 0.980 14.03 0.7 94 93 96 99 258 29.7 3.578 0.009 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0394 1510.0 3.2 scans 88% TIC 0.45% 0.0945% 756 0.6 154 59538 669631 634181 1-1 0.985 14.11 -4.7 98 96 95 98 273 6.5 0.178 -0.071 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1134 GABA 14.1783 1519.2 2.7 scans 45% 174 m/z 2.2% 0.0139% 769 1.7 64 11981 98451 97029 0-2 8: 174 304 175 86 176 216 100 172 0.806 14.24 -4.2 83 83 57 87 304 24.5 14.707 -0.064 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN TAB_REP6-N1032 GABA 14.1804 1519.3 >3 scans 81% TIC 2.2% 0.0266% 769 1.2 85 11885 0.0827% 188761 178154 585515 1-0 0.992 14.19 -0.5 92 92 91 92 304 24.1 7.958 -0.008 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.5992 1547.1 2.6 scans 85% 73 m/z 2.0% 0.0187% 809 1.3 80 13216 132895 130510 0-1 14: 73 292 147 220 205 293 117 294 103 74 148 221 102 133 0.973 14.62 -1.5 95 95 92 94 409 5.5 0.481 -0.022 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3705 1598.2 2.7 scans 77% 217 m/z 1.1% 0.0190% 882 1.1 90 23745 0.0446% 134631 134631 315768 0-0 14: 217 73 218 219 147 191 103 129 230 215 189 75 133 74 0.991 15.44 -4.8 94 92 90 95 393 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN TAB_REP6-N1036 Glutamic acic 15.4915 1606.6 3.6 scans 59% TIC 9.2% 0.00317% 894 0.5 31 2941 0.0399% 22450 18642 282492 0-1 0.917 15.50 -0.8 95 97 90 97 363 2.9 0.000 -0.012 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1118 Phenylalanine 15.5925 1613.6 2.8 scans 69% 218 m/z (267) 7.1% 0.00795% 903 1.1 47 3779 0.00805% 56308 52774 56994 1-0 5: 218 192 204 91 219 0.945 15.66 -4.6 91 93 87 95 294 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN TAB_REP6-N1038 Xylose 15.8808 1633.6 5.4 scans 79% 217 m/z 2.6% 0.0210% 931 1.2 74 10363 0.0281% 148707 146391 198948 1-0 10: 217 73 103 307 147 189 218 308 74 219 0.980 15.89 -0.6 91 89 85 98 307 17.8 5.746 -0.009 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN TAB_REP6-N1040 Xylose 15.9965 1641.6 2.6 scans 92% 73 m/z 0.67% 0.0706% 942 1.1 150 40465 0.0954% 500488 462887 675431 1-3 20: 73 103 217 307 147 308 160 189 218 133 277 74 204 309 89 205 104 75 105 129 0.996 16.00 -0.5 96 94 96 99 307 40.6 7.281 -0.007 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN TAB_REP6-N1042 Ribose 16.0933 1648.4 2.7 scans 84% TIC 1.9% 0.0212% 951 0.8 83 13791 0.0843% 150465 139395 596843 0-1 0.989 16.10 -0.6 96 96 94 97 307 23.6 8.129 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2175 1657.0 3.0 scans 82% TIC 2.1% 0.0142% 963 1.6 63 12813 0.0374% 101113 89140 264792 5-0 0.987 16.28 -4.1 98 97 91 98 392 9.8 2.451 -0.059 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6057 1683.9 3.3 scans 75% TIC 4.1% 0.0118% 1000 1.4 62 6541 0.0384% 84232 84232 271872 0-0 0.980 16.68 -4.9 95 95 87 95 497 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9151 1705.7 2.7 scans 94% 73 m/z 0.37% 0.145% 1029 1.2 217 72584 0.213% 1029246 1015090 1508039 1-0 20: 73 217 147 103 205 319 307 218 129 204 74 308 189 320 133 148 243 206 277 318 0.999 16.99 -5.4 97 96 95 97 422 8.9 0.169 -0.074 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9887 1711.1 3.2 scans 88% TIC 0.98% 0.0707% 1036 1.4 134 27610 0.224% 501212 479209 1585919 0-1 0.988 17.06 -5.4 93 92 92 92 510 5.0 0.136 -0.073 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1098 UNKp_Cas 17.1min 1723 17.0898 1718.4 2.8 scans 77% 73 m/z 2.5% 0.0141% 1046 1.3 66 10620 0.135% 100528 96023 955799 1-1 13: 73 392 89 302 163 393 276 59 147 172 394 75 133 0.975 17.16 -5.0 80 75 39 92 436 4.3 0.430 -0.068 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN TAB_REP6-N1044 Putrescine 17.1771 1724.8 2.8 scans 56% 174 m/z (73) 2.2% 0.0126% 1054 1.1 62 12221 89394 89231 1-0 10: 174 175 214 176 172 86 200 100 361 130 0.958 17.19 -0.8 90 91 89 97 376 4.6 0.554 -0.011 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1096 Putrescine 17.1771 1724.8 2.8 scans 47% 174 m/z 2.2% 0.0105% 1054 1.1 57 12213 74502 74366 1-0 10: 174 175 214 176 172 86 200 100 361 130 0.981 17.25 -5.2 96 96 93 97 458 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5548 1752.4 2.7 scans 94% 217 m/z 0.21% 0.179% 1090 1.1 237 126491 0.218% 1269688 1191843 1543439 4-1 20: 217 73 218 147 219 75 74 450 189 133 129 230 103 215 244 130 232 149 148 131 0.997 17.63 -5.6 95 93 94 96 450 23.9 1.014 -0.077 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6916 1762.4 2.7 scans 72% 334 m/z (217) 0.46% 0.142% 1103 0.9 206 57954 1006906 939019 2-3 14: 334 204 256 335 255 375 336 167 166 285 211 151 206 267 0.992 17.70 -0.5 93 95 95 95 375 23.8 1.334 -0.007 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1086 Fructofuranose 18.0578 1789.1 2.9 scans 92% 73 m/z 0.17% 0.307% 1138 1.2 296 156187 0.645% 2177246 2112958 4566596 1-0 20: 73 217 437 147 438 218 219 257 439 74 103 133 129 75 191 230 148 215 303 149 0.991 18.13 -5.5 95 93 93 97 437 83.3 7.931 -0.076 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1082 Citric acid 18.2398 1802.5 2.9 scans 88% TIC 0.30% 0.199% 1155 1.0 240 88925 0.719% 1414586 1315054 5090515 0-1 0.968 18.32 -6.2 97 96 92 99 465 34.8 2.110 -0.081 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5870 1829.0 5.2 scans 86% 73 m/z 0.92% 0.0995% 1188 0.9 134 29422 0.605% 704691 695233 4283396 4-0 17: 73 217 147 191 319 218 219 192 129 189 74 320 103 305 75 321 193 0.984 18.67 -6.3 90 89 90 92 319 24.0 3.204 -0.082 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1076 Pregnane?? 18.7775 1843.5 3.5 scans 97% 345 m/z 0.059% 1.21% 1206 1.2 531 455710 8584118 8378504 1-1 20: 345 73 346 255 147 347 204 334 191 256 419 435 133 372 74 148 257 239 75 348 1.000 18.86 -6.2 100 99 99 100 537 39.2 0.545 -0.081 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1072 Fructose 18.9848 1859.3 7.3 scans 96% 73 m/z 0.014% 9.33% 1226 0.7 1217 1881323 11.8% 66091707 64655554 83543923 1-0 20: 73 307 217 103 147 308 277 218 309 133 364 205 219 74 117 104 148 191 204 173 1.000 19.03 -3.7 100 98 99 99 364 143.1 1.387 -0.048 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1070 Fructose 19.1405 1871.2 6.4 scans 87% 73 m/z (146) 0.019% 7.91% 1241 0.3 1080 1382700 18.7% 56042929 55463480 132395878 1-1 20: 73 307 217 103 147 308 218 277 309 364 74 205 133 89 262 189 219 117 104 148 0.991 19.19 -4.1 93 94 95 95 554 39.5 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN TAB_REP6-N1052 Fructose 19.1405 1871.2 6.4 scans 97% 73 m/z 0.016% 8.74% 1241 0.3 1144 1652784 20.7% 61890084 61250179 146555865 1-1 20: 73 307 217 103 147 308 218 277 309 364 74 205 133 89 262 189 219 117 104 148 1.000 19.10 2.8 100 99 100 100 364 134.5 1.388 0.036 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1068 Galactopyranose 19.2373 1878.6 >4 scans 73% 204 m/z 0.18% 0.244% 1250 1.2 259 146337 18.0% 1731314 1731314 127439883 0-0 18: 204 73 191 147 217 205 192 206 193 129 218 435 133 189 203 305 75 219 0.997 19.32 -5.9 98 97 95 98 435 18.9 0.533 -0.078 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN TAB_REP6-N1056 Glucose 19.3635 1888.2 >7 scans 79% 319 m/z 0.011% 12.9% 1262 0.3 1260 2369148 14.9% 91411953 86993519 105491903 1-0 13: 319 320 71 317 467 264 367 68 554 56 405 368 419 1.000 19.33 2.4 100 99 98 99 364 90.9 0.522 0.032 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1066 Glucose 19.3635 1888.2 >7 scans 50% 319 m/z (73) 0.011% 8.59% 1262 0.3 1007 2344949 9.97% 60840238 57899501 70587535 1-0 13: 319 320 71 317 467 264 367 68 554 56 405 368 419 0.931 19.40 -2.7 86 88 70 90 319 540.5 28.903 -0.035 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1064 Mannose 19.3730 1888.9 8.4 scans 100% 73 m/z 0.010% 18.7% 1263 0.2 1437 2556914 18.9% 132448553 130173480 133811877 1-2 20: 73 103 117 74 148 161 75 89 149 105 59 130 104 158 101 162 365 100 102 134 0.998 19.45 -6.3 100 99 98 100 319 564.4 15.470 -0.082 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN TAB_REP6-N1059 Glucose 19.5814 1905.1 3.4 scans 96% 319 m/z (317) 0.016% 5.23% 1283 0.4 1103 1641339 37086245 36089300 1-1 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 74 129 157 204 148 189 89 1.000 19.55 2.4 98 99 99 100 376 45.8 0.173 0.029 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1062 Glucose 19.5814 1905.1 3.5 scans 96% TIC 0.017% 5.36% 1283 0.3 1106 1563023 37957586 37088742 1-1 0.998 19.66 -6.0 100 99 99 99 319 430.6 15.210 -0.075 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7202 1916.3 3.1 scans 55% TIC 5.2% 0.00678% 1296 1.0 55 5215 0.0614% 48021 48021 434712 0-0 0.912 19.79 -5.6 81 83 75 82 434 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2895 1962.0 2.3 scans 97% 204 m/z 0.072% 0.560% 1350 0.9 452 376775 3968477 3950572 1-0 20: 204 73 191 147 205 217 206 192 129 74 189 133 218 103 75 148 193 117 203 305 1.000 20.41 -10.0 99 98 98 99 217 94.9 4.420 -0.125 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN WTF2-N1038 C16:0 21.1334 2031.2 2.8 scans 88% 313 m/z 2.1% 0.0330% 1430 1.1 100 12688 234264 210248 4-4 20: 313 117 73 75 129 132 314 145 55 57 315 131 328 69 118 56 95 201 74 285 0.988 20.62 42.9 91 96 93 96 328 10.7 1.144 0.516 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6784 2077.0 3.7 scans 98% 305 m/z 0.015% 7.44% 1482 0.5 1322 1791014 52675248 52583471 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 367 129 133 291 192 1.000 21.75 -5.9 100 100 100 100 507 105.8 0.642 -0.071 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8499 2091.4 3.0 scans 96% 319 m/z 0.23% 0.283% 1498 1.1 283 114629 2008401 1966239 0-2 20: 319 73 205 147 320 103 217 321 262 206 117 74 204 133 229 157 89 148 263 129 0.998 21.93 -6.7 97 95 97 99 656 6.2 0.048 -0.080 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1834 2120.2 2.5 scans 94% 396 m/z 0.25% 0.244% 1530 1.1 287 106577 0.259% 1730974 1597330 1833718 1-0 20: 396 219 73 397 381 398 191 319 307 220 382 249 147 293 75 205 74 320 103 383 0.998 22.19 -0.3 96 93 91 100 396 115.2 16.123 -0.003 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6559 2161.5 3.4 scans 85% 204 m/z 2.4% 0.0202% 1575 1.2 69 11045 0.0372% 143600 126657 263376 10-0 10: 204 73 361 205 206 145 147 217 249 117 0.975 22.71 -5.0 94 94 93 95 518 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN WTF2-N1036 C18:0 23.3777 2225.7 2.9 scans 86% 341 m/z 4.0% 0.0193% 1643 1.9 74 6719 0.0214% 137271 135429 151512 0-4 13: 341 117 75 132 342 55 129 145 343 57 356 69 131 0.988 22.89 43.9 88 94 89 94 356 9.9 1.791 0.489 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6372 2342.4 3.1 scans 93% 73 m/z 0.71% 0.113% 1763 0.6 162 37828 0.150% 805841 792973 1061999 1-1 20: 73 147 331 191 217 262 421 307 103 319 205 422 305 333 332 259 376 192 74 423 0.999 24.65 -1.2 99 98 98 98 466 9.4 0.340 -0.013 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7298 2351.2 2.6 scans 92% 73 m/z 1.2% 0.0539% 1772 1.0 131 22266 0.137% 381616 347993 969959 2-3 20: 73 217 204 147 375 292 305 103 219 218 205 451 376 133 129 233 293 74 363 206 0.998 24.81 -7.2 95 94 94 94 451 15.2 1.340 -0.075 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5174 2527.3 2.8 scans 90% TIC 1.4% 0.0562% 1942 1.1 129 19165 0.147% 398205 374344 1040759 0-1 0.995 26.57 -5.8 99 98 94 98 512 46.2 12.913 -0.056 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1020 Sucrose 27.3939 2618.5 8.7 scans 9.9% 437 m/z (361) 0.045% 1.76% 2025 1.5 431 597014 12496329 12492414 1-0 16: 437 451 438 439 452 453 440 274 441 304 422 164 187 482 455 323 0.813 27.46 -7.1 94 97 94 98 437 272.7 40.177 -0.067 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1018 Sucrose 27.3981 2618.9 8.7 scans 50% 361 m/z (73) 0.0080% 9.31% 2025 1.3 976 3385891 65920243 65651774 1-0 15: 361 331 452 320 130 305 332 321 345 464 177 304 442 455 167 0.863 27.47 -7.6 91 94 57 93 437 272.7 7.863 -0.072 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1010 Sucrose 27.3981 2618.9 8.7 scans 100% 361 m/z 0.0080% 18.2% 2025 1.3 1373 3377300 128916283 128391254 1-0 15: 361 331 452 320 130 305 332 321 345 464 177 304 442 455 167 0.997 27.58 -19.3 100 99 98 99 437 262.9 3.692 -0.181 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1016 Sucrose 27.4413 2623.5 8.4 scans 47% 73 m/z (204) 0.014% 8.38% 2030 0.2 953 1871652 59401102 57781487 1-1 20: 73 217 147 103 271 169 129 243 218 74 191 319 75 133 219 117 189 272 148 149 0.968 27.48 -3.8 86 90 92 92 437 15.5 0.000 -0.036 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1008 Sucrose 27.4413 2623.5 8.4 scans 99% 73 m/z 0.0085% 17.0% 2030 0.2 1373 3163155 120893102 117596863 1-1 20: 73 217 147 103 271 169 129 243 218 74 191 319 75 133 219 117 189 272 148 149 1.000 27.59 -16.0 100 99 97 99 437 248.9 3.306 -0.150 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN LQC1-N1006 Trehalose 28.3619 2722.9 2.9 scans 69% 361 m/z 4.0% 0.0108% 2117 0.9 57 6635 0.0413% 77052 76680 292404 0-1 5: 361 362 191 271 363 0.954 28.47 -12.0 91 91 84 93 565 0.0 0.000 -0.106 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN GUA35_L1-N1020 Galactinol 30.5937 2978.1 2.6 scans 94% TIC 0.52% 0.0877% 2329 1.6 162 51615 621327 592619 1-1 0.997 30.55 5.7 81 79 92 84 641 0.0 0.000 0.049 G:\GCMS data\Nicotiana Panel polar\P_N476_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6311 3101.3 3.8 scans 76% 204 m/z 2.1% 0.0279% 2428 1.2 80 12791 0.152% 198055 198055 1076159 0-0 16: 204 217 205 597 361 103 129 337 206 598 599 218 271 362 243 203 0.975 31.68 -5.3 93 93 88 93 597 15.6 3.759 -0.044 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN EXBLK5S-N1006 Contamination 6.3826 1048.9 3.8 scans 45% 207 m/z 3.4% 0.0113% 28 1.5 46 6548 0.0113% 108455 78766 108135 5-3 5: 207 295 208 209 191 0.948 6.63 -14.4 94 94 84 95 295 15.6 11.672 -0.242 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1194 Alanine 7.4537 1112.4 14.9 scans 64% TIC 0.94% 0.0579% 130 1.2 87 23922 0.121% 554942 554942 1157902 0-0 0.923 7.40 2.9 95 95 93 96 283 0.0 0.000 0.050 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN A-KETO~2-N1006 Contamination?? 7.9966 1144.6 3.2 scans 63% 156 m/z 5.6% 0.00444% 181 1.6 39 3977 0.00793% 42540 40960 75886 1-3 4: 156 75 55 157 0.938 7.96 2.4 95 96 88 97 156 21.2 29.713 0.040 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1192 Contamination 8.0755 1149.3 2.7 scans 61% 73 m/z 5.3% 0.00475% 189 1.1 45 4207 0.00809% 45455 41646 77417 3-2 5: 73 147 220 133 235 0.914 7.99 5.1 93 94 85 94 235 9.2 4.149 0.087 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1188 Contamination 8.3817 1167.4 4.9 scans 88% 281 m/z 0.92% 0.0594% 218 2.2 105 24455 568758 480934 7-6 18: 281 73 369 147 265 283 249 371 370 148 207 250 266 191 149 193 205 372 0.992 8.41 -2.0 99 97 83 99 369 29.7 7.948 -0.033 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1186 Phosphate 8.6111 1181.0 2.7 scans 88% TIC 0.39% 0.0464% 240 1.6 131 56972 444744 429706 1-1 0.979 8.56 3.0 100 99 97 99 299 0.0 0.000 0.050 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1184 Valine 9.2193 1216.9 5.7 scans 81% 144 m/z 1.2% 0.0295% 298 0.3 76 18320 0.0331% 282378 264517 316748 2-5 9: 144 73 218 145 147 146 219 100 128 0.987 9.19 1.9 98 97 94 98 218 22.5 8.864 0.031 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1180 Benzoic acid 9.7801 1249.7 3.3 scans 56% 179 m/z 11% 0.00312% 351 0.6 29 1926 0.00358% 29946 29497 34259 2-0 4: 179 105 135 77 0.925 9.76 1.2 80 77 70 93 194 3.3 1.282 0.021 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1178 Ethanolamine 10.0053 1262.9 5.4 scans 72% 174 m/z 1.4% 0.0302% 373 1.0 77 15392 0.876% 289827 274457 8382826 2-0 11: 174 73 175 147 189 201 262 176 86 100 132 0.973 10.03 -1.6 92 90 89 93 262 6.9 0.813 -0.029 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN VEN77_S6-N1002 Glycerol 10.1557 1271.7 5.5 scans 97% 301 m/z 0.0049% 6.92% 387 0.2 1155 4578188 66260210 65807046 1-0 20: 301 316 302 285 303 317 148 149 87 286 222 223 122 254 268 60 164 146 76 90 1.000 10.09 3.7 99 98 95 99 299 718.2 38.957 0.062 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN A-AMYRIN-N1012 Contamination?? 10.2673 1278.2 3.1 scans 61% TIC 3.8% 0.00444% 397 0.7 40 5823 4.47% 42570 42570 42775381 0-0 0.931 10.24 1.6 87 86 80 88 381 4.5 1.276 0.027 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1176 Isoleucine 10.4724 1290.2 3.3 scans 11% 158 m/z 1.9% 0.00803% 417 0.7 45 11766 0.0215% 76899 63929 205743 3-0 6: 158 159 218 232 219 160 0.980 10.46 0.8 85 86 62 86 260 4.2 0.905 0.013 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN TAB_REP6-N1012 Proline 10.5661 1295.7 2.9 scans 96% 142 m/z 0.0097% 1.90% 426 0.3 742 2306835 1.99% 18227046 17091443 19043179 4-0 20: 142 73 143 216 147 144 72 75 59 74 141 217 66 133 100 148 244 218 58 131 0.996 10.53 1.9 99 98 98 100 216 139.2 3.536 0.033 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN TAB_REP6-N1014 Maleic acid 10.6219 1298.9 3.1 scans 85% 147 m/z 0.15% 0.116% 431 1.1 215 144868 1.84% 1118859 1118859 17607763 0-0 20: 147 73 245 148 75 83 149 74 133 246 143 84 126 170 215 247 53 59 58 54 0.996 10.60 1.1 98 97 98 99 245 48.9 5.145 0.020 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1170 Glycine 10.6776 1302.3 >4 scans 62% 174 m/z 1.0% 0.0204% 436 1.0 85 21621 0.686% 196164 196164 6564633 0-0 11: 174 248 175 73 86 249 276 176 59 133 100 0.984 10.69 -0.5 93 92 87 92 276 13.5 2.496 -0.009 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7744 1308.1 3.0 scans 94% 147 m/z 0.018% 1.23% 446 0.5 629 1248390 11856018 10572273 1-2 20: 147 73 251 76 148 149 132 58 252 74 133 177 176 150 75 59 131 57 175 118 0.995 10.76 1.0 99 97 96 99 251 150.5 5.750 0.016 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1168 Glyceric acid 11.0343 1323.7 2.6 scans 96% 73 m/z 0.12% 0.253% 470 0.9 314 181479 2424833 2275804 2-1 20: 73 147 189 292 133 103 205 293 102 117 148 75 190 307 294 74 59 149 191 101 0.999 11.05 -1.2 100 99 99 100 292 91.2 8.450 -0.020 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.1048 1328.0 2.6 scans 62% TIC 10% 0.00262% 477 0.8 38 2131 0.179% 25075 25075 1712929 0-0 0.946 11.06 2.5 93 95 82 94 285 12.2 10.445 0.042 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN TAB_REP6-N1018 Uracil 11.1553 1331.0 2.6 scans 43% TIC 19% 0.000949% 482 2.3 25 1152 0.00755% 9080 9080 72249 0-0 0.909 11.15 0.4 92 95 94 98 256 8.4 11.497 0.007 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1164 Itaconic acid 11.2332 1335.7 2.8 scans 81% 147 m/z 1.9% 0.0119% 489 1.0 68 11626 114527 114330 1-0 8: 147 73 259 148 215 97 149 67 0.954 11.25 -1.2 81 75 83 94 259 11.8 2.978 -0.019 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1162 Fumaric acid 11.3731 1344.1 2.8 scans 93% TIC 0.25% 0.113% 502 0.9 199 87355 1086007 1036066 2-1 0.987 11.39 -1.2 92 91 92 93 245 99.2 24.874 -0.020 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4689 1349.9 >4 scans 76% TIC 1.7% 0.0151% 512 0.9 70 13107 0.394% 144806 144806 3770358 0-0 0.988 11.45 1.4 94 92 97 98 145 19.4 7.665 0.023 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1160 Serine 11.5246 1353.3 2.4 scans 97% 204 m/z 0.084% 0.356% 517 0.8 384 268224 3410012 3305215 1-1 20: 204 73 218 147 205 100 188 219 278 206 75 133 74 306 220 59 116 189 132 279 0.999 11.56 -1.9 99 98 98 99 306 37.8 0.972 -0.032 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN TAB_REP6-N1024 Threonine 11.9276 1377.5 2.5 scans 96% 73 m/z 0.098% 0.326% 555 0.9 362 229817 3126653 2965821 1-1 20: 73 218 219 117 291 147 292 101 220 75 57 74 100 128 293 133 203 221 132 129 0.997 11.92 0.4 100 99 99 100 320 32.2 0.795 0.007 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN N406_R~1-N1016 b-Alanine 12.6084 1419.4 2.5 scans 40% 174 m/z 15% 0.00175% 620 0.9 27 1484 16770 16770 0-0 2: 174 248 0.775 12.60 0.4 84 89 71 92 304 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1148 Glutamine?? 13.3355 1465.1 2.9 scans 92% 155 m/z 0.20% 0.123% 689 0.5 195 109285 1182771 1052187 2-5 20: 155 73 147 156 229 139 75 59 74 100 157 148 257 84 56 131 103 98 58 230 0.993 13.35 -0.8 99 98 98 99 257 15.3 0.616 -0.012 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1146 Malic acid 13.6059 1482.2 4.9 scans 98% 73 m/z 0.0084% 6.56% 715 0.2 1192 2655796 62838487 61161237 1-1 20: 73 147 233 245 133 189 190 148 75 175 191 335 74 234 149 101 55 217 265 307 1.000 13.62 -0.6 100 100 100 100 350 32.7 0.075 -0.011 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1144 Contamination Parabanica acid 13.8089 1495.0 4.7 scans 95% TIC 0.12% 0.571% 734 0.4 359 174047 0.619% 5470065 4920639 5923481 2-5 0.999 13.81 0.2 100 99 99 99 243 135.0 14.117 0.003 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1140 Aspartic acid 14.0436 1510.3 >3 scans 81% TIC 0.050% 0.644% 756 1.3 473 446028 1.92% 6164368 5965385 18373318 1-0 0.998 14.09 -2.8 100 98 98 99 349 23.5 0.248 -0.043 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0909 1513.4 3.5 scans 91% 156 m/z 0.021% 1.18% 761 0.4 560 1062623 11298617 11101706 1-1 14: 156 147 230 157 258 158 58 259 72 231 148 140 155 121 0.983 14.11 -1.3 99 99 97 99 273 24.3 0.189 -0.019 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN TAB_REP6-N1032 GABA 14.2056 1521.0 2.5 scans 91% 174 m/z 0.048% 0.539% 772 0.8 462 467468 1.22% 5162674 5133820 11674712 1-0 20: 174 304 73 147 175 305 75 86 176 59 100 216 246 306 143 133 172 148 130 74 0.968 14.19 1.2 100 99 99 99 304 140.8 9.319 0.018 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3624 1531.4 2.6 scans 93% TIC 0.28% 0.118% 787 0.9 198 80063 1135313 999174 4-1 0.998 14.62 -17.2 99 98 97 98 409 14.9 0.565 -0.259 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6476 1550.3 3.0 scans 98% 292 m/z 0.011% 3.64% 814 0.4 1106 1883188 34887867 33923635 1-1 20: 292 73 147 220 205 293 217 117 294 221 103 319 148 291 133 206 74 245 149 102 0.999 14.69 -2.9 100 100 100 100 409 90.1 0.665 -0.044 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1126 Pyrazine 15.0811 1579.0 2.5 scans 95% TIC 0.19% 0.188% 855 0.9 279 116955 1805048 1805048 0-0 0.998 15.13 -3.4 99 98 98 99 344 82.6 8.736 -0.051 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1120 Glutamic acid 15.5051 1607.5 2.9 scans 81% TIC 0.84% 0.0325% 895 1.2 111 26565 311411 296579 1-1 0.967 15.56 -3.8 98 98 94 97 363 10.3 0.863 -0.055 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1118 Phenylalanine 15.6061 1614.5 2.7 scans 38% 218 m/z (328) 1.6% 0.0202% 905 1.1 86 13363 193770 193702 0-1 5: 218 192 219 91 266 0.893 15.66 -3.7 86 89 80 95 294 6.3 0.541 -0.053 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN TAB_REP6-N1042 Ribose 16.0954 1648.5 2.8 scans 69% 73 m/z 2.3% 0.0105% 951 0.9 67 9512 0.131% 100887 99820 1253596 2-0 8: 73 103 307 217 147 160 308 277 0.977 16.10 -0.5 94 94 91 95 307 19.3 8.409 -0.008 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1112 Asparagine?? 16.2090 1656.4 2.7 scans 88% 73 m/z 0.20% 0.157% 962 1.0 253 109231 0.209% 1507556 1458078 2000012 1-1 20: 73 116 231 132 188 75 147 100 74 232 141 218 131 202 133 117 159 258 215 59 0.950 16.26 -3.6 95 93 96 97 348 20.3 0.643 -0.053 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2195 1657.1 2.5 scans 12% 290 m/z 0.68% 0.0207% 963 1.9 85 32995 198940 194563 0-5 6: 290 291 292 158 392 393 0.183 16.28 -4.0 90 93 56 98 392 15.4 3.282 -0.056 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1108 Ribose 16.3100 1663.4 2.8 scans 85% TIC 0.59% 0.0589% 972 0.6 137 37864 0.259% 563976 563976 2478484 0-0 0.969 16.38 -4.5 95 95 94 97 467 4.1 0.090 -0.065 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6067 1684.0 3.0 scans 82% TIC 0.86% 0.0425% 1000 2.0 123 26072 0.0750% 407482 406468 717708 1-0 0.983 16.68 -4.8 97 96 95 98 497 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1104 Rhamnose 16.8666 1702.2 2.7 scans 64% 117 m/z 1.8% 0.0143% 1025 1.0 74 12176 0.0331% 137101 122905 316748 1-0 7: 117 160 277 118 161 321 219 0.946 16.93 -4.7 81 81 83 85 392 6.4 0.749 -0.065 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9161 1705.8 2.6 scans 66% 217 m/z (230) 1.3% 0.0256% 1029 1.3 99 16416 0.0666% 245269 245269 637324 0-0 11: 217 205 307 103 319 218 308 204 320 206 309 0.956 16.99 -5.3 91 92 90 95 422 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9887 1711.1 2.9 scans 86% TIC 0.65% 0.0513% 1036 1.4 138 34527 0.684% 491834 489780 6545495 0-1 0.991 17.06 -5.4 93 92 93 92 510 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3748 1739.3 2.9 scans 83% TIC 0.68% 0.0456% 1073 1.3 133 32739 436887 417739 1-0 0.970 17.44 -5.0 98 98 97 98 511 9.9 0.552 -0.068 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN WTF2-N1010 Glycerol-P 17.4790 1746.9 >3 scans 56% TIC 1.8% 0.00959% 1083 1.4 95 12421 0.213% 91858 91858 2038290 0-0 0.971 16.97 37.4 89 93 82 94 445 17.3 3.323 0.511 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5642 1753.1 2.9 scans 90% TIC 0.15% 0.177% 1091 0.8 253 148827 0.955% 1702706 1597660 9138812 0-1 0.987 17.63 -4.9 95 94 94 97 450 38.5 2.303 -0.068 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1088 Glutamine?? 17.6526 1759.5 2.7 scans 93% TIC 0.11% 0.357% 1099 1.1 360 190491 0.955% 3423882 3189453 9138812 2-0 0.996 17.73 -5.4 92 89 92 98 511 10.4 0.084 -0.073 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6884 1762.1 >3 scans 64% TIC 1.0% 0.0272% 1103 2.2 127 21765 0.673% 261143 261143 6440231 0-0 0.981 17.70 -0.8 96 96 92 96 375 14.9 1.381 -0.011 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1086 Fructofuranose 18.0609 1789.3 >3 scans 85% TIC 0.33% 0.0815% 1138 1.0 178 66600 1.06% 780455 739143 10143603 1-0 0.991 18.13 -5.3 96 95 94 95 437 49.7 7.813 -0.073 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN TAB_REP6-N1046 Shikimic acid 18.1240 1793.9 2.5 scans 61% 204 m/z (333) 0.47% 0.0495% 1144 0.9 129 47203 0.0809% 474382 389051 774167 5-4 18: 204 205 357 255 206 372 254 447 462 358 267 282 283 373 195 256 359 239 0.979 18.13 -0.1 88 88 86 94 372 16.8 1.691 -0.001 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1084 Shikimic acid 18.1240 1793.9 2.5 scans 39% 204 m/z 0.48% 0.0310% 1144 0.9 105 46467 0.0507% 297331 243848 485170 5-4 18: 204 205 357 255 206 372 254 447 462 358 267 282 283 373 195 256 359 239 0.958 18.20 -5.3 93 93 92 95 462 10.7 1.042 -0.073 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1082 Citric acid 18.2545 1803.6 2.7 scans 94% TIC 0.054% 0.852% 1156 0.9 543 414996 8153915 7295069 1-5 0.994 18.32 -5.1 98 96 97 99 465 82.7 2.323 -0.067 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1076 Pregnane?? 18.7816 1843.8 2.7 scans 95% 345 m/z 0.023% 1.39% 1207 0.7 715 974476 13391435 12396031 1-1 20: 345 73 346 255 147 347 334 191 204 256 435 419 372 133 257 74 148 239 75 537 1.000 18.86 -5.9 100 100 99 100 537 56.3 0.622 -0.076 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1074 Adenine 18.8700 1850.6 2.8 scans 39% 264 m/z 1.1% 0.0135% 1215 1.2 69 20376 0.0435% 129236 117894 416270 1-0 7: 264 279 265 266 192 280 165 0.950 18.94 -5.3 94 93 87 96 415 5.0 0.526 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1072 Fructose 18.9731 1858.4 3.3 scans 98% 73 m/z 0.013% 3.76% 1225 0.5 1072 1705431 36062052 35921113 3-0 20: 73 307 217 103 147 308 218 277 309 133 364 205 189 74 219 117 104 191 89 148 1.000 19.03 -4.6 100 99 99 100 364 123.1 1.324 -0.060 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN TAB_REP6-N1052 Fructose 19.0941 1867.7 3.2 scans 96% 73 m/z 0.017% 2.74% 1236 0.5 931 1265204 26309147 25335034 2-1 20: 73 307 217 103 147 308 218 277 309 364 205 74 262 133 117 219 89 189 104 148 1.000 19.10 -0.7 100 99 100 100 364 108.2 1.355 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1068 Galactopyranose 19.2204 1877.3 2.9 scans 27% 204 m/z 0.48% 0.0251% 1248 1.1 98 46553 0.178% 240516 237864 1703360 2-0 7: 204 191 192 435 203 193 361 0.568 19.32 -7.2 88 92 59 89 435 10.5 1.151 -0.095 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1064 Mannose 19.3025 1883.6 3.2 scans 97% 319 m/z 0.013% 3.77% 1256 0.5 1106 1681029 36145052 36126382 1-0 20: 319 73 205 147 160 320 217 321 103 206 117 229 133 157 74 129 161 189 148 204 0.991 19.45 -11.6 100 99 99 100 319 435.2 15.540 -0.153 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1062 Glucose 19.5297 1900.9 3.4 scans 92% TIC 0.057% 0.764% 1278 0.5 473 392462 0.838% 7318255 7039527 8019188 1-1 0.984 19.66 -10.2 98 97 96 98 319 160.1 11.473 -0.126 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN TAB_REP6-N1061 Lysine 19.6002 1906.6 2.6 scans 80% 174 m/z 0.69% 0.0592% 1284 1.1 150 32687 0.115% 567030 567030 1100485 0-0 17: 174 317 156 128 318 230 175 100 86 200 59 130 434 115 176 228 88 0.976 19.61 -1.0 87 81 81 99 434 15.0 0.994 -0.013 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7002 1914.6 2.8 scans 76% TIC 1.0% 0.0292% 1294 1.0 114 21035 0.166% 280283 264774 1588526 1-0 0.976 19.79 -7.3 90 88 86 91 434 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN N406_R~2-N1016 Galacturonic acid 19.7591 1919.4 2.9 scans 15% 333 m/z 8.1% 0.00230% 1299 2.2 26 2778 0.00392% 22022 22022 37512 0-0 3: 333 160 334 0.902 19.79 -2.7 83 87 75 89 423 3.0 0.000 -0.034 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN GLAU_R~4-N1011 UNKp_Ntb Sugar 20.3min 1963 20.2842 1961.6 3.0 scans 87% 73 m/z 0.087% 0.417% 1349 1.0 383 257843 3997710 3962994 1-0 20: 73 217 147 218 74 148 189 117 133 305 221 219 75 435 129 149 131 72 319 207 0.913 20.30 -1.1 99 98 97 98 433 41.3 1.167 -0.014 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2842 1961.6 3.0 scans 67% 73 m/z (394) 0.084% 0.330% 1349 1.0 337 267241 3165122 3137636 1-0 20: 73 217 147 218 74 148 189 117 133 305 221 219 75 435 129 149 131 72 319 207 0.964 20.41 -10.4 84 86 83 88 217 87.9 6.788 -0.130 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1054 Gluconic acid 3 20.4504 1975.0 2.7 scans 90% 73 m/z 0.25% 0.132% 1365 1.2 235 87497 0.201% 1266944 1266944 1923457 0-0 20: 73 333 147 292 319 205 334 217 305 103 293 74 320 117 335 359 435 148 423 433 0.995 20.55 -7.9 98 97 97 99 613 6.6 0.080 -0.099 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1052 Gluconic acid 2 20.5020 1979.1 3.0 scans 80% 73 m/z 0.56% 0.0638% 1370 1.3 151 39571 0.280% 611112 536079 2679442 0-6 20: 73 292 147 319 217 205 333 293 305 277 103 294 359 433 320 435 189 307 321 117 0.924 20.60 -7.6 91 90 91 93 613 0.0 0.000 -0.095 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN WTF2-N1038 C16:0 21.1249 2030.5 2.8 scans 86% TIC 1.0% 0.0426% 1429 1.0 124 20834 0.0452% 408285 387875 432539 0-1 0.980 20.62 42.2 92 97 95 97 328 13.0 1.092 0.508 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN INOSIT~1-N1022 myo-Inositol 21.7046 2079.2 9.0 scans 8.5% 432 m/z (73) 0.087% 1.34% 1484 0.7 403 256545 12895712 12894644 1-0 9: 432 434 393 302 406 379 380 235 179 0.447 21.74 -3.1 83 95 62 94 507 105.0 6.781 -0.036 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.7046 2079.2 9.0 scans 100% 432 m/z 0.010% 15.8% 1484 0.7 1389 2182782 151269699 151257170 1-0 9: 432 434 393 302 406 379 380 235 179 0.998 21.75 -3.7 100 100 99 100 507 101.6 0.537 -0.044 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1042 myo-Inositol 21.7383 2082.0 8.5 scans 63% 73 m/z (205) 0.010% 2.59% 1488 2.1 1149 2220587 9.96% 24803895 24803895 95311587 0-0 20: 73 217 305 147 318 191 306 204 319 265 218 307 129 133 320 74 148 192 219 367 1.000 21.77 -3.1 83 81 65 91 318 375.6 10.728 -0.036 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8583 2092.1 3.5 scans 69% 319 m/z (245) 0.76% 0.0524% 1499 1.1 131 29418 2.94% 502175 495704 28134143 4-0 14: 319 205 321 320 103 262 117 206 89 291 157 263 376 207 0.969 21.93 -6.0 93 95 93 96 656 0.0 0.000 -0.072 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1813 2120.0 2.6 scans 91% 396 m/z 0.22% 0.158% 1530 1.0 248 98076 0.160% 1516165 1476300 1531110 1-3 19: 396 219 73 397 381 398 220 191 307 382 249 293 75 308 399 74 383 233 192 0.983 22.19 -0.5 98 97 94 98 396 105.1 17.972 -0.005 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6453 2160.6 2.8 scans 91% TIC 0.22% 0.114% 1574 1.1 209 100245 0.246% 1093806 1031464 2354081 1-0 0.996 22.71 -5.9 92 88 92 99 518 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN WTF2-N1036 C18:0 23.3808 2225.9 2.8 scans 83% TIC 1.1% 0.0364% 1644 1.2 120 18908 0.112% 348857 340540 1071777 1-1 0.979 22.89 44.1 92 98 95 97 356 15.7 1.731 0.492 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1047 2292.1 >3 scans 50% TIC 4.6% 0.00203% 1712 1.6 42 4884 0.0667% 19422 19422 638281 0-0 0.928 24.01 8.6 81 80 75 86 490 0.0 0.000 0.095 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6371 2342.4 3.0 scans 90% TIC 0.13% 0.427% 1763 0.5 342 172487 4086416 3666825 2-1 0.978 24.65 -1.2 96 93 95 99 466 20.6 0.364 -0.013 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7297 2351.2 2.6 scans 93% 73 m/z 0.22% 0.190% 1772 1.0 272 100605 1825527 1732468 0-3 20: 73 204 217 147 375 292 103 305 205 218 219 451 293 129 363 376 74 75 191 148 0.995 24.81 -7.2 98 97 97 97 451 30.6 1.270 -0.075 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3480 2509.8 2.6 scans 95% 204 m/z 0.039% 0.757% 1926 1.0 530 567147 1.50% 7245888 6919146 14354155 1-1 20: 204 73 147 495 205 217 206 496 117 363 129 273 103 74 143 497 130 75 191 131 0.998 26.35 -0.2 100 99 99 99 495 100.3 3.592 -0.002 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5195 2527.5 2.8 scans 23% 512 m/z 0.57% 0.0618% 1942 1.1 152 39001 592087 560628 1-1 19: 512 455 513 247 456 483 514 57 457 248 497 484 263 349 409 423 515 353 179 0.833 26.57 -5.6 93 93 58 94 512 66.3 19.125 -0.054 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1020 Sucrose 27.3991 2619.0 12.4 scans 11% 437 m/z (361) 0.038% 1.88% 2026 1.7 441 591865 2.03% 18009918 17476589 19425956 1-0 14: 437 438 439 331 320 453 347 293 441 294 274 481 443 466 0.665 27.46 -6.6 94 95 86 99 437 258.2 34.377 -0.062 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN TAB_REP6-N1070 Sucrose 27.4033 2619.5 12.4 scans 80% 361 m/z (437) 0.0077% 14.0% 2026 1.6 1187 2913314 15.2% 134159437 130568047 145455434 1-0 20: 361 362 363 319 364 331 320 305 321 440 306 233 333 347 260 464 187 322 434 127 0.999 27.41 -0.6 88 85 78 98 451 12.9 0.000 -0.007 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1014 Sucrose 27.4033 2619.5 12.4 scans 88% 361 m/z 0.0067% 14.9% 2026 1.6 1241 3348111 16.3% 143374138 139536074 155981814 1-0 20: 361 362 363 319 364 331 320 305 321 440 306 233 333 347 260 464 187 322 434 127 0.996 27.49 -9.2 100 100 99 100 437 258.1 4.365 -0.087 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1010 Sucrose 27.4149 2620.7 12.2 scans 100% 218 m/z 0.0065% 18.7% 2027 1.3 1327 3420021 179318397 178960026 1-0 20: 218 243 189 245 131 273 230 104 244 215 157 149 170 332 231 220 232 143 221 259 0.997 27.58 -17.5 100 99 98 99 437 251.5 3.619 -0.164 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1016 Sucrose 27.4191 2621.1 12.2 scans 49% 217 m/z (361) 0.014% 9.29% 2027 1.2 927 1608644 88981840 88710390 1-0 18: 217 219 245 131 104 215 257 149 231 345 207 171 269 181 113 193 109 379 0.956 27.48 -6.2 85 89 92 92 437 15.9 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1008 Sucrose 27.4381 2623.2 11.3 scans 100% 103 m/z 0.0069% 13.2% 2029 0.5 1300 3265771 15.3% 126443173 122952113 146412378 1-0 17: 103 204 307 423 205 308 424 425 306 309 192 116 426 101 277 161 166 0.999 27.59 -16.3 100 99 98 99 437 244.6 3.566 -0.153 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN LQC1-N1018 Sucrose 27.4844 2628.1 >2 scans 70% 361 m/z 0.0072% 1.70% 2034 1.4 986 3112413 11.4% 16314300 15468843 109091576 0-1 20: 361 362 437 363 451 319 438 331 364 439 452 320 345 321 453 305 257 291 332 365 0.999 27.47 1.6 98 97 84 97 437 230.6 5.523 0.014 G:\GCMS data\Nicotiana Panel polar\P_N479_REP5.FIN GUA35_L1-N1020 Galactinol 30.1422 2924.5 2.6 scans 92% 204 m/z 0.095% 0.296% 2286 1.0 329 235378 0.374% 2837992 2555166 3578969 0-4 20: 204 73 217 205 147 191 206 305 361 129 218 433 103 192 343 318 306 230 74 362 0.994 30.55 -47.9 88 92 94 99 641 24.7 0.563 -0.403 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN EXBLK5S-N1006 Contamination 6.6024 1062.0 4.7 scans 37% 207 m/z 2.5% 0.0191% 49 1.2 51 7801 0.0750% 81783 73447 319847 3-0 6: 207 295 208 296 209 191 0.972 6.63 -1.3 95 95 86 95 295 16.2 10.193 -0.023 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN A-KETO~2-N1006 Contamination?? 7.9629 1142.6 2.8 scans 78% 156 m/z 2.8% 0.0184% 178 1.1 57 7119 0.0246% 78624 70502 104910 3-10 6: 156 75 55 157 54 76 0.985 7.96 0.4 98 98 94 98 156 30.2 27.831 0.006 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1192 Contamination 8.0450 1147.5 2.6 scans 64% 147 m/z 4.8% 0.00989% 186 1.3 47 4148 0.0173% 42191 40905 73778 2-0 7: 147 73 133 220 235 148 146 0.897 7.99 3.3 91 92 83 91 235 9.2 3.830 0.056 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1188 Contamination 8.3701 1166.8 4.6 scans 89% TIC 1.0% 0.107% 217 1.9 101 20016 460466 369663 6-3 0.992 8.41 -2.6 99 98 84 99 369 28.6 7.943 -0.045 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1186 Phosphate 8.5827 1179.4 2.4 scans 76% 241 m/z 1.2% 0.0276% 237 1.2 77 15791 117940 109879 1-1 10: 241 242 211 243 163 256 133 195 135 107 0.954 8.56 1.4 97 96 88 98 299 0.0 0.000 0.022 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1184 Valine 9.1992 1215.7 5.3 scans 68% 144 m/z 2.5% 0.0241% 296 0.4 50 7825 0.0294% 102957 90747 125380 5-5 5: 144 73 218 145 219 0.953 9.19 0.7 96 96 88 96 218 15.8 10.139 0.011 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1180 Benzoic acid 9.7611 1248.6 3.3 scans 59% 179 m/z 3.7% 0.0182% 349 0.7 48 5327 77732 64608 11-8 6: 179 105 135 77 180 136 1.000 9.76 0.1 96 96 89 97 194 7.4 2.344 0.002 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1178 Ethanolamine 9.9926 1262.1 4.7 scans 76% TIC 3.1% 0.0251% 371 1.2 53 6402 5.05% 107074 88613 21536338 2-0 0.977 10.03 -2.4 84 81 77 90 262 4.1 0.616 -0.041 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN VEN77_S6-N1002 Glycerol 10.1189 1269.5 3.8 scans 97% 299 m/z 0.0076% 6.38% 383 0.3 937 2624152 27221683 26650166 1-1 20: 299 300 73 301 283 133 315 207 193 191 316 302 135 225 74 284 181 115 75 137 0.997 10.09 1.5 100 98 95 99 299 579.0 38.428 0.025 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN A-AMYRIN-N1012 Contamination?? 10.2525 1277.3 2.8 scans 65% 73 m/z 3.8% 0.00844% 396 1.0 40 5196 36033 30953 1-3 4: 73 198 211 77 0.921 10.24 0.7 88 89 80 90 381 3.6 0.818 0.012 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1176 Isoleucine 10.4419 1288.4 3.2 scans 75% 158 m/z 1.1% 0.0465% 414 0.6 84 18062 0.0537% 198623 191611 229010 3-0 7: 158 218 159 232 160 100 128 0.984 10.46 -1.0 95 93 92 97 260 6.0 0.498 -0.017 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1003 Isoleucine 10.4419 1288.4 3.6 scans 78% TIC 1.1% 0.0615% 414 0.7 86 18134 0.248% 262597 191979 1057626 3-0 0.947 10.45 -0.2 96 95 92 98 232 13.2 2.346 -0.003 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1012 Proline 10.5292 1293.5 3.2 scans 91% 142 m/z 0.18% 0.195% 422 0.7 179 110804 1.99% 831912 826850 8486597 1-0 19: 142 73 143 216 144 147 72 59 74 66 100 217 244 170 218 140 70 133 68 0.996 10.53 -0.3 100 99 99 100 216 33.0 3.405 -0.004 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1014 Maleic acid 10.6071 1298.1 2.8 scans 94% TIC 0.14% 0.284% 430 1.2 229 142832 3.19% 1214245 1214245 13604142 0-0 0.987 10.60 0.3 99 98 98 99 245 50.3 4.811 0.005 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7597 1307.2 3.0 scans 97% 147 m/z 0.016% 2.59% 444 0.7 656 1189869 11077574 10683297 1-1 20: 147 73 76 251 148 149 58 132 74 133 252 177 150 176 75 59 118 62 253 72 0.995 10.76 0.1 99 97 96 99 251 153.7 5.515 0.002 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1168 Glyceric acid 11.0217 1323.0 2.4 scans 96% 73 m/z 0.15% 0.358% 469 0.9 279 127975 1529677 1463889 1-1 20: 73 147 292 189 133 103 205 293 102 117 148 307 190 75 74 59 294 149 101 191 0.999 11.05 -1.9 100 99 99 99 292 81.4 8.508 -0.032 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0879 1327.0 2.6 scans 73% 184 m/z 5.6% 0.0126% 475 1.0 51 3536 0.116% 54072 50156 494696 0-1 9: 184 134 285 174 73 86 77 100 286 0.975 11.06 1.5 94 93 86 96 285 15.3 9.003 0.025 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1018 Uracil 11.1427 1330.3 2.8 scans 47% 241 m/z 15% 0.00308% 481 1.0 24 1298 13167 13167 0-0 4: 241 255 256 99 0.931 11.15 -0.3 93 95 93 97 256 8.9 13.433 -0.005 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1164 Itaconic acid 11.2205 1334.9 2.6 scans 83% 147 m/z 1.3% 0.0304% 488 1.0 78 14539 129785 117837 6-1 13: 147 73 259 148 75 215 149 97 141 67 83 68 74 0.970 11.25 -2.0 91 89 90 94 259 15.3 3.805 -0.031 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1162 Fumaric acid 11.3615 1343.4 2.6 scans 96% 245 m/z 0.23% 0.195% 501 1.0 195 84254 834063 821635 2-0 20: 245 147 73 246 75 143 83 247 133 148 53 149 155 84 115 74 240 61 59 54 0.996 11.39 -1.9 100 99 98 99 245 103.7 28.366 -0.031 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4583 1349.3 3.6 scans 77% 57 m/z 1.5% 0.0366% 511 1.0 72 13221 0.0646% 156246 146669 275495 2-0 16: 57 145 97 115 127 55 56 69 129 111 128 59 109 83 131 71 0.988 11.45 0.8 93 92 94 96 145 21.0 8.502 0.012 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1160 Serine 11.5078 1352.2 2.6 scans 90% 204 m/z 0.33% 0.199% 515 1.2 194 59323 849614 784316 3-2 18: 204 73 218 205 219 278 206 74 220 116 306 132 103 149 174 148 101 72 0.948 11.56 -3.0 98 97 94 98 306 18.4 0.898 -0.049 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN BRA4_R~2-N1008 Thymine 11.5920 1357.3 2.6 scans 38% 255 m/z 13% 0.00144% 523 1.0 17 1498 6179 6179 0-0 1: 255 0.927 11.58 0.5 84 92 71 92 270 7.0 17.119 0.008 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1024 Threonine 11.9160 1376.8 2.6 scans 94% 73 m/z 0.39% 0.158% 554 1.1 179 50421 678066 614254 1-9 20: 73 218 219 117 291 292 147 101 220 57 74 100 75 293 203 128 202 132 133 221 0.997 11.92 -0.3 100 99 98 100 320 15.5 0.753 -0.005 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2734 1461.2 2.6 scans 92% TIC 0.62% 0.0891% 683 1.5 134 32137 0.150% 380304 369871 639693 0-2 0.996 13.31 -2.1 99 98 97 99 349 14.6 1.195 -0.033 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1146 Malic acid 13.5953 1481.5 4.7 scans 98% 73 m/z 0.0078% 13.9% 714 0.2 1250 2565949 59308289 59184902 1-0 20: 73 147 233 245 133 189 190 335 191 175 148 75 265 234 217 101 149 74 55 307 0.999 13.62 -1.3 100 100 100 100 350 33.9 0.074 -0.022 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1142 Erythritol/Threitol 13.7090 1488.7 2.6 scans 78% 73 m/z 1.2% 0.0461% 724 1.1 100 16749 8.77% 196756 196756 37400730 0-0 20: 73 217 147 205 103 307 117 204 189 191 218 133 206 74 293 116 148 129 219 308 0.946 13.89 -11.4 96 96 94 97 320 6.6 0.439 -0.181 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1144 Contamination Parabanica acid 13.7721 1492.6 4.0 scans 28% 115 m/z 16% 0.00422% 730 0.9 26 1213 0.00833% 18004 18004 35524 0-0 5: 115 243 100 116 128 0.924 13.81 -2.2 83 86 64 85 243 11.8 21.222 -0.034 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1028 Aspartic acid 14.0225 1508.9 2.5 scans 37% 232 m/z 0.27% 0.110% 754 1.5 149 72851 469520 469142 0-1 17: 232 233 218 100 234 202 188 306 216 219 334 204 220 235 292 203 189 0.953 14.02 0.4 94 94 85 97 258 5.0 0.000 0.006 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0593 1511.3 3.1 scans 95% 156 m/z 0.047% 0.994% 758 0.5 394 421558 4240739 4169374 1-0 20: 156 73 147 157 230 258 75 158 74 259 231 59 133 72 58 140 148 55 86 112 0.990 14.11 -3.4 99 97 97 99 273 16.4 0.173 -0.051 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1134 GABA 14.1877 1519.8 2.6 scans 80% 174 m/z (314) 0.23% 0.212% 770 0.9 201 85470 904530 816918 4-1 16: 174 304 147 175 305 75 86 176 216 246 306 133 130 172 148 131 0.997 14.24 -3.6 96 97 95 97 304 63.3 9.950 -0.054 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1032 GABA 14.1877 1519.8 2.9 scans 91% TIC 0.23% 0.238% 770 1.3 214 85370 1.60% 1015850 998272 6823394 0-2 0.998 14.19 0.0 99 99 98 99 304 63.4 8.806 -0.000 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3550 1530.9 2.9 scans 80% TIC 0.99% 0.0682% 786 0.7 102 20172 0.231% 291230 202056 985128 2-4 0.965 14.62 -17.7 96 96 91 96 409 8.0 0.609 -0.266 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6002 1547.2 2.5 scans 88% TIC 0.88% 0.0603% 809 1.4 109 22657 257339 242710 1-1 0.983 14.69 -6.0 97 96 93 97 409 8.1 0.562 -0.092 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.0537 1577.2 2.7 scans 76% TIC 2.6% 0.0133% 852 1.7 50 7561 57057 54860 0-1 0.972 15.44 -25.8 82 84 78 84 393 0.0 0.000 -0.386 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1036 Glutamic acic 15.4946 1606.8 2.5 scans 66% 246 m/z 4.4% 0.00905% 894 0.9 44 4539 38593 38593 0-0 5: 246 247 128 248 348 0.984 15.50 -0.6 96 97 95 98 363 4.5 1.039 -0.008 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1118 Phenylalanine 15.5987 1614.0 2.8 scans 47% 218 m/z (267) 3.2% 0.0155% 904 1.1 53 6097 0.0158% 66344 63881 67381 1-0 7: 218 192 91 219 100 266 220 0.858 15.66 -4.2 91 95 77 94 294 4.5 0.710 -0.060 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1040 Xylose 15.9943 1641.5 2.7 scans 77% 73 m/z 1.8% 0.0304% 942 1.3 75 11024 0.0626% 129817 122230 266965 2-2 13: 73 103 307 217 147 117 160 75 189 308 133 74 205 0.947 16.00 -0.6 89 89 88 90 307 17.1 5.232 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1042 Ribose 16.0933 1648.4 2.9 scans 72% 73 m/z 2.5% 0.0190% 951 0.6 61 7882 0.170% 81415 73088 724986 0-5 5: 73 103 307 217 147 0.955 16.10 -0.6 92 92 87 94 307 17.4 8.055 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1108 Ribose 16.3068 1663.2 2.7 scans 85% TIC 0.67% 0.101% 971 0.8 127 29864 0.294% 430854 365872 1253799 1-6 0.979 16.38 -4.7 95 94 91 95 467 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6035 1683.8 2.6 scans 93% 73 m/z 0.32% 0.208% 1000 1.1 201 61174 0.230% 888012 820541 980863 1-0 20: 73 307 319 147 217 103 308 320 205 129 306 218 321 74 309 133 148 117 277 243 0.998 16.68 -5.0 99 98 97 99 497 5.3 0.069 -0.072 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9140 1705.6 2.7 scans 80% 73 m/z 1.4% 0.0375% 1029 1.2 92 13413 0.0911% 160254 160254 388507 0-0 17: 73 217 307 147 205 103 319 218 204 129 189 277 206 320 221 148 243 0.975 16.99 -5.5 94 93 91 93 422 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9866 1710.9 2.8 scans 91% TIC 0.48% 0.143% 1036 1.4 163 41784 1.03% 609967 584840 4392560 1-0 0.992 17.06 -5.6 89 88 92 88 510 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1096 Putrescine 17.1770 1724.8 2.7 scans 35% 174 m/z 1.7% 0.0114% 1054 1.3 47 11208 49003 46081 1-2 6: 174 214 172 86 200 361 0.948 17.25 -5.2 90 90 76 91 458 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1094 cis-Aconitic acid 17.2938 1733.3 2.5 scans 70% 73 m/z 2.2% 0.0165% 1065 1.2 64 8832 70532 69907 0-1 8: 73 147 375 229 133 285 211 376 0.963 17.36 -5.0 89 89 89 90 436 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5579 1752.6 2.6 scans 93% TIC 0.18% 0.268% 1090 1.1 228 108789 0.446% 1146537 1086367 1902021 0-1 0.993 17.63 -5.4 94 93 94 96 450 35.7 2.459 -0.074 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6852 1761.9 2.8 scans 22% 334 m/z (73) 4.4% 0.0224% 1102 1.0 60 4493 0.0365% 95754 86294 155659 3-0 13: 334 204 256 375 335 129 255 336 285 166 167 211 151 0.808 17.70 -1.0 82 86 48 85 375 10.5 3.002 -0.014 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1086 Fructofuranose 18.0577 1789.1 >4 scans 77% TIC 1.3% 0.0398% 1138 1.3 77 15147 3.23% 170022 155392 13774727 3-0 0.977 18.13 -5.5 87 86 82 90 437 20.7 7.227 -0.076 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1046 Shikimic acid 18.1293 1794.3 2.7 scans 80% 204 m/z 0.48% 0.0990% 1145 0.9 138 41608 0.100% 422464 422464 426462 0-0 12: 204 205 255 357 206 254 372 447 331 256 358 359 0.991 18.13 0.3 93 92 91 95 372 16.7 1.467 0.004 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1082 Citric acid 18.2618 1804.2 2.7 scans 97% 273 m/z 0.023% 3.74% 1157 0.6 845 852886 15983892 15923605 1-0 20: 273 73 147 363 375 347 274 465 275 211 148 75 376 149 364 305 348 133 257 466 0.998 18.32 -4.5 98 96 96 99 465 133.6 2.508 -0.059 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1076 Pregnane?? 18.7753 1843.3 2.3 scans 98% 345 m/z 0.025% 2.19% 1206 0.8 692 788927 9353837 9195435 1-0 20: 345 73 255 346 147 347 204 334 256 191 435 419 133 74 148 372 239 257 75 348 0.999 18.86 -6.4 100 99 99 100 537 51.7 0.562 -0.083 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1074 Adenine 18.8689 1850.5 2.9 scans 30% 264 m/z 1.6% 0.0202% 1215 1.1 60 12214 0.0329% 86374 86374 140306 0-0 9: 264 265 279 192 266 165 434 84 99 0.888 18.94 -5.4 85 81 82 96 415 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1072 Fructose 18.9415 1856.0 2.5 scans 97% 73 m/z 0.060% 1.02% 1222 0.8 457 331016 1.05% 4351672 4351672 4477853 0-0 20: 73 307 217 103 147 308 218 277 133 74 117 364 309 205 189 89 104 219 148 75 1.000 19.03 -7.0 99 98 98 99 364 47.2 1.068 -0.091 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1052 Fructose 19.0604 1865.1 2.7 scans 93% TIC 0.086% 0.877% 1233 0.7 385 232491 1.90% 3741290 3262013 8102781 3-4 0.995 19.10 -3.3 98 97 98 98 364 41.8 1.182 -0.044 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1054 Galactose 19.1793 1874.2 2.8 scans 69% 319 m/z (204) 1.5% 0.0368% 1244 0.9 84 13287 2.56% 157213 157213 10917431 0-0 4: 319 160 320 321 0.967 19.22 -2.8 87 88 86 93 376 0.0 0.000 -0.037 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN BRA4_R~2-N1004 Galactose 19.1804 1874.2 >3 scans 65% TIC 1.7% 0.0255% 1244 1.6 81 11169 2.87% 108952 108952 12239464 0-0 0.968 19.36 -13.9 83 81 81 88 364 4.1 0.248 -0.181 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1068 Galactopyranose 19.2078 1876.3 2.7 scans 55% 204 m/z (319) 1.2% 0.0355% 1247 1.2 81 16360 0.161% 151524 145170 686604 4-0 4: 204 191 192 193 0.953 19.32 -8.2 89 91 87 93 435 7.8 0.925 -0.107 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1064 Mannose 19.2698 1881.1 2.5 scans 98% 73 m/z 0.034% 1.98% 1253 0.8 655 584115 8485534 8471579 1-0 20: 73 319 205 147 160 320 217 103 321 206 117 74 133 229 129 148 157 204 189 75 1.000 19.45 -14.1 99 97 99 99 319 238.6 13.321 -0.185 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1059 Glucose 19.5055 1899.0 3.1 scans 92% TIC 0.18% 0.412% 1275 0.7 259 110020 1760292 1701015 1-1 0.984 19.55 -3.7 98 97 97 98 376 9.1 0.125 -0.046 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1061 Lysine 19.5897 1905.8 2.7 scans 61% 174 m/z 3.5% 0.0168% 1283 1.1 57 5738 71997 71997 0-1 9: 174 317 156 128 230 318 100 86 175 0.903 19.61 -1.8 89 88 81 94 434 5.3 0.845 -0.023 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.6886 1913.7 3.0 scans 71% TIC 3.0% 0.0186% 1293 1.1 64 6671 0.0991% 79623 79623 422624 0-0 0.960 19.79 -8.2 89 89 82 91 434 0.0 0.000 -0.102 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1056 Ascorbic acid 19.8780 1928.9 2.6 scans 34% 332 m/z 6.9% 0.00712% 1311 1.1 38 2878 30366 30366 0-0 2: 332 374 0.817 19.99 -8.8 85 87 70 85 449 5.4 2.007 -0.108 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2684 1960.3 2.7 scans 15% 204 m/z (217) 0.73% 0.0460% 1348 1.2 93 27397 196549 187608 1-1 11: 204 191 205 206 192 129 193 437 203 231 105 0.515 20.41 -11.7 81 91 55 86 217 25.3 0.000 -0.146 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2736 1960.7 2.9 scans 90% 73 m/z 0.25% 0.279% 1348 1.0 224 79334 1191262 1170428 1-0 20: 73 147 217 103 333 218 74 148 189 133 117 435 221 75 359 149 309 331 72 245 0.945 20.30 -1.8 99 98 98 99 433 24.0 1.141 -0.022 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1054 Gluconic acid 3 20.4420 1974.3 2.8 scans 81% TIC 1.7% 0.0347% 1364 1.0 84 11214 0.0721% 148010 148010 307479 0-0 0.984 20.55 -8.6 86 85 86 88 613 0.0 0.000 -0.107 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1050 Gluconic acid 20.5461 1982.6 2.8 scans 69% 73 m/z 3.5% 0.0153% 1374 1.5 55 5743 0.0866% 65440 63626 369316 0-2 7: 73 292 333 147 334 217 205 0.943 20.65 -8.3 87 87 79 87 613 0.0 0.000 -0.102 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1048 Galactaric acid 21.0628 2025.3 2.7 scans 87% TIC 1.2% 0.0473% 1423 1.1 95 15783 0.129% 201809 201809 550136 0-0 0.974 21.15 -7.4 95 94 91 96 627 8.5 0.793 -0.088 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN WTF2-N1038 C16:0 21.1196 2030.0 2.7 scans 90% TIC 1.0% 0.0815% 1429 1.0 128 19725 0.125% 347886 338092 533078 0-1 0.986 20.62 41.7 91 95 95 98 328 13.1 1.034 0.503 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6688 2076.2 3.1 scans 98% 305 m/z 0.012% 9.78% 1481 0.5 1273 1610930 41736754 41708038 1-0 20: 305 73 217 318 147 191 306 319 265 204 218 307 432 433 320 367 129 133 291 192 1.000 21.75 -6.7 100 100 100 100 507 103.0 0.656 -0.080 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8561 2091.9 3.0 scans 96% 319 m/z 0.046% 2.02% 1499 0.9 571 431599 8632320 8182582 2-2 20: 319 73 205 147 320 217 103 262 321 206 204 229 117 74 157 133 148 89 129 291 0.997 21.93 -6.2 95 92 96 99 656 12.9 0.051 -0.074 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1718 2119.2 2.5 scans 95% 396 m/z 0.17% 0.403% 1529 1.0 286 114944 1719094 1689548 1-1 19: 396 219 73 397 381 398 220 191 307 382 293 249 75 74 221 399 383 308 233 0.992 22.19 -1.3 99 97 95 99 396 121.2 17.929 -0.014 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6579 2161.7 3.5 scans 79% 204 m/z 1.5% 0.0407% 1575 1.0 77 13380 0.0546% 173601 145221 232848 4-2 9: 204 73 145 361 205 217 117 206 218 0.975 22.71 -4.8 91 91 90 91 518 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN WTF2-N1036 C18:0 23.3745 2225.4 2.8 scans 90% TIC 1.1% 0.0750% 1643 0.9 119 17248 0.148% 320177 289682 631164 0-4 0.990 22.89 43.6 91 97 95 97 356 15.0 1.599 0.485 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6371 2342.4 3.0 scans 95% 73 m/z 0.14% 0.760% 1763 0.5 330 138098 3243393 3056422 1-1 20: 73 331 147 217 191 205 103 307 421 262 319 305 204 332 259 422 74 376 333 117 0.996 24.65 -1.2 97 94 97 100 466 19.5 0.350 -0.013 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7276 2351.0 2.7 scans 91% 73 m/z 0.84% 0.0972% 1772 1.0 136 23790 0.576% 414604 396643 2456422 1-1 20: 73 217 204 147 292 375 103 305 219 451 218 205 377 233 133 306 275 293 101 363 0.993 24.81 -7.4 95 94 94 94 451 15.9 1.368 -0.077 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3364 2508.6 2.8 scans 80% TIC 1.7% 0.0345% 1925 0.7 81 11639 0.264% 147274 145289 1125860 1-0 0.982 26.35 -1.4 86 86 85 85 495 15.6 3.746 -0.014 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4321 2518.5 3.2 scans 81% 73 m/z 1.7% 0.0475% 1934 1.1 87 11403 0.106% 202827 181952 452050 1-0 20: 73 217 204 147 740 305 175 741 129 205 273 191 231 742 130 257 131 206 232 243 0.986 26.52 -9.1 93 93 89 93 740 12.3 1.971 -0.089 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5184 2527.4 2.8 scans 92% 512 m/z 0.58% 0.164% 1942 0.9 177 34152 702983 693776 0-1 20: 512 455 73 513 247 456 483 57 514 457 349 219 263 248 497 484 179 175 423 74 0.981 26.57 -5.7 99 98 96 99 512 61.1 11.950 -0.055 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1020 Sucrose 27.3949 2618.6 8.6 scans 20% 437 m/z (361) 0.026% 5.29% 2025 1.3 623 766927 5.96% 22587355 21903242 25417144 1-0 14: 437 438 451 332 440 481 463 467 151 356 289 335 466 309 0.670 27.46 -7.0 89 90 44 98 437 271.9 19.128 -0.066 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1018 Sucrose 27.4044 2619.6 8.5 scans 61% 361 m/z (271) 0.0059% 16.5% 2026 0.8 1098 3376344 18.9% 70690130 68575641 80601346 1-0 20: 361 362 363 364 331 273 305 206 306 317 187 202 277 234 367 334 322 366 310 374 0.959 27.47 -6.9 81 84 64 82 437 274.1 6.279 -0.066 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1014 Sucrose 27.4075 2619.9 >7 scans 91% 271 m/z 0.0059% 23.8% 2026 0.8 1338 3376344 27.6% 101829353 98579554 117703553 1-0 20: 271 319 331 245 189 257 321 170 273 291 259 143 247 307 333 190 206 306 258 317 1.000 27.49 -8.8 100 99 99 100 437 274.1 4.229 -0.082 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1010 Sucrose 27.4170 2620.9 >7 scans 96% 243 m/z 0.0059% 24.7% 2027 0.5 1371 3376344 28.8% 105531857 102280878 122821098 1-0 20: 243 169 205 148 244 104 157 220 130 203 113 155 105 116 241 185 199 175 154 67 1.000 27.58 -17.3 100 99 98 99 437 270.8 3.929 -0.162 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN LQC1-N1008 Sucrose 27.4328 2622.6 8.4 scans 100% 73 m/z 0.0060% 27.8% 2029 0.2 1405 3330288 118580745 118100723 1-0 20: 73 103 129 74 75 452 117 453 69 101 81 59 55 113 89 105 132 115 76 150 0.999 27.59 -16.9 100 99 97 99 437 255.8 3.339 -0.158 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN GUA35_L1-N1020 Galactinol 30.5936 2978.1 3.5 scans 79% TIC 1.2% 0.0630% 2329 1.5 94 16357 0.291% 268762 242227 1241005 0-7 0.976 30.55 5.7 81 81 89 83 641 0.0 0.000 0.049 G:\GCMS data\Nicotiana Panel polar\P_N506_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6121 3099.1 >5 scans 60% TIC 5.0% 0.0139% 2426 1.6 46 4020 2.43% 59467 55711 10363030 0-1 0.952 31.68 -7.5 83 83 75 83 597 7.7 2.848 -0.063 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN EXBLK5S-N1006 Contamination 6.6245 1063.3 3.9 scans 70% 207 m/z 0.93% 0.0400% 51 1.4 95 28886 0.0714% 428131 337568 763883 12-1 15: 207 295 73 208 209 191 296 193 297 192 279 189 210 298 177 0.983 6.63 -0.0 99 98 94 98 295 29.4 9.493 -0.001 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN A-KETO~2-N1006 Contamination?? 7.9955 1144.5 2.9 scans 72% 156 m/z 4.2% 0.00690% 181 1.1 51 6361 0.00963% 73883 70599 103028 8-4 5: 156 75 55 157 54 0.963 7.96 2.3 97 97 93 98 156 26.1 26.321 0.038 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1192 Contamination 8.0754 1149.3 2.7 scans 66% TIC 4.4% 0.00574% 189 1.5 54 6136 0.0188% 61479 60108 201134 0-1 0.936 7.99 5.1 93 94 86 93 235 10.2 3.610 0.086 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN WTF2-N1026 Cadaverine NC 8.2007 1156.7 3.4 scans 56% 174 m/z (142) 4.3% 0.00837% 201 0.8 44 6250 0.00973% 89636 67238 104098 2-6 6: 174 175 86 216 160 130 0.921 7.74 27.5 89 95 82 96 216 10.2 5.430 0.465 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1188 Contamination 8.3806 1167.4 5.5 scans 81% 281 m/z 2.6% 0.0233% 218 2.0 66 10241 0.0263% 250014 210386 281374 7-10 10: 281 369 73 282 147 370 283 249 371 191 0.989 8.41 -2.0 98 98 82 99 369 19.1 8.435 -0.034 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1186 Phosphate 8.6079 1180.8 2.5 scans 74% 241 m/z 1.5% 0.0112% 240 1.2 69 17983 120281 115145 1-3 10: 241 242 211 163 133 243 256 135 195 89 0.958 8.56 2.8 98 98 90 98 299 0.0 0.000 0.047 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1184 Valine 9.2171 1216.7 6.3 scans 67% 144 m/z 3.6% 0.0102% 298 0.4 44 7504 0.0115% 109802 102375 123034 0-2 4: 144 73 145 218 0.962 9.19 1.7 95 96 88 95 218 13.8 9.694 0.029 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1180 Benzoic acid 9.7790 1249.6 3.2 scans 55% 179 m/z 12% 0.00263% 351 0.6 28 2193 28203 28203 1-0 3: 179 105 135 0.790 9.76 1.1 89 94 79 93 194 2.6 0.000 0.020 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN VEN77_S6-N1002 Glycerol 10.1430 1270.9 4.2 scans 98% 299 m/z 0.0081% 3.57% 386 0.3 964 3334978 38295806 37020807 1-1 20: 299 300 314 73 133 283 211 315 207 193 191 147 316 135 225 298 284 205 181 115 1.000 10.09 2.9 100 98 95 99 299 596.8 38.631 0.049 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN A-AMYRIN-N1012 Contamination?? 10.2640 1278.0 2.7 scans 57% 73 m/z 5.3% 0.00283% 397 1.0 35 5083 30353 29290 1-1 4: 73 198 77 211 0.876 10.24 1.4 84 87 78 87 381 2.3 0.000 0.024 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1176 Isoleucine 10.4618 1289.6 3.1 scans 23% 158 m/z 1.6% 0.00957% 416 0.6 53 16172 0.0168% 102466 89108 179737 3-0 6: 158 218 159 232 219 160 0.952 10.46 0.2 87 88 63 88 260 5.5 1.086 0.003 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1012 Proline 10.5555 1295.1 2.9 scans 96% 142 m/z 0.023% 0.872% 425 0.4 521 1163448 0.982% 9334043 8850896 10506066 5-0 20: 142 73 143 216 147 144 74 72 75 59 217 66 133 148 100 244 218 131 58 70 0.992 10.53 1.3 100 98 99 100 216 98.0 3.562 0.022 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1014 Maleic acid 10.6207 1298.9 2.9 scans 90% 147 m/z 0.16% 0.116% 431 1.0 226 162747 1.35% 1248912 1248912 14443167 0-0 20: 147 73 245 148 75 83 149 74 133 115 246 84 143 170 59 58 155 126 54 61 0.995 10.60 1.1 99 97 98 99 245 50.5 5.000 0.019 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1170 Glycine 10.6775 1302.3 >5 scans 54% TIC 1.6% 0.00831% 436 0.9 73 16424 1.26% 88953 88953 13480289 0-0 0.982 10.69 -0.5 93 93 87 93 276 11.5 2.476 -0.009 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7733 1308.0 3.3 scans 97% TIC 0.023% 1.10% 445 0.6 590 1145604 11804869 11491737 1-1 0.994 10.76 0.9 99 97 96 100 251 136.9 5.410 0.015 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1168 Glyceric acid 11.0395 1324.1 2.4 scans 97% 73 m/z 0.067% 0.492% 471 0.7 462 403180 5269047 5003705 1-1 20: 73 147 292 189 133 103 205 293 102 190 117 307 75 148 74 59 294 149 191 101 0.999 11.05 -0.8 100 99 99 100 292 138.0 8.921 -0.015 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.1005 1327.7 2.8 scans 63% 184 m/z 10% 0.00393% 477 1.0 39 2501 0.0125% 42133 42133 133733 0-0 4: 184 134 285 174 0.940 11.06 2.2 90 90 82 95 285 12.6 10.397 0.038 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1018 Uracil 11.1552 1331.0 2.6 scans 53% 241 m/z 13% 0.00170% 482 1.2 27 1960 0.00185% 18272 18272 19792 0-0 4: 241 256 99 255 0.909 11.15 0.4 95 97 97 97 256 10.0 13.876 0.007 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1162 Fumaric acid 11.3720 1344.1 2.6 scans 96% 245 m/z 0.25% 0.111% 502 1.0 213 105469 1190786 1169524 2-0 20: 245 147 73 246 75 143 240 83 247 148 133 149 74 115 84 155 241 53 59 166 0.996 11.39 -1.2 92 91 92 92 245 106.1 24.884 -0.021 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4656 1349.7 3.8 scans 53% 57 m/z 1.9% 0.0141% 511 0.9 64 14082 0.0204% 151539 151539 218252 0-0 12: 57 97 145 115 127 56 129 111 69 109 128 71 0.960 11.45 1.2 89 88 85 93 145 19.1 9.044 0.020 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN WTF2-N1024 Contamination 10.96min 11.4909 1351.2 3.1 scans 66% 84 m/z 0.44% 0.0564% 514 1.2 140 60743 603677 581629 3-2 19: 84 133 162 161 92 119 51 65 82 118 63 85 78 91 64 120 104 52 77 0.980 10.96 32.2 93 95 95 97 161 33.4 5.657 0.535 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1020 Serine 11.5162 1352.7 2.5 scans 80% 204 m/z 0.34% 0.0913% 516 1.0 199 77547 976934 892042 2-2 18: 204 73 218 205 100 147 278 219 206 75 74 220 116 306 189 101 203 148 0.986 11.51 0.1 99 99 97 99 306 19.9 1.000 0.003 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1160 Serine 11.5162 1352.7 2.5 scans 81% 204 m/z (84) 0.35% 0.0965% 516 1.0 200 77334 1032538 942815 2-2 18: 204 73 218 205 100 147 278 219 206 75 74 220 116 306 189 101 203 148 0.994 11.56 -2.5 97 98 96 99 306 19.8 0.982 -0.041 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN BRA4_R~2-N1008 Thymine 11.6003 1357.8 3.1 scans 32% 255 m/z 16% 0.000694% 524 0.9 16 1597 7424 7424 0-0 1: 255 1.000 11.58 1.0 87 93 75 93 270 6.1 14.616 0.016 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1024 Threonine 11.9233 1377.3 2.5 scans 96% 73 m/z 0.26% 0.121% 555 0.9 230 102078 1304422 1282498 1-1 20: 73 218 219 291 117 292 147 101 220 100 75 203 57 74 293 132 133 128 59 320 0.999 11.92 0.2 100 99 99 100 320 20.8 0.815 0.002 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1150 Citrulline 13.0292 1445.9 2.8 scans 46% 128 m/z 9.4% 0.00405% 660 1.1 40 2874 43421 43222 2-0 6: 128 115 243 141 100 169 0.934 13.08 -2.9 81 82 70 82 258 6.4 2.583 -0.047 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2775 1461.5 >3 scans 80% TIC 3.1% 0.00931% 683 1.6 62 8642 0.0539% 99678 99678 576657 0-0 0.969 13.31 -1.8 93 93 87 94 349 6.7 1.171 -0.028 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1146 Malic acid 13.6048 1482.1 5.3 scans 98% 147 m/z 0.010% 6.49% 715 0.2 1171 2693653 69460301 69455653 1-0 20: 147 73 233 245 133 189 335 190 191 175 148 75 265 234 149 101 74 217 307 55 0.998 13.62 -0.7 100 100 100 100 350 31.6 0.073 -0.012 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1142 Erythritol/Threitol 13.7142 1489.0 2.6 scans 87% TIC 1.3% 0.0216% 725 1.5 98 20434 5.92% 231253 230017 63335960 1-0 0.980 13.89 -11.1 96 96 95 97 320 7.5 0.595 -0.176 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1144 Contamination Parabanica acid 13.7794 1493.1 4.4 scans 69% 115 m/z 3.7% 0.0146% 731 0.7 69 7199 1.76% 156761 156761 18829610 0-0 10: 115 100 243 128 73 244 116 158 201 117 0.979 13.81 -1.7 94 94 90 94 243 26.1 14.146 -0.027 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1028 Aspartic acid 14.0288 1509.3 2.3 scans 34% 232 m/z (73) 0.20% 0.0754% 755 1.0 181 130934 807403 750037 1-3 16: 232 233 218 100 234 202 188 216 334 219 130 292 204 235 349 203 0.971 14.02 0.8 93 95 90 96 258 5.9 0.000 0.012 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0330 1509.5 >2 scans 75% 73 m/z (232) 0.14% 0.173% 755 0.8 267 185877 0.438% 1856982 1818058 4686005 1-0 12: 73 74 75 133 149 115 70 134 146 135 118 246 0.958 14.03 0.2 91 91 94 97 258 46.6 3.036 0.003 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1140 Aspartic acid 14.0330 1509.5 >2 scans 72% 73 m/z 0.16% 0.162% 755 0.8 262 160170 0.409% 1736857 1700451 4375745 1-0 12: 73 74 75 133 149 115 70 134 146 135 118 246 0.994 14.09 -3.6 100 99 98 99 349 13.0 0.244 -0.054 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0656 1511.7 3.5 scans 89% 156 m/z 0.064% 0.429% 758 0.5 355 423077 4589807 4287948 1-1 16: 156 147 230 258 157 158 231 259 72 148 140 58 59 155 86 112 0.982 14.11 -3.0 99 98 98 99 273 14.4 0.164 -0.044 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1032 GABA 14.1929 1520.2 2.8 scans 87% 174 m/z 0.23% 0.136% 771 1.0 227 113198 0.137% 1464731 1392524 1465714 2-1 19: 174 73 304 147 175 305 75 176 86 216 59 130 306 133 172 246 143 148 74 0.989 14.19 0.4 100 99 98 99 304 67.0 8.710 0.005 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3571 1531.0 2.9 scans 88% TIC 0.85% 0.0409% 786 0.8 116 31635 0.446% 437991 399893 4771594 0-4 0.993 14.62 -17.6 97 96 94 97 409 9.2 0.623 -0.264 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6117 1547.9 2.4 scans 96% 73 m/z 0.072% 0.408% 810 1.0 428 374443 4374545 4326510 0-1 20: 73 292 147 220 205 293 217 117 103 221 294 133 148 74 75 319 149 291 102 206 0.987 14.69 -5.3 100 99 98 99 409 30.6 0.513 -0.080 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7411 1556.5 3.0 scans 90% 174 m/z 0.32% 0.0875% 823 1.0 177 82250 936229 902730 1-1 20: 174 73 86 175 91 176 250 100 59 65 130 251 117 162 74 121 118 144 87 116 0.979 14.16 38.2 90 91 89 100 250 31.6 3.189 0.576 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1126 Pyrazine 15.0694 1578.3 2.5 scans 70% 227 m/z 3.3% 0.0100% 854 0.9 67 8041 107411 107411 1-0 10: 227 344 301 345 154 302 139 228 211 126 0.960 15.13 -4.1 94 94 86 95 344 20.3 9.190 -0.063 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3745 1598.5 2.6 scans 58% 217 m/z 1.5% 0.00857% 883 1.1 64 17095 0.0124% 91769 91769 132663 0-0 4: 217 218 219 129 0.937 15.44 -4.5 93 93 84 93 393 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1120 Glutamic acid 15.4956 1606.8 2.4 scans 74% 246 m/z 2.3% 0.0104% 894 1.1 68 11720 111328 111328 0-1 8: 246 247 128 248 230 348 156 84 0.949 15.56 -4.5 95 96 88 95 363 7.4 1.174 -0.064 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1118 Phenylalanine 15.5997 1614.1 2.7 scans 49% 218 m/z (328) 1.7% 0.0225% 904 1.2 92 15786 241413 223729 2-2 6: 218 192 91 219 266 220 0.860 15.66 -4.1 89 92 82 96 294 7.1 0.604 -0.059 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1038 Xylose 15.8796 1633.5 7.0 scans 59% TIC 4.5% 0.00859% 931 1.5 49 5925 0.0106% 91909 91909 113406 0-0 0.874 15.89 -0.7 83 83 79 95 307 10.8 4.868 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1040 Xylose 15.9974 1641.7 2.7 scans 77% 103 m/z 0.97% 0.0283% 942 1.1 110 27646 303636 284631 1-1 17: 103 307 217 308 160 189 204 74 277 218 117 104 309 89 205 129 105 0.897 16.00 -0.4 96 95 95 96 307 26.2 5.708 -0.007 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1042 Ribose 16.0953 1648.5 2.6 scans 80% 73 m/z 1.6% 0.0180% 951 0.8 85 16499 0.0770% 192873 188776 823795 2-1 14: 73 103 307 217 147 308 309 277 160 74 218 189 104 89 0.980 16.10 -0.5 96 95 94 97 307 24.1 7.979 -0.008 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2184 1657.0 3.1 scans 52% 290 m/z 1.0% 0.0152% 963 1.8 70 24712 163618 155086 1-2 7: 290 291 158 392 292 144 393 0.792 16.28 -4.1 97 97 69 97 392 13.3 3.666 -0.058 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6067 1684.0 2.8 scans 86% 73 m/z 0.70% 0.0472% 1000 1.1 144 38589 0.0651% 505453 498392 696482 0-1 20: 73 307 319 147 103 217 308 320 205 129 306 309 74 277 133 229 218 117 189 148 0.990 16.68 -4.8 99 98 98 99 497 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1104 Rhamnose 16.8634 1701.9 2.9 scans 52% TIC 4.1% 0.00460% 1024 1.5 54 6454 0.130% 49225 49225 1390823 0-0 0.908 16.93 -5.0 81 85 80 84 392 7.3 1.858 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9897 1711.1 3.5 scans 78% TIC 1.5% 0.0257% 1036 1.6 96 17490 0.374% 275212 275212 4001292 0-0 0.967 17.06 -5.4 95 95 91 95 510 0.0 0.000 -0.072 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1096 Putrescine 17.1812 1725.1 2.9 scans 59% 174 m/z 0.48% 0.0341% 1054 1.2 111 55411 365605 352088 1-2 14: 174 175 214 176 172 86 200 361 100 146 376 362 114 187 0.986 17.25 -4.9 97 96 94 98 458 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1044 Putrescine 17.1812 1725.1 2.9 scans 72% 174 m/z (73) 0.50% 0.0421% 1054 1.2 122 54011 450960 434287 1-2 14: 174 175 214 176 172 86 200 361 100 146 376 362 114 187 0.989 17.19 -0.5 95 96 97 99 376 9.4 0.595 -0.007 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3727 1739.1 3.0 scans 79% TIC 1.5% 0.0221% 1073 1.4 93 17752 0.297% 237122 237122 3177497 0-0 0.973 17.44 -5.2 97 97 93 97 511 6.9 0.553 -0.070 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5579 1752.6 3.0 scans 99% 219 m/z 0.12% 0.241% 1090 1.0 294 220516 0.294% 2586524 2482312 3145401 0-1 20: 219 75 215 244 230 189 103 231 220 59 130 131 117 204 190 142 102 100 270 145 0.997 17.63 -5.4 98 96 96 99 450 36.6 1.550 -0.074 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1086 Fructofuranose 18.0882 1791.3 3.2 scans 96% 217 m/z 0.017% 2.66% 1141 0.5 938 1516472 3.96% 28518925 27796391 42366622 0-3 20: 217 73 437 147 438 218 439 257 219 191 129 74 230 133 103 319 189 303 215 75 1.000 18.13 -3.3 93 91 93 96 437 287.2 9.415 -0.046 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1084 Shikimic acid 18.1345 1794.7 3.2 scans 23% 204 m/z 0.42% 0.0333% 1145 1.0 121 63963 0.107% 356960 356960 1144755 0-0 18: 204 357 372 255 206 254 462 373 358 283 167 256 447 331 282 356 374 195 0.789 18.20 -4.5 95 95 94 97 462 13.7 1.275 -0.063 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1082 Citric acid 18.2534 1803.5 2.8 scans 72% 273 m/z 0.071% 0.476% 1156 1.0 435 376629 1.03% 5102678 5075524 11019601 1-0 20: 273 347 363 375 274 465 75 149 211 275 348 364 221 376 305 257 466 183 231 349 0.844 18.32 -5.2 97 95 95 98 465 57.3 1.743 -0.068 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1048 Citric acid 18.2534 1803.5 2.8 scans 26% 273 m/z (73 191) 0.14% 0.175% 1156 1.0 262 187980 0.382% 1882949 1872929 4086881 1-0 20: 273 347 363 375 274 465 75 149 211 275 348 364 221 376 305 257 466 183 231 349 0.796 18.24 0.7 85 92 50 93 465 57.3 4.794 0.009 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5880 1829.1 4.3 scans 90% 217 m/z 0.098% 0.489% 1188 0.9 359 275368 5231751 4830181 1-1 20: 217 73 147 191 218 319 219 103 74 133 204 320 189 192 305 205 230 157 345 149 1.000 18.67 -6.2 95 93 94 96 319 66.3 3.411 -0.081 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1076 Pregnane?? 18.7952 1844.9 3.3 scans 96% 345 m/z 0.018% 2.27% 1208 0.7 869 1486996 24315254 23699124 1-1 20: 345 73 346 255 147 347 204 191 334 256 435 419 372 133 74 148 257 239 75 348 0.998 18.86 -4.8 100 100 99 100 537 67.0 0.598 -0.063 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1074 Adenine 18.8763 1851.0 3.4 scans 4.6% 264 m/z 7.0% 0.00205% 1216 1.5 26 3847 0.0118% 21987 21987 126244 0-0 2: 264 265 0.922 18.94 -4.9 89 92 75 92 415 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1050 Fructose 18.9857 1859.4 6.0 scans 95% TIC 0.022% 3.30% 1226 1.0 871 1180464 3.86% 35335743 35050014 41296758 1-0 1.000 18.98 0.4 100 98 99 100 364 97.8 1.267 0.006 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1072 Fructose 19.0025 1860.7 >2 scans 93% 73 m/z 0.023% 1.69% 1228 3.6 832 1164890 3.75% 18109761 17524429 40119907 0-1 20: 73 103 147 133 74 117 189 104 219 89 75 172 204 129 173 105 72 291 279 59 1.000 19.03 -2.3 99 97 99 99 364 93.6 1.270 -0.030 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1070 Fructose 19.1383 1871.0 5.5 scans 94% TIC 0.024% 3.20% 1240 0.5 833 1094268 24.0% 34250746 33548368 256767405 1-0 0.999 19.19 -4.3 99 97 99 99 554 49.1 0.348 -0.056 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1068 Galactopyranose 19.2719 1881.2 4.6 scans 83% 204 m/z 0.0075% 5.38% 1253 0.6 1141 3591054 12.3% 57563418 56222901 131593295 2-0 20: 204 191 73 217 205 147 192 206 129 218 193 203 189 435 305 133 231 219 74 117 0.999 19.32 -3.3 99 98 98 99 435 89.7 0.621 -0.043 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1066 Glucose 19.3277 1885.5 7.7 scans 44% 201 m/z 0.011% 4.52% 1259 1.6 838 2443763 4.94% 48400446 46250777 52851291 0-3 8: 201 432 302 433 555 434 556 507 0.521 19.40 -5.4 96 100 61 97 319 510.9 37.414 -0.071 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1064 Mannose 19.3718 1888.9 6.9 scans 91% 73 m/z 0.010% 10.1% 1263 0.2 1319 2565598 15.9% 108130562 100536468 170108406 0-3 20: 73 319 205 147 160 217 103 117 206 157 74 133 129 229 75 148 189 89 161 207 0.997 19.45 -6.3 99 98 97 98 319 523.4 15.811 -0.083 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1062 Glucose 19.5739 1904.5 2.8 scans 95% TIC 0.016% 3.08% 1282 0.4 1015 1625403 3.16% 32971106 32457975 33807708 1-0 0.990 19.66 -6.6 100 99 98 99 319 390.5 14.864 -0.082 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1061 Lysine 19.6265 1908.7 3.0 scans 80% 73 m/z 0.57% 0.0744% 1287 1.1 175 47140 1.20% 796998 756437 12838370 0-1 20: 73 174 317 156 128 318 230 175 100 86 434 176 115 59 147 130 200 228 114 88 0.988 19.61 1.1 86 80 79 98 434 19.3 1.222 0.013 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7222 1916.4 2.6 scans 57% 319 m/z 2.3% 0.0112% 1296 1.0 80 11442 0.0365% 120813 119976 390500 0-1 7: 319 205 320 217 307 321 244 0.928 19.79 -5.5 90 91 85 91 434 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN N406_R~2-N1016 Galacturonic acid 19.7759 1920.7 2.6 scans 13% 333 m/z 7.5% 0.00199% 1301 1.1 29 3585 0.00464% 21332 19176 49642 1-0 3: 333 160 334 0.854 19.79 -1.4 80 81 74 90 423 3.6 1.511 -0.017 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.3420 1966.2 5.1 scans 98% 204 m/z 0.0060% 8.21% 1355 0.3 1369 4447427 87880774 87799170 1-0 20: 204 73 191 217 205 147 192 206 218 129 189 193 74 203 133 103 75 148 117 231 0.996 20.41 -5.8 100 99 99 100 217 309.2 5.132 -0.072 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1052 Gluconic acid 2 20.5345 1981.7 3.0 scans 73% TIC 1.1% 0.0277% 1373 0.8 112 24572 6.30% 296935 296935 67401444 0-0 0.950 20.60 -5.0 83 83 84 83 613 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1050 Gluconic acid 20.5871 1985.9 2.4 scans 73% TIC 1.6% 0.0168% 1378 1.2 94 16883 180781 180781 0-0 0.969 20.65 -5.0 93 93 90 93 613 3.6 0.148 -0.061 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1054 Gluconic acid 3 20.7355 1997.9 3.5 scans 62% 73 m/z 2.1% 0.0141% 1392 1.3 78 12374 0.0665% 151330 151330 711460 0-0 11: 73 333 292 147 205 319 334 305 293 359 103 0.941 20.55 15.0 89 88 83 91 613 0.0 0.000 0.186 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1048 Galactaric acid 21.0775 2026.5 2.7 scans 58% 333 m/z 4.6% 0.00674% 1425 1.0 51 5845 72193 71780 0-2 4: 333 334 292 335 0.914 21.15 -6.2 83 85 78 86 627 3.4 0.445 -0.074 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN WTF2-N1038 C16:0 21.1374 2031.5 2.8 scans 81% 313 m/z 1.8% 0.0268% 1430 1.2 100 14697 287035 273279 4-1 18: 313 117 75 314 132 129 145 55 57 328 131 315 69 201 118 56 285 67 0.970 20.62 43.2 90 97 93 96 328 11.3 1.291 0.520 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN INOSIT~1-N1022 myo-Inositol 21.7035 2079.1 6.4 scans 17% 432 m/z (305) 0.034% 1.82% 1484 0.2 562 789009 19538660 18406719 1-1 20: 432 320 434 308 435 394 417 322 331 421 396 347 332 54 422 89 233 597 348 240 0.696 21.74 -3.2 88 93 54 96 507 102.5 3.335 -0.037 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1040 myo-Inositol 21.7140 2080.0 6.4 scans 53% 73 m/z (432) 0.014% 5.52% 1485 0.2 1001 1920091 59061488 59026326 1-0 20: 73 307 393 74 103 368 321 75 130 59 392 132 268 104 113 194 101 370 81 55 0.795 21.78 -5.6 90 93 93 94 378 15.5 0.024 -0.067 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.7140 2080.0 6.4 scans 100% 73 m/z 0.011% 10.3% 1485 0.2 1379 2291518 110405468 110339739 1-0 20: 73 307 393 74 103 368 321 75 130 59 392 132 268 104 113 194 101 370 81 55 1.000 21.75 -2.9 100 99 99 99 507 102.5 0.554 -0.035 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1042 myo-Inositol 21.7172 2080.3 6.1 scans 83% 305 m/z (434) 0.013% 8.42% 1486 0.2 1274 2044230 90104187 90065624 1-0 20: 305 217 318 147 191 306 319 265 204 218 307 432 320 367 291 133 129 219 192 148 0.988 21.77 -4.8 94 95 96 98 318 350.3 7.576 -0.057 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8582 2092.1 2.9 scans 94% 73 m/z 0.13% 0.332% 1499 0.9 346 198946 3553117 3209781 4-2 20: 73 319 205 147 320 217 103 262 321 206 204 117 74 229 133 89 157 148 129 291 0.998 21.93 -6.0 95 93 96 99 656 7.7 0.050 -0.072 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1032 trans-Caffeic acid 22.1833 2120.2 2.6 scans 88% TIC 0.63% 0.0620% 1530 1.2 167 42692 0.113% 664148 630226 1208947 1-0 0.994 22.25 -5.8 93 91 89 94 396 60.2 12.994 -0.067 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6484 2160.8 3.5 scans 91% 204 m/z 0.46% 0.0728% 1574 1.4 152 58264 779778 754947 1-2 20: 204 73 205 147 217 206 361 191 131 74 75 103 129 218 133 189 219 362 231 250 0.992 22.71 -5.7 96 93 95 99 518 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN WTF2-N1036 C18:0 23.3797 2225.8 2.8 scans 81% 341 m/z 2.3% 0.0222% 1643 1.3 89 11379 0.0292% 237830 228380 312400 0-4 16: 341 117 75 132 342 145 129 55 57 356 343 56 69 118 201 83 0.954 22.89 44.0 86 91 88 95 356 11.3 1.594 0.491 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1015 2291.8 2.3 scans 75% 204 m/z 1.4% 0.0157% 1712 1.4 86 19223 168928 161931 0-2 6: 204 205 103 129 338 206 0.967 24.01 8.3 92 93 91 94 490 0.0 0.000 0.091 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6339 2342.1 4.8 scans 90% TIC 0.47% 0.140% 1763 0.6 191 57621 0.183% 1505470 1348184 1957851 4-1 0.993 24.65 -1.5 99 98 98 99 466 11.2 0.341 -0.016 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7244 2350.7 2.7 scans 87% 73 m/z 1.0% 0.0452% 1771 1.0 129 25036 0.151% 484448 435246 1615495 1-5 20: 73 217 204 147 292 375 103 305 451 219 205 218 233 377 75 275 74 363 306 452 0.982 24.81 -7.7 95 95 93 95 451 14.9 1.345 -0.081 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3395 2508.9 2.8 scans 94% TIC 0.17% 0.200% 1925 0.7 279 153729 0.463% 2143332 2031753 4953471 4-1 0.999 26.35 -1.1 98 97 98 97 495 50.2 3.238 -0.011 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5184 2527.4 2.8 scans 88% TIC 0.74% 0.0702% 1942 0.8 167 36477 0.188% 751546 708256 2011345 0-3 0.991 26.57 -5.7 100 99 97 99 512 58.7 12.426 -0.055 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN WTF2-N1032 Sucrose 26.6320 2539.2 2.9 scans 35% TIC 13% 0.00130% 1953 0.8 29 1940 13985 12738 0-1 0.804 26.87 -24.5 81 84 66 86 451 0.0 0.000 -0.238 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1020 Sucrose 27.3927 2618.3 14.7 scans 10% 437 m/z (361) 0.045% 1.74% 2025 2.6 407 595859 1.86% 18656549 18017130 19899474 1-0 15: 437 451 438 439 452 440 322 202 289 278 336 455 292 337 467 0.780 27.46 -7.3 95 98 94 99 437 252.3 38.599 -0.068 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1014 Sucrose 27.4043 2619.6 14.6 scans 89% 361 m/z 0.0080% 16.1% 2026 1.8 1226 3372837 17.2% 172251734 166748173 184016640 1-0 20: 361 362 363 205 204 365 305 148 190 291 232 450 142 345 221 156 346 173 201 335 1.000 27.49 -9.1 100 99 99 100 437 250.9 4.217 -0.086 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1010 Sucrose 27.4306 2622.4 13.8 scans 98% 103 m/z 0.0079% 16.8% 2028 0.9 1271 3405465 18.9% 180765390 174550750 202204331 1-0 6: 103 169 143 130 269 181 1.000 27.58 -15.8 100 99 98 99 437 242.2 3.654 -0.148 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1016 Sucrose 27.4938 2629.1 >2 scans 54% 73 m/z 0.014% 1.63% 2035 2.3 884 1918423 9.39% 17490028 17490028 100460247 0-0 20: 73 217 147 103 129 169 74 75 191 148 133 149 230 117 204 157 143 131 130 59 0.747 27.48 1.8 89 89 93 94 437 14.4 0.000 0.017 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1018 Sucrose 27.5043 2630.2 >2 scans 62% 361 m/z 0.0098% 1.07% 2036 1.4 799 2743153 9.10% 11466161 11140760 97357641 0-1 20: 361 437 362 363 451 438 439 452 364 453 345 440 365 291 289 347 333 454 346 464 0.999 27.47 3.7 87 87 60 87 437 228.9 8.282 0.034 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN LQC1-N1006 Trehalose 28.3818 2725.2 2.6 scans 82% 361 m/z 0.76% 0.0330% 2119 0.9 130 35388 0.123% 353959 352803 1315933 0-1 20: 361 73 362 191 217 147 363 204 271 103 169 129 243 331 364 218 192 189 272 319 0.996 28.47 -9.7 97 95 91 98 565 0.0 0.000 -0.086 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN GUA35_L1-N1020 Galactinol 30.4599 2962.2 3.2 scans 81% 204 m/z (345) 1.3% 0.0396% 2316 0.7 103 20742 424223 389758 1-3 16: 204 217 305 205 433 129 103 218 206 306 319 642 318 265 434 169 0.990 30.55 -10.2 93 94 93 95 641 10.3 0.994 -0.085 G:\GCMS data\Nicotiana Panel polar\P_N507_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6194 3099.9 2.9 scans 80% 204 m/z 2.6% 0.0124% 2427 1.1 66 10153 0.0662% 132979 119601 708250 1-6 13: 204 597 217 205 361 129 103 598 218 206 599 191 219 0.987 31.68 -6.7 92 91 86 91 597 12.2 3.408 -0.056 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN EXBLK5S-N1006 Contamination 6.6203 1063.0 4.3 scans 53% 207 m/z 2.1% 0.0129% 51 1.2 64 13765 0.0326% 185640 179111 466230 1-1 8: 207 295 208 209 296 191 297 193 0.953 6.63 -0.3 97 97 88 97 295 20.8 10.394 -0.005 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN A-KETO~2-N1006 Contamination?? 7.9923 1144.4 3.0 scans 80% 156 m/z 3.0% 0.00763% 181 1.0 62 9668 109217 105788 8-0 6: 156 75 55 157 54 61 0.974 7.96 2.2 98 98 94 98 156 32.4 27.117 0.035 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1192 Contamination 8.0723 1149.1 2.9 scans 67% 73 m/z 5.3% 0.00466% 189 0.9 51 5467 0.00791% 66681 60000 113125 0-4 8: 73 147 133 220 235 146 86 59 0.960 7.99 4.9 93 93 86 93 235 10.2 3.969 0.083 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1188 Contamination 8.3816 1167.4 6.7 scans 90% 281 m/z 0.94% 0.0698% 218 1.8 119 31152 0.0718% 998772 845970 1026851 6-1 12: 281 147 73 369 282 283 370 265 249 266 191 207 0.997 8.41 -2.0 98 97 82 100 369 33.2 7.728 -0.033 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1186 Phosphate 8.6068 1180.8 2.7 scans 90% 241 m/z 0.59% 0.0270% 240 1.2 121 49908 386663 374443 1-1 20: 241 242 211 133 163 243 256 73 195 135 89 212 98 181 137 59 119 164 134 91 0.989 8.56 2.8 100 99 98 99 299 0.0 0.000 0.046 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1184 Valine 9.2150 1216.6 6.1 scans 76% 144 m/z (156) 2.7% 0.0125% 297 0.4 56 10678 0.0156% 178968 164716 223104 0-4 5: 144 73 218 145 219 0.964 9.19 1.6 95 97 91 96 218 16.6 8.880 0.027 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1178 Ethanolamine 10.0031 1262.7 5.7 scans 66% 174 m/z 2.7% 0.0101% 372 1.3 56 10633 0.0230% 145685 145685 328935 0-0 5: 174 175 201 117 176 0.948 10.03 -1.8 92 91 87 95 262 5.8 1.044 -0.031 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN VEN77_S6-N1002 Glycerol 10.1430 1270.9 4.4 scans 97% 299 m/z 0.022% 1.10% 386 0.5 620 1283025 15765267 15761903 1-0 20: 299 300 73 314 301 211 133 283 315 207 193 191 135 147 316 302 225 74 181 115 0.996 10.09 2.9 100 98 95 100 299 373.4 36.455 0.049 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN A-AMYRIN-N1012 Contamination?? 10.2651 1278.1 2.4 scans 74% 73 m/z 3.2% 0.00415% 397 1.0 52 9110 59411 57094 0-1 6: 73 198 211 77 70 199 0.956 10.24 1.5 92 92 88 92 381 5.6 1.189 0.025 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1176 Isoleucine 10.4545 1289.1 3.4 scans 44% 158 m/z 1.9% 0.00751% 415 0.7 54 15397 0.0106% 107495 97174 151596 3-0 6: 158 218 159 100 160 219 0.966 10.46 -0.3 89 89 66 89 260 5.3 0.962 -0.005 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1003 Isoleucine 10.4555 1289.2 >4 scans 75% TIC 1.9% 0.0125% 415 0.8 71 15397 0.245% 179392 138249 3503877 4-0 0.978 10.45 0.6 98 98 94 98 232 10.4 2.165 0.011 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1012 Proline 10.5418 1294.3 3.5 scans 89% 142 m/z 0.17% 0.0945% 423 0.6 203 172021 0.764% 1352549 1352549 10926376 0-0 20: 142 73 143 216 147 144 72 75 74 59 66 217 170 68 99 100 70 148 133 140 0.993 10.53 0.5 100 99 99 100 216 38.0 3.506 0.009 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1172 Maleic acid 10.6207 1298.9 2.8 scans 95% 147 m/z 0.10% 0.163% 431 0.8 296 273489 0.856% 2345352 2224976 12242118 0-5 20: 147 73 245 148 75 83 149 133 74 246 84 143 115 59 170 247 126 72 58 53 0.996 10.62 -0.2 97 96 97 99 245 65.4 4.883 -0.003 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1170 Glycine 10.6744 1302.1 4.6 scans 30% 174 m/z 4.4% 0.00412% 436 0.6 35 6576 0.0162% 59038 54776 231685 1-0 5: 174 248 175 176 276 0.936 10.69 -0.7 82 82 55 84 276 6.9 3.875 -0.013 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7680 1307.7 2.8 scans 97% TIC 0.022% 0.792% 445 0.7 629 1289601 11339331 10961717 1-1 0.994 10.76 0.6 99 97 96 99 251 146.4 5.438 0.010 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1168 Glyceric acid 11.0416 1324.2 2.4 scans 98% 73 m/z 0.040% 0.693% 471 0.7 641 730411 9919078 9910335 1-0 20: 73 147 292 189 133 103 205 293 102 117 148 190 307 75 74 294 59 149 101 191 1.000 11.05 -0.7 100 99 99 100 292 195.1 9.281 -0.012 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0974 1327.5 >3 scans 73% TIC 8.1% 0.00324% 476 1.6 47 3623 0.533% 46391 45551 7622721 0-1 0.974 11.06 2.0 94 95 87 95 285 14.9 9.997 0.034 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1018 Uracil 11.1563 1331.1 2.7 scans 53% 241 m/z 15% 0.00131% 482 1.1 27 1849 18781 18781 1-0 4: 241 255 256 99 0.901 11.15 0.5 92 93 91 96 256 9.6 12.843 0.008 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1162 Fumaric acid 11.3720 1344.1 2.7 scans 96% 245 m/z 0.21% 0.0970% 502 1.0 228 139578 1388460 1349702 2-1 20: 245 147 73 246 75 143 83 247 133 148 149 115 84 74 53 155 61 240 59 127 0.996 11.39 -1.2 100 99 97 99 245 123.1 29.153 -0.021 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4667 1349.8 >4 scans 83% TIC 2.2% 0.00921% 511 1.0 67 12910 0.161% 131733 131733 2302548 0-0 0.985 11.45 1.3 93 91 95 96 145 17.2 6.614 0.021 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1160 Serine 11.5151 1352.7 2.7 scans 95% TIC 0.39% 0.0755% 516 1.0 203 75558 0.181% 1080108 1032316 2588579 0-1 0.994 11.56 -2.5 99 98 97 98 306 20.1 0.978 -0.042 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN BRA4_R~2-N1008 Thymine 11.5982 1357.7 3.3 scans 45% 255 m/z 14% 0.000873% 524 1.1 20 2029 12484 12484 0-0 3: 255 270 256 0.984 11.58 0.9 95 97 83 97 270 7.8 15.364 0.014 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1024 Threonine 11.9202 1377.1 2.9 scans 91% 73 m/z 1.0% 0.0287% 554 1.1 119 28159 410681 396664 1-1 20: 73 218 219 117 291 292 147 101 57 220 100 74 293 203 128 132 75 133 202 320 0.994 11.92 -0.0 97 95 95 99 320 9.9 0.690 -0.001 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN N406_R~1-N1016 b-Alanine 12.6041 1419.1 2.8 scans 74% 248 m/z 5.4% 0.00651% 620 1.1 57 5401 93144 92458 0-3 9: 248 174 290 249 86 250 133 175 100 0.963 12.60 0.1 96 95 92 99 304 4.7 0.665 0.002 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1148 Glutamine?? 13.3007 1463.0 3.4 scans 70% 155 m/z 2.6% 0.00771% 686 0.9 58 11148 110288 105065 1-1 3: 155 139 229 0.951 13.35 -2.9 95 96 89 95 257 5.2 0.793 -0.046 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1146 Malic acid 13.6111 1482.5 6.7 scans 99% 74 m/z 0.010% 6.17% 715 0.2 1188 2710750 88313755 88281966 1-0 20: 74 150 76 309 102 321 236 248 56 338 77 206 69 67 237 86 339 423 97 311 0.999 13.62 -0.3 100 100 100 100 350 32.2 0.074 -0.006 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1026 Malic acid 13.6153 1482.8 6.3 scans 69% 147 m/z (305) 0.010% 4.28% 716 0.2 1025 2842693 61283915 61266736 1-0 20: 147 73 233 245 189 190 133 335 175 148 191 75 234 265 307 149 217 306 101 55 0.901 13.53 5.2 83 93 81 85 335 89.8 0.000 0.082 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1142 Erythritol/Threitol 13.8373 1496.7 3.0 scans 81% TIC 1.8% 0.0120% 737 1.5 86 16219 0.0334% 171999 171999 477671 0-0 0.982 13.89 -3.4 90 87 91 97 320 7.1 0.678 -0.053 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1028 Aspartic acid 14.0267 1509.1 2.6 scans 27% 232 m/z 0.67% 0.0225% 755 1.3 107 43558 322169 283479 1-3 15: 232 233 218 100 234 202 188 334 130 292 204 349 235 293 177 0.973 14.02 0.6 95 95 91 97 258 5.1 0.000 0.010 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1140 Aspartic acid 14.0267 1509.1 2.6 scans 28% 232 m/z (156) 0.67% 0.0242% 755 1.3 109 43745 347355 305639 1-3 15: 232 233 218 100 234 202 188 334 130 292 204 349 235 293 177 0.720 14.09 -4.0 91 96 53 93 349 7.9 0.535 -0.060 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0625 1511.5 3.2 scans 95% TIC 0.084% 0.272% 758 0.5 337 350034 3900765 3782377 1-1 0.996 14.11 -3.2 95 92 95 99 273 13.5 0.161 -0.048 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN BRA4_R~2-N1002 4-Hydroxy Proline 14.1235 1515.5 2.6 scans 4.7% 230 m/z 10% 0.00102% 764 1.2 24 2861 0.0188% 14680 14680 268869 0-0 1: 230 0.977 14.11 0.7 84 90 65 96 230 17.6 53.086 0.011 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1134 GABA 14.1950 1520.3 2.8 scans 87% 174 m/z (226) 0.24% 0.108% 771 0.9 230 120449 0.150% 1557416 1427978 2145231 0-10 20: 174 304 73 147 175 305 75 86 176 216 306 100 59 246 172 133 143 148 130 74 0.999 14.24 -3.1 97 98 97 98 304 70.4 9.389 -0.047 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1032 GABA 14.1950 1520.3 2.9 scans 91% TIC 0.24% 0.113% 771 0.9 236 120472 0.490% 1620626 1516585 7007755 0-2 0.995 14.19 0.5 99 98 97 98 304 71.2 9.097 0.007 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3581 1531.1 2.9 scans 80% 73 m/z 1.3% 0.0198% 786 1.0 100 22415 0.0929% 284371 261708 1328613 0-1 20: 73 292 147 220 293 205 117 217 294 221 103 133 291 74 206 102 149 409 222 319 0.981 14.62 -17.5 96 95 92 96 409 8.2 0.675 -0.263 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6138 1548.1 2.6 scans 98% 73 m/z 0.066% 0.420% 810 0.9 475 439923 6016683 5937590 1-0 20: 73 292 147 205 220 293 217 117 103 221 294 148 133 74 319 102 75 149 291 206 0.998 14.69 -5.1 100 99 98 99 409 34.9 0.542 -0.078 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3809 1598.9 3.2 scans 70% 217 m/z 1.6% 0.0128% 883 1.2 70 18076 183207 163099 3-2 7: 217 218 219 129 230 103 215 0.972 15.44 -4.1 95 95 91 95 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1120 Glutamic acid 15.4955 1606.8 2.7 scans 78% TIC 2.4% 0.00944% 894 0.8 70 12184 0.0278% 135070 115271 397583 1-1 0.986 15.56 -4.5 96 96 91 96 363 7.4 1.128 -0.064 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1118 Phenylalanine 15.6008 1614.2 2.7 scans 48% 218 m/z 1.8% 0.00932% 904 1.4 71 15758 133312 133303 0-1 7: 218 192 219 91 266 220 65 0.763 15.66 -4.0 90 91 62 91 294 6.3 0.791 -0.058 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1040 Xylose 16.0027 1642.1 3.3 scans 88% 73 m/z 0.67% 0.0448% 942 1.3 147 43849 0.110% 641085 638405 1573169 0-1 20: 73 103 217 307 147 160 308 189 277 309 218 74 133 117 104 75 205 89 204 148 0.991 16.00 -0.0 95 91 95 99 307 38.7 6.888 -0.001 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1042 Ribose 16.1037 1649.1 6.1 scans 73% TIC 1.1% 0.0351% 952 1.8 105 26691 0.138% 503048 503048 1973612 0-0 0.914 16.10 0.1 94 92 93 97 307 26.3 6.293 0.001 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2216 1657.3 3.9 scans 42% 290 m/z 1.3% 0.0128% 963 1.9 69 21930 183834 178567 1-2 6: 290 291 392 292 158 144 0.700 16.28 -3.8 96 97 72 98 392 12.0 3.037 -0.054 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6109 1684.3 3.9 scans 81% TIC 2.3% 0.0147% 1000 1.7 81 12304 0.0245% 211442 211404 350388 1-0 0.981 16.68 -4.5 97 97 93 97 497 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9402 1707.5 >5 scans 66% 73 m/z 2.3% 0.0136% 1032 0.9 78 12612 0.0886% 194730 194730 1267116 0-0 12: 73 117 217 103 147 307 319 205 118 129 189 320 0.925 16.99 -3.6 91 91 89 91 422 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0023 1712.1 4.6 scans 81% TIC 1.2% 0.0384% 1037 1.2 118 24469 0.139% 549292 549292 1987914 0-0 0.985 17.06 -4.4 86 84 78 90 510 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1096 Putrescine 17.1864 1725.5 3.4 scans 59% 174 m/z 0.75% 0.0215% 1055 1.2 97 38818 307848 300163 0-2 18: 174 175 214 172 86 176 200 59 130 361 100 173 215 114 99 142 187 126 0.986 17.25 -4.5 98 96 95 98 458 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1044 Putrescine 17.1864 1725.5 3.4 scans 68% 174 m/z (73) 0.75% 0.0250% 1055 1.2 104 38795 358115 349176 0-2 18: 174 175 214 172 86 176 200 59 130 361 100 173 215 114 99 142 187 126 0.992 17.19 -0.1 97 98 97 99 376 7.2 0.478 -0.002 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3842 1739.9 >6 scans 64% TIC 3.3% 0.0118% 1074 1.4 67 8807 0.204% 170077 170077 2917514 0-0 0.953 17.44 -4.4 93 94 88 93 511 4.3 0.423 -0.059 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5663 1753.2 3.5 scans 93% 217 m/z 0.11% 0.208% 1091 1.0 306 246466 0.356% 2976849 2900423 5091348 1-3 20: 217 73 218 147 219 75 74 230 189 215 133 129 103 244 149 231 148 130 191 220 0.997 17.63 -4.8 92 90 93 93 450 25.4 0.690 -0.066 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7115 1763.8 8.3 scans 73% TIC 0.67% 0.0710% 1105 0.4 158 43986 0.144% 1015684 1015684 2059422 0-0 0.988 17.70 0.9 94 94 92 94 375 18.3 1.347 0.012 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1046 Shikimic acid 18.1355 1794.8 5.1 scans 70% 204 m/z (333) 0.53% 0.0985% 1145 1.1 168 55087 0.105% 1409303 1338163 1501662 2-6 14: 204 357 255 206 372 254 356 358 282 331 167 283 374 181 0.983 18.13 0.8 87 84 87 98 372 17.5 1.087 0.011 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1082 Citric acid 18.2491 1803.2 4.1 scans 86% 73 m/z 0.42% 0.112% 1156 1.3 198 68761 0.192% 1613072 1400596 2745896 0-10 20: 73 273 147 375 347 363 274 465 211 75 364 149 74 148 348 466 305 133 221 257 0.979 18.32 -5.5 98 97 95 98 465 29.2 2.180 -0.072 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1076 Pregnane?? 18.8194 1846.7 10.3 scans 96% 345 m/z 0.010% 8.84% 1210 1.4 1187 2945822 126442886 120869801 1-1 20: 345 73 346 255 147 347 334 256 191 204 435 419 372 257 133 348 148 74 75 335 0.998 18.86 -3.0 100 100 99 100 537 90.1 0.579 -0.039 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1072 Fructose 19.0667 1865.6 >13 scans 99% 73 m/z 0.010% 13.2% 1234 0.4 1317 2729695 32.5% 189303280 183354630 464800044 1-0 8: 73 74 89 75 59 134 130 101 0.999 19.03 2.6 99 98 98 99 364 143.9 1.199 0.034 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1052 Fructose 19.1982 1875.6 >4 scans 43% 217 m/z 0.032% 1.58% 1246 1.4 865 919295 18.9% 22705510 22705510 270299102 0-0 19: 217 147 205 133 191 206 163 231 142 90 305 135 203 246 118 230 254 358 186 0.999 19.10 7.2 98 97 96 97 364 102.7 1.415 0.094 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1070 Fructose 19.2393 1878.7 >4 scans 100% 366 m/z 0.010% 4.20% 1250 0.5 1324 2908472 36.3% 60084674 60084674 519145895 0-0 20: 366 390 303 76 523 106 293 467 557 525 345 258 571 107 227 197 435 406 558 153 1.000 19.19 3.4 98 97 98 98 554 58.3 0.194 0.045 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1056 Glucose 19.3876 1890.1 11.6 scans 81% 204 m/z 0.012% 6.77% 1264 1.2 1199 2390187 9.79% 96921463 93799900 140012075 2-0 20: 204 364 305 365 343 300 186 308 263 464 292 375 208 376 222 245 192 175 448 193 1.000 19.33 4.3 100 99 99 99 364 86.2 0.519 0.056 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1064 Mannose 19.4097 1891.7 >10 scans 93% 147 m/z 0.011% 11.1% 1266 1.0 1314 2538939 12.6% 159268638 156906345 180199402 1-0 13: 147 149 219 104 131 221 246 134 106 259 302 150 211 1.000 19.45 -3.5 100 99 98 99 319 525.2 16.033 -0.045 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1066 Glucose 19.4592 1895.5 >3 scans 32% 219 m/z (103) 0.014% 1.06% 1271 0.9 737 2002233 4.37% 15196789 15196789 62497729 0-0 20: 219 256 222 302 303 554 178 367 449 346 211 153 421 379 348 394 65 479 409 108 0.767 19.40 4.6 87 91 50 91 319 466.4 40.385 0.060 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1059 Glucose 19.6359 1909.5 3.6 scans 96% 73 m/z 0.011% 4.41% 1288 0.4 1346 2548127 63164977 57641063 3-1 20: 73 319 205 147 160 103 320 217 206 321 133 117 229 74 157 129 189 148 161 89 0.999 19.55 6.8 100 98 98 99 376 54.7 0.166 0.084 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1061 Lysine 19.6928 1914.0 3.1 scans 25% 317 m/z 8.1% 0.00494% 1293 1.0 50 3635 0.0327% 70723 66865 467660 0-1 5: 317 174 156 128 318 0.891 19.61 6.4 85 87 81 90 434 6.3 1.609 0.080 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7969 1922.4 >3 scans 71% TIC 0.74% 0.0316% 1303 1.5 145 39674 0.147% 452271 452271 2102326 0-0 0.983 19.79 0.2 96 95 90 95 333 63.0 18.926 0.003 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN N406_R~2-N1016 Galacturonic acid 19.8800 1929.1 2.9 scans 13% 333 m/z 4.4% 0.00256% 1311 1.0 40 6580 0.0194% 36630 36630 277450 0-0 4: 333 334 335 423 0.815 19.79 7.0 88 91 84 92 423 7.0 3.138 0.087 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN D-GLUC~2-N1028 Glucoronic acid STD 19.9895 1937.9 2.9 scans 32% 333 m/z (307) 4.6% 0.00488% 1321 0.9 51 6310 0.0408% 69852 69852 583503 0-0 4: 333 334 292 335 0.847 19.99 -0.2 80 83 72 90 333 23.3 21.076 -0.003 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2925 1962.3 2.5 scans 94% 204 m/z 0.15% 0.145% 1350 1.0 295 187533 2080893 1966877 1-2 20: 204 73 191 147 205 217 206 192 74 218 129 133 75 189 148 103 193 117 149 131 0.999 20.41 -9.7 99 98 98 99 217 61.9 4.401 -0.121 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1050 Gluconic acid 20.5724 1984.8 3.2 scans 67% TIC 3.0% 0.00906% 1377 1.2 74 9718 0.0653% 129687 116698 933891 0-2 0.946 20.65 -6.1 88 88 81 88 613 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN WTF2-N1038 C16:0 21.1437 2032.1 2.6 scans 85% TIC 1.8% 0.0190% 1431 1.0 108 16284 0.0195% 272269 265392 278880 1-1 0.976 20.62 43.8 90 97 94 97 328 11.7 1.155 0.527 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.7077 2079.5 8.3 scans 100% 432 m/z 0.013% 10.2% 1485 0.9 1390 2250908 146932434 146895199 1-0 5: 432 507 369 435 345 0.999 21.75 -3.4 100 99 99 99 507 102.2 0.542 -0.041 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1044 myo-Inositol 21.7309 2081.4 7.9 scans 21% 367 m/z (73) 0.040% 2.13% 1487 0.2 648 719742 30507437 30378957 1-0 20: 367 308 292 294 105 420 408 391 323 332 246 241 378 397 237 97 270 186 247 273 0.720 21.77 -3.0 88 96 69 94 612 36.1 0.310 -0.036 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN INOSIT~1-N1022 myo-Inositol 21.7309 2081.4 7.9 scans 9.5% 367 m/z (305) 0.11% 0.971% 1487 0.2 437 263145 13898189 13839658 1-0 20: 367 308 292 294 105 420 408 391 323 332 246 241 378 397 237 97 270 186 247 273 0.915 21.74 -0.9 88 92 62 93 507 102.3 5.472 -0.010 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1042 myo-Inositol 21.7382 2082.0 7.6 scans 67% 73 m/z (367) 0.012% 6.71% 1488 0.2 1188 2321189 95985744 94598260 1-0 20: 73 217 305 147 191 318 306 204 265 319 218 133 129 148 192 74 219 103 291 221 0.910 21.77 -3.1 85 93 78 87 318 256.6 0.000 -0.036 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1040 myo-Inositol 21.7382 2082.0 7.6 scans 60% 73 m/z (307) 0.012% 6.06% 1488 0.2 1129 2321189 86744816 85490911 1-0 20: 73 217 305 147 191 318 306 204 265 319 218 133 129 148 192 74 219 103 291 221 0.834 21.78 -3.6 92 93 96 95 378 11.3 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8645 2092.6 3.0 scans 93% 73 m/z 0.17% 0.220% 1500 0.9 319 166708 5.59% 3158458 2807925 79945608 5-3 20: 73 319 205 147 320 217 103 262 321 117 204 206 74 133 229 89 148 157 129 263 0.999 21.93 -5.5 96 93 97 99 656 7.5 0.055 -0.066 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1928 2121.0 2.6 scans 78% 73 m/z (262) 0.18% 0.159% 1531 1.2 297 162217 0.214% 2280589 2156297 3060530 1-0 20: 73 396 219 319 397 205 381 147 320 398 103 191 220 307 217 382 75 321 74 133 0.939 22.19 0.5 90 91 82 96 396 109.2 13.524 0.007 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1032 trans-Caffeic acid 22.1928 2121.0 2.6 scans 93% 73 m/z 0.19% 0.183% 1531 1.2 326 153509 0.245% 2619555 2476790 3503877 1-0 20: 73 396 219 319 397 205 381 147 320 398 103 191 220 307 217 382 75 321 74 133 0.999 22.25 -5.0 94 91 89 97 396 107.8 10.942 -0.057 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6505 2161.0 3.4 scans 88% 204 m/z 0.84% 0.0314% 1574 1.2 120 34981 0.0523% 450423 417681 747971 4-0 17: 204 73 205 147 217 206 117 131 191 218 362 75 103 129 219 189 133 0.987 22.71 -5.5 96 94 95 99 518 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN WTF2-N1036 C18:0 23.3828 2226.1 2.8 scans 84% 341 m/z 2.4% 0.0167% 1644 1.2 92 11946 0.0173% 239789 212709 247417 1-5 19: 341 117 75 132 129 342 145 55 57 356 201 69 343 118 131 56 83 67 297 0.991 22.89 44.3 90 96 92 96 356 11.9 1.676 0.494 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1057 2292.2 >3 scans 64% TIC 5.6% 0.00260% 1713 1.0 42 5221 0.0113% 37264 34526 161607 1-0 0.931 24.01 8.7 84 84 79 87 490 0.0 0.000 0.096 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6349 2342.2 3.1 scans 92% 73 m/z 0.46% 0.103% 1763 0.6 203 63840 1485781 1376365 3-1 20: 73 331 147 191 217 421 262 205 307 103 319 259 305 332 422 333 74 376 306 218 0.997 24.65 -1.4 99 98 98 99 466 13.4 0.435 -0.015 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7275 2351.0 2.6 scans 94% 73 m/z 0.44% 0.0841% 1772 1.0 217 65577 1202936 1129597 1-3 20: 73 217 204 147 292 375 305 103 451 219 218 205 129 333 74 293 376 363 233 306 0.999 24.81 -7.4 98 97 97 97 451 26.0 1.429 -0.077 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5184 2527.4 3.7 scans 77% TIC 0.65% 0.0713% 1942 1.5 169 44669 0.0946% 1020633 954785 1352926 1-1 0.873 26.57 -5.7 99 98 92 99 512 56.0 10.920 -0.055 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1020 Sucrose 27.3927 2618.3 11.8 scans 11% 437 m/z (361) 0.051% 1.21% 2025 1.9 434 568493 1.32% 17421980 16691009 18878033 1-0 20: 437 451 438 439 452 359 71 453 333 202 435 248 464 367 465 279 525 467 160 468 0.698 27.46 -7.3 93 94 81 99 437 248.5 32.862 -0.068 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1010 Sucrose 27.3969 2618.8 11.6 scans 99% 362 m/z 0.0085% 11.7% 2025 1.9 1304 3450274 167658490 161721504 1-1 18: 362 363 439 332 345 454 150 202 435 220 248 373 292 201 421 279 374 433 0.998 27.58 -19.4 100 99 98 99 437 251.0 3.728 -0.182 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1014 Sucrose 27.4075 2619.9 11.5 scans 91% TIC 0.0083% 9.58% 2026 1.0 1259 3518566 11.2% 137113774 131367777 160177246 1-0 1.000 27.49 -8.8 100 99 99 100 437 255.5 4.147 -0.083 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1018 Sucrose 27.4138 2620.6 11.2 scans 73% 147 m/z (217) 0.0083% 8.01% 2027 0.8 1130 3538639 9.32% 114606963 109485137 133290351 1-0 20: 147 219 244 205 245 257 221 157 170 241 163 227 294 304 207 208 260 308 87 184 0.971 27.47 -5.9 86 88 72 87 437 253.6 5.063 -0.056 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1016 Sucrose 27.4538 2624.8 >3 scans 57% 219 m/z (361) 0.014% 2.13% 2031 1.3 951 2000841 7.06% 30490691 28610528 100968871 0-1 20: 219 229 273 292 293 258 141 265 199 207 274 255 260 356 279 565 213 237 95 91 0.980 27.48 -2.5 89 90 94 92 437 15.0 0.000 -0.023 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1008 Sucrose 27.4622 2625.7 10.9 scans 56% 73 m/z 0.014% 1.39% 2032 2.3 952 1987310 6.09% 19991701 19991701 87096377 0-0 20: 73 217 103 147 129 169 74 243 75 191 117 148 189 133 230 131 157 205 204 149 0.713 27.59 -13.8 87 98 57 87 437 147.8 0.000 -0.129 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN LQC1-N1006 Trehalose 28.3702 2723.9 3.2 scans 54% TIC 3.4% 0.00314% 2118 1.4 53 8429 0.0650% 44958 44958 929600 0-0 0.929 28.47 -11.0 92 93 78 93 565 0.0 0.000 -0.098 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN GUA35_L1-N1020 Galactinol 30.5925 2978.0 2.8 scans 88% TIC 1.1% 0.0183% 2329 1.1 103 24757 0.0298% 263116 239444 426186 2-0 0.997 30.55 5.6 82 80 91 82 641 0.0 0.000 0.047 G:\GCMS data\Nicotiana Panel polar\P_N521_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6384 3102.2 4.5 scans 49% 204 m/z 4.1% 0.00824% 2429 0.9 51 7154 0.0861% 117923 107513 1231363 0-7 8: 204 91 217 597 205 129 361 218 0.899 31.68 -4.4 87 87 67 88 597 9.5 3.435 -0.037 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN EXBLK5S-N1006 Contamination 6.3983 1049.9 4.4 scans 51% 207 m/z 2.7% 0.0275% 30 1.0 57 9371 174977 128104 8-5 9: 207 295 208 209 296 191 279 193 297 0.914 6.63 -13.4 95 95 85 96 295 19.0 10.922 -0.227 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN A-KETO~2-N1006 Contamination?? 8.0239 1146.2 2.6 scans 82% 156 m/z 2.0% 0.0192% 184 1.1 75 12624 122205 120292 4-0 8: 156 75 55 54 157 61 76 158 0.995 7.96 4.0 98 98 96 98 156 39.6 27.560 0.067 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1192 Contamination 8.1028 1150.9 2.7 scans 70% 73 m/z 3.8% 0.0136% 192 0.8 61 6772 0.0168% 86378 80236 106526 0-2 14: 73 147 133 220 235 148 59 146 72 103 100 86 174 160 0.963 7.99 6.7 94 94 88 94 235 11.8 3.662 0.114 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1188 Contamination 8.3901 1167.9 5.9 scans 87% 281 m/z 1.5% 0.0722% 219 2.0 93 17022 0.0786% 458013 395751 498389 6-10 11: 281 73 147 369 265 283 282 370 207 250 372 0.990 8.41 -1.5 99 98 83 99 369 25.6 7.663 -0.025 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1186 Phosphate 8.6247 1181.8 2.3 scans 80% 241 m/z 1.7% 0.0146% 241 1.3 69 15175 92987 87842 1-1 8: 241 242 163 133 256 135 195 137 0.976 8.56 3.8 97 96 91 98 299 0.0 0.000 0.064 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1184 Valine 9.2340 1217.7 6.9 scans 64% 144 m/z 5.2% 0.0110% 299 0.3 38 5004 0.0167% 70188 68153 105892 3-2 3: 144 218 73 0.974 9.19 2.7 93 93 85 93 218 11.8 9.806 0.046 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1180 Benzoic acid 9.7948 1250.5 3.7 scans 50% 179 m/z 13% 0.00535% 352 0.6 29 1949 0.00603% 33953 29044 38235 10-0 4: 179 105 135 77 0.955 9.76 2.0 92 95 86 95 194 5.5 3.499 0.036 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1178 Ethanolamine 10.0178 1263.6 5.5 scans 65% TIC 5.9% 0.00923% 374 0.9 43 4369 0.610% 58565 58565 3867906 0-0 0.954 10.03 -0.9 81 77 74 90 262 3.9 0.837 -0.016 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN VEN77_S6-N1002 Glycerol 10.1146 1269.3 2.7 scans 96% 299 m/z 0.039% 0.855% 383 0.7 484 658949 5424065 5237188 1-1 19: 299 300 73 314 301 211 133 283 315 207 193 135 191 316 302 225 74 181 115 0.997 10.09 1.3 100 99 96 100 299 286.1 35.007 0.021 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1176 Isoleucine 10.4619 1289.6 3.4 scans 59% 158 m/z 5.4% 0.00705% 416 0.6 37 4812 44722 44373 2-0 3: 158 159 218 0.924 10.46 0.2 94 95 85 94 260 0.0 0.000 0.003 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1174 Proline 10.5482 1294.6 3.5 scans 31% 142 m/z 4.6% 0.00473% 424 0.5 31 5634 0.0105% 30047 30047 66579 0-0 3: 142 143 216 0.589 10.55 0.2 80 87 62 90 142 26.5 73.191 0.003 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1014 Maleic acid 10.6281 1299.3 2.6 scans 95% TIC 0.10% 0.359% 432 1.0 305 259929 1.37% 2278347 2141937 8686936 1-1 0.997 10.60 1.5 98 97 98 99 245 68.4 5.029 0.026 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1170 Glycine 10.6849 1302.7 >4 scans 69% TIC 1.3% 0.0216% 437 0.7 88 18947 1.02% 136994 136994 6467646 0-0 0.990 10.69 -0.1 98 98 94 98 276 13.9 2.514 -0.002 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7680 1307.7 2.7 scans 95% TIC 0.037% 0.959% 445 1.0 502 702901 1.31% 6085502 5649721 8306486 2-1 0.989 10.76 0.6 99 98 96 100 251 114.8 5.240 0.010 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1168 Glyceric acid 11.0343 1323.7 2.5 scans 95% 73 m/z 0.35% 0.152% 470 1.0 210 74166 966586 899164 4-1 20: 73 147 189 292 133 293 103 190 205 102 117 148 74 75 307 294 101 59 149 191 0.995 11.05 -1.2 100 99 98 99 292 60.5 8.273 -0.020 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.1037 1327.9 2.5 scans 75% 184 m/z 6.7% 0.00900% 477 1.0 53 3909 0.0166% 57124 56690 105258 1-0 10: 184 134 285 174 77 185 86 100 59 286 0.962 11.06 2.4 97 97 89 97 285 16.8 10.158 0.041 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1018 Uracil 11.1574 1331.1 2.6 scans 53% 241 m/z 12% 0.00344% 482 1.2 33 2119 0.00348% 21825 21825 22066 0-0 5: 241 99 255 256 242 0.881 11.15 0.5 93 94 91 97 256 10.9 11.246 0.009 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1164 Itaconic acid 11.2331 1335.7 2.5 scans 74% 147 m/z 3.3% 0.00891% 489 1.1 53 7760 0.0103% 56521 54457 65311 1-1 5: 147 215 259 149 148 0.950 11.25 -1.2 93 93 87 93 259 10.2 3.658 -0.019 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1162 Fumaric acid 11.3794 1344.5 2.4 scans 97% 245 m/z 0.12% 0.265% 503 0.9 292 203478 1686514 1645419 2-1 20: 245 147 73 246 75 143 83 247 149 133 148 115 155 74 84 53 59 157 127 61 1.000 11.39 -0.8 100 99 99 99 245 159.0 29.604 -0.014 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4730 1350.2 4.0 scans 60% 57 m/z (204) 1.9% 0.0251% 512 0.7 69 13559 0.0410% 159738 159738 259974 0-0 9: 57 97 145 127 115 69 56 129 111 0.993 11.45 1.7 90 91 92 95 145 19.4 7.821 0.027 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN WTF2-N1024 Contamination 10.96min 11.4972 1351.6 3.0 scans 55% 84 m/z (204) 0.97% 0.0439% 514 1.3 102 26748 278388 266125 5-2 19: 84 162 161 92 82 51 65 78 85 63 91 104 64 120 106 62 93 80 81 0.964 10.96 32.6 90 94 95 99 161 24.6 5.762 0.541 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1160 Serine 11.5214 1353.1 3.0 scans 86% TIC 0.28% 0.260% 517 0.5 235 91344 0.494% 1654479 1566489 3132370 3-1 0.953 11.56 -2.1 99 98 95 98 306 23.6 1.011 -0.036 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1020 Serine 11.5225 1353.1 2.6 scans 89% 204 m/z 0.27% 0.209% 517 0.9 239 96995 1328291 1287430 2-1 20: 204 73 218 205 147 100 278 219 206 75 306 74 116 59 220 216 189 279 103 148 0.979 11.51 0.5 100 99 98 100 306 24.4 1.048 0.009 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1154 Threonine 11.9244 1377.3 2.7 scans 87% 73 m/z 1.8% 0.0305% 555 1.1 91 13940 0.0327% 193980 174116 207345 6-4 19: 73 218 219 117 291 292 101 220 147 100 57 203 132 128 293 74 129 133 202 0.994 11.96 -2.2 97 96 93 97 320 8.1 0.790 -0.036 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1148 Glutamine?? 13.2944 1462.6 2.7 scans 60% 155 m/z 1.6% 0.0205% 685 1.1 77 16274 0.0224% 130162 129742 142035 1-0 5: 155 229 139 59 100 0.828 13.35 -3.3 89 92 82 95 257 6.1 0.625 -0.053 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1146 Malic acid 13.5953 1481.5 4.5 scans 98% 73 m/z 0.010% 8.95% 714 0.2 1226 2558067 56807418 56416092 1-0 20: 73 147 233 245 133 189 190 148 335 175 191 75 234 101 74 55 149 217 265 307 0.999 13.62 -1.3 100 100 100 100 350 33.2 0.074 -0.022 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1144 Contamination Parabanica acid 13.7584 1491.8 2.8 scans 38% 243 m/z 23% 0.00241% 729 1.1 25 1114 0.00256% 15309 15309 16233 0-0 3: 243 100 115 0.885 13.81 -3.0 82 87 65 86 243 11.5 20.563 -0.048 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1028 Aspartic acid 14.0204 1508.7 2.5 scans 31% 232 m/z 0.84% 0.0321% 754 1.4 98 30853 204025 201655 0-1 13: 232 233 218 100 234 188 202 216 219 204 130 334 292 0.934 14.02 0.2 95 95 90 97 258 4.7 0.000 0.003 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0467 1510.5 3.3 scans 95% 156 m/z (232) 0.16% 0.269% 757 0.7 244 161739 1710291 1672246 1-0 18: 156 73 147 157 258 230 158 231 259 72 59 148 58 112 140 86 55 133 0.995 14.11 -4.2 96 96 96 98 273 9.9 0.164 -0.063 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0467 1510.5 3.9 scans 92% TIC 0.17% 0.287% 757 0.6 240 150757 1820874 1791145 1-0 0.987 14.03 1.2 99 98 99 99 258 46.3 3.711 0.017 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1032 GABA 14.1888 1519.9 3.1 scans 83% TIC 1.4% 0.0491% 770 2.0 99 17558 0.350% 311393 263007 2219290 7-1 0.965 14.19 0.1 97 97 94 97 304 29.4 8.791 0.001 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3582 1531.1 >5 scans 81% TIC 2.9% 0.0234% 786 1.6 65 8799 0.127% 148996 145053 805285 0-2 0.978 14.62 -17.5 88 88 86 89 409 3.1 0.224 -0.263 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6043 1547.4 2.8 scans 78% TIC 2.5% 0.0213% 810 1.6 69 10159 0.0340% 135662 108623 215588 4-2 0.972 14.69 -5.8 88 88 83 88 409 5.3 0.589 -0.088 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3714 1598.3 2.7 scans 73% TIC 2.5% 0.00939% 882 1.8 57 10198 0.0426% 59539 59539 270119 0-0 0.973 15.44 -4.7 93 93 88 93 393 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1036 Glutamic acic 15.4966 1606.9 2.5 scans 45% 246 m/z 11% 0.00218% 894 1.1 26 2203 13823 13823 0-0 2: 246 247 0.947 15.50 -0.5 91 93 82 92 363 0.0 0.000 -0.006 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1118 Phenylalanine 15.5976 1613.9 2.7 scans 73% 218 m/z (267) 3.0% 0.0196% 904 1.2 74 8592 124310 117859 1-1 8: 218 192 91 219 100 220 266 65 0.921 15.66 -4.3 92 95 86 97 294 5.1 0.489 -0.061 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1038 Xylose 15.8807 1633.6 6.0 scans 79% TIC 3.1% 0.0152% 931 1.3 62 8404 0.110% 96486 96486 697491 0-0 0.982 15.89 -0.6 93 91 89 95 307 16.2 6.750 -0.009 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1040 Xylose 15.9964 1641.6 2.6 scans 90% 73 m/z 0.78% 0.0608% 942 1.0 136 33396 385846 372171 1-1 20: 73 103 307 217 147 189 308 133 160 218 277 74 117 309 104 89 205 233 59 204 0.983 16.00 -0.5 97 96 96 98 307 37.6 7.589 -0.008 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1042 Ribose 16.0943 1648.4 2.5 scans 87% 73 m/z 1.3% 0.0355% 951 1.0 103 20009 0.112% 225473 203878 710173 3-4 20: 73 103 217 307 147 308 277 160 133 189 104 218 105 74 89 309 117 233 219 75 0.992 16.10 -0.6 95 93 94 98 307 28.5 7.708 -0.009 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2174 1657.0 2.9 scans 86% TIC 1.0% 0.0326% 963 2.1 88 24913 0.0697% 207058 191895 441956 1-0 0.993 16.28 -4.1 99 98 96 99 392 14.4 2.697 -0.059 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1108 Ribose 16.3058 1663.1 >8 scans 83% TIC 2.4% 0.0343% 971 0.5 71 10792 0.0671% 217946 217946 425470 0-0 0.953 16.38 -4.8 91 91 87 93 467 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6035 1683.8 3.2 scans 77% TIC 3.6% 0.0178% 1000 2.0 66 7139 0.0352% 113333 113333 223197 0-0 0.966 16.68 -5.0 95 95 89 95 497 0.0 0.000 -0.072 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9150 1705.7 2.8 scans 74% 73 m/z 3.1% 0.0140% 1029 1.5 70 8341 0.103% 88866 88866 653105 0-0 10: 73 217 147 319 103 205 307 218 204 129 0.975 16.99 -5.4 93 93 89 93 422 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9865 1710.9 3.0 scans 86% TIC 1.1% 0.0546% 1036 1.3 117 22347 0.154% 346299 341917 976488 0-1 0.976 17.06 -5.6 96 95 92 95 510 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1096 Putrescine 17.1801 1725.0 2.7 scans 52% 174 m/z 3.1% 0.00741% 1054 1.0 45 8269 47039 45949 0-1 6: 174 175 214 176 86 172 0.986 17.25 -5.0 93 93 92 93 458 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5547 1752.4 2.7 scans 94% TIC 0.23% 0.176% 1090 1.3 223 112622 0.845% 1119410 1028970 5358001 4-1 1.000 17.63 -5.6 96 95 95 97 450 25.6 1.319 -0.077 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6905 1762.3 2.7 scans 56% 334 m/z (217) 0.91% 0.0948% 1103 0.8 159 28778 601503 563166 1-3 15: 334 204 256 335 375 336 167 267 166 285 211 151 376 67 241 0.954 17.70 -0.6 87 91 84 90 375 21.9 1.890 -0.009 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1086 Fructofuranose 18.0524 1788.7 2.7 scans 91% TIC 0.47% 0.111% 1137 1.3 172 55511 0.900% 706128 672916 5706746 2-0 0.993 18.13 -5.9 95 93 93 97 437 47.9 7.724 -0.082 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1046 Shikimic acid 18.1187 1793.6 2.9 scans 38% 204 m/z 1.2% 0.0238% 1144 1.1 78 21778 0.0404% 151360 138980 256170 0-2 13: 204 205 255 206 372 357 254 358 447 267 256 331 195 0.639 18.13 -0.4 92 95 55 93 372 13.2 2.827 -0.006 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1082 Citric acid 18.2450 1802.9 2.6 scans 95% 273 m/z 0.10% 0.675% 1156 0.8 437 258711 4283241 4251629 1-0 20: 273 73 147 347 363 375 274 465 75 211 149 148 275 348 364 305 221 74 376 133 0.992 18.32 -5.8 98 97 96 99 465 65.2 2.233 -0.076 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1076 Pregnane?? 18.7742 1843.3 3.2 scans 96% 345 m/z 0.087% 0.788% 1206 1.1 426 298233 5002604 4828310 1-1 20: 345 73 346 255 147 347 334 204 191 256 419 435 74 133 148 372 257 75 239 348 1.000 18.86 -6.4 100 99 99 99 537 31.8 0.556 -0.084 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1074 Adenine 18.8710 1850.6 3.2 scans 34% 264 m/z 5.9% 0.00401% 1215 1.2 31 4419 0.116% 25475 25475 735536 0-0 4: 264 265 279 266 0.989 18.94 -5.3 92 92 78 92 415 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1072 Fructose 18.9805 1859.0 5.9 scans 99% 263 m/z 0.014% 11.1% 1225 0.9 1212 1869710 70610854 68966720 1-0 20: 263 231 262 334 332 303 337 88 393 115 246 280 555 304 351 61 127 240 178 289 1.000 19.03 -4.0 100 98 99 100 364 142.0 1.378 -0.053 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1050 Fructose 19.0025 1860.7 >2 scans 73% 260 m/z 0.024% 2.54% 1228 2.1 962 1069581 7.59% 16112358 16112358 48126894 0-0 12: 260 289 200 392 249 338 359 152 317 194 419 195 1.000 18.98 1.7 100 99 99 99 364 120.1 1.562 0.023 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1070 Fructose 19.1214 1869.8 5.1 scans 71% 73 m/z (319) 0.014% 6.25% 1239 0.4 990 1755181 14.6% 39681629 38932191 92576107 1-1 20: 73 307 217 103 147 308 218 277 309 364 205 262 74 133 219 117 189 89 104 148 0.896 19.19 -5.5 81 92 79 83 554 46.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1052 Fructose 19.1214 1869.8 5.1 scans 97% 73 m/z 0.015% 8.43% 1239 0.4 1159 1694504 19.8% 53464964 52455209 125548419 1-1 20: 73 307 217 103 147 308 218 277 309 364 205 262 74 133 219 117 189 89 104 148 1.000 19.10 1.4 100 99 100 100 364 137.4 1.410 0.017 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1068 Galactopyranose 19.2298 1878.0 >3 scans 68% 204 m/z 0.40% 0.108% 1249 1.2 175 64599 12.6% 687886 687886 79894449 0-0 19: 204 191 147 205 217 206 192 435 203 193 218 231 74 291 189 243 305 393 131 0.994 19.32 -6.5 96 94 93 97 435 13.2 0.570 -0.085 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1064 Mannose 19.3498 1887.2 6.0 scans 96% TIC 0.010% 14.9% 1261 0.2 1433 2601059 94510561 92695785 1-1 1.000 19.45 -8.0 100 99 99 100 319 568.4 15.790 -0.105 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1056 Glucose 19.3508 1887.2 5.9 scans 66% 319 m/z (273) 0.010% 10.3% 1261 0.2 1190 2601059 65361847 63976549 1-1 20: 319 73 205 147 160 320 217 103 321 206 117 229 157 129 133 204 74 189 148 207 0.915 19.33 1.4 92 94 72 93 364 92.6 0.607 0.019 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1059 Glucose 19.5602 1903.4 3.0 scans 95% 319 m/z (317) 0.023% 3.49% 1281 0.5 893 1133240 22181821 21163849 1-1 20: 319 73 205 147 320 160 217 103 321 133 206 117 74 229 148 129 204 157 89 189 0.999 19.55 0.7 98 99 99 100 376 35.4 0.157 0.008 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1062 Glucose 19.5602 1903.4 3.1 scans 96% TIC 0.023% 3.51% 1281 0.4 896 1096123 22261947 21288610 1-1 0.993 19.66 -7.7 100 99 99 99 319 343.1 14.725 -0.096 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1061 Lysine 19.6107 1907.5 3.0 scans 20% 317 m/z 15% 0.00386% 1285 1.0 31 1684 0.0214% 24490 24490 135694 0-0 4: 317 174 156 128 0.911 19.61 -0.1 81 85 54 86 434 3.3 1.162 -0.002 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7128 1915.7 2.9 scans 61% 73 m/z 3.7% 0.00941% 1295 1.2 59 7053 0.0477% 59668 59668 302458 0-0 8: 73 319 244 147 205 320 304 117 0.934 19.79 -6.2 86 86 79 87 434 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2810 1961.3 2.6 scans 95% TIC 0.18% 0.273% 1349 1.2 284 141519 1736518 1671363 1-1 0.990 20.41 -10.7 97 95 96 97 217 61.2 4.656 -0.133 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1052 Gluconic acid 2 20.5040 1979.3 2.7 scans 85% TIC 1.5% 0.0399% 1370 1.2 99 16614 0.0434% 253398 232642 275192 0-1 0.988 20.60 -7.4 90 90 89 89 613 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN WTF2-N1038 C16:0 21.1259 2030.6 2.7 scans 91% 313 m/z 1.6% 0.0475% 1429 1.2 113 16274 0.0476% 301621 293553 301823 2-4 20: 313 73 117 75 129 132 314 145 55 57 328 131 315 74 118 130 116 69 76 201 0.986 20.62 42.3 92 97 94 97 328 12.5 1.214 0.509 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6646 2075.8 2.9 scans 98% 305 m/z 0.021% 4.71% 1481 0.5 1084 1201211 29882166 28986817 1-1 20: 305 217 73 318 147 191 306 319 265 432 204 307 218 433 320 367 129 133 291 148 1.000 21.75 -7.1 100 100 99 100 507 90.1 0.694 -0.084 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8466 2091.1 2.9 scans 96% 73 m/z 0.18% 0.400% 1498 1.0 317 145091 2539677 2428928 1-2 20: 73 319 205 147 320 217 103 321 262 206 204 117 74 89 148 133 157 129 229 376 0.999 21.93 -7.0 96 94 97 99 656 7.6 0.057 -0.083 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1823 2120.1 2.5 scans 97% 396 m/z 0.16% 0.396% 1530 0.9 343 156166 2516256 2408860 1-3 20: 396 219 73 397 381 398 220 191 307 249 382 293 75 74 147 308 399 383 221 233 1.000 22.19 -0.4 97 94 92 100 396 139.3 16.469 -0.004 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6516 2161.1 3.2 scans 89% 204 m/z 1.4% 0.0353% 1574 1.4 90 17602 0.0683% 224019 211849 433079 1-0 15: 204 73 205 147 217 145 206 361 117 191 249 74 129 218 103 0.991 22.71 -5.4 95 94 95 96 518 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN WTF2-N1036 C18:0 23.3755 2225.5 2.8 scans 92% 341 m/z 1.8% 0.0428% 1643 1.4 104 14254 0.0469% 271586 243544 297385 1-5 20: 341 117 73 132 342 145 75 129 55 57 356 69 343 201 74 118 133 97 83 130 0.996 22.89 43.7 90 96 93 96 356 14.2 1.863 0.486 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6360 2342.3 3.0 scans 93% 73 m/z 0.51% 0.180% 1763 0.5 193 51262 0.202% 1143108 1039111 1280848 1-3 20: 73 331 147 217 191 421 307 103 262 205 319 332 305 117 422 259 148 204 74 333 1.000 24.65 -1.3 99 98 98 99 466 11.9 0.377 -0.014 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7286 2351.1 2.7 scans 85% 73 m/z 2.6% 0.0250% 1772 0.7 82 9778 0.135% 159026 143842 856012 0-2 16: 73 217 204 147 292 375 305 103 376 451 219 233 293 205 129 74 0.985 24.81 -7.3 89 89 86 89 451 10.5 1.664 -0.076 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5184 2527.4 2.8 scans 88% 512 m/z 0.82% 0.104% 1942 0.9 168 31714 0.177% 664206 626548 1122327 0-1 20: 512 73 455 513 247 456 57 514 483 263 349 457 248 497 219 484 423 74 203 409 0.992 26.57 -5.7 99 98 95 99 512 61.2 13.268 -0.055 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1020 Sucrose 27.3991 2619.0 10.7 scans 30% 451 m/z (361) 0.017% 6.75% 2025 1.4 755 1498438 7.46% 42836970 41118954 47302586 1-0 16: 451 438 364 452 365 332 440 345 321 454 232 247 173 304 334 394 0.967 27.46 -6.6 88 86 32 98 437 270.6 12.900 -0.062 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1014 Sucrose 27.4033 2619.5 10.7 scans 85% 361 m/z 0.0078% 18.9% 2026 1.2 1279 3336030 20.9% 120156268 115740048 132523332 1-0 10: 361 362 363 220 450 454 171 274 183 378 1.000 27.49 -9.2 100 99 99 99 437 270.3 4.501 -0.087 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1010 Sucrose 27.4117 2620.4 10.5 scans 100% 218 m/z 0.0076% 24.5% 2027 1.0 1388 3430687 155436355 155376447 1-0 15: 218 319 272 331 320 71 291 259 293 158 185 377 261 248 367 0.997 27.58 -17.8 100 99 98 99 437 266.2 3.704 -0.167 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1016 Sucrose 27.4117 2620.4 10.5 scans 53% 218 m/z (361) 0.015% 13.0% 2027 1.0 1010 1644117 82782641 82750736 1-0 15: 218 319 272 331 320 71 291 259 293 158 185 377 261 248 367 0.944 27.48 -6.9 88 89 94 94 437 16.2 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1008 Sucrose 27.4254 2621.8 >8 scans 95% 147 m/z 0.0079% 19.1% 2028 0.4 1343 3308199 23.1% 121691798 116019703 146473156 1-0 10: 147 129 244 148 149 246 346 116 227 134 1.000 27.59 -17.7 100 98 98 99 437 257.7 3.708 -0.166 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1018 Sucrose 27.4622 2625.7 >2 scans 68% 361 m/z 0.0082% 2.50% 2032 1.4 1011 3175421 14.4% 15864425 15317494 91307941 0-1 20: 361 362 437 363 451 438 319 439 452 364 331 305 453 345 365 291 321 332 440 347 1.000 27.47 -0.8 97 96 82 96 437 253.2 6.345 -0.008 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN LQC1-N1006 Trehalose 28.3682 2723.6 2.9 scans 85% TIC 1.9% 0.0343% 2118 1.2 100 13421 0.136% 217504 216675 862353 0-1 0.993 28.47 -11.3 86 83 83 93 565 0.0 0.000 -0.100 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN GUA35_L1-N1020 Galactinol 30.5925 2978.0 2.8 scans 90% 204 m/z 0.89% 0.0530% 2329 1.3 119 29383 336379 304515 1-4 20: 204 73 217 191 147 205 206 433 305 129 218 361 103 265 230 74 318 219 192 319 0.998 30.55 5.6 82 81 93 83 641 0.0 0.000 0.048 G:\GCMS data\Nicotiana Panel polar\P_N528_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6321 3101.4 3.5 scans 68% 204 m/z 2.4% 0.0258% 2428 1.2 72 10558 0.223% 164212 140350 1414005 0-13 15: 204 205 129 217 597 103 598 206 337 361 218 271 169 362 189 0.978 31.68 -5.2 93 92 88 92 597 13.3 3.415 -0.043 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN EXBLK5S-N1006 Contamination 6.3880 1049.3 4.9 scans 48% 207 m/z 2.5% 0.0229% 29 1.7 60 9767 164007 127514 8-3 8: 207 295 208 73 296 209 297 191 0.965 6.63 -14.0 95 96 87 96 295 19.6 10.841 -0.237 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1194 Alanine 7.4665 1113.2 19.7 scans 62% TIC 1.7% 0.0545% 131 1.2 76 14400 0.126% 389475 389475 899422 0-0 0.964 7.40 3.7 88 85 89 94 283 0.0 0.000 0.062 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN A-KETO~2-N1006 Contamination?? 8.0105 1145.4 2.8 scans 75% 156 m/z 2.6% 0.0140% 183 0.9 67 9486 0.0143% 100229 92750 102077 5-1 7: 156 75 55 157 54 76 61 0.983 7.96 3.2 98 98 95 98 156 35.6 28.433 0.053 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1192 Contamination 8.0883 1150.0 2.6 scans 56% TIC 7.3% 0.00392% 190 1.8 43 3448 0.0185% 28036 28036 132058 0-0 0.878 7.99 5.8 89 91 81 90 235 8.8 4.222 0.099 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1188 Contamination 8.3861 1167.7 5.0 scans 76% 281 m/z 2.8% 0.0297% 218 2.3 68 8817 212210 168318 8-8 12: 281 147 369 282 73 283 370 249 371 191 251 148 0.981 8.41 -1.7 98 98 83 99 369 20.6 9.063 -0.029 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1186 Phosphate 8.6155 1181.3 2.5 scans 73% 241 m/z 1.3% 0.0188% 240 1.2 83 18751 134813 124693 1-1 14: 241 242 211 163 133 243 256 195 135 107 137 89 98 213 0.926 8.56 3.3 98 98 92 98 299 0.0 0.000 0.054 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1184 Valine 9.2268 1217.3 6.1 scans 76% 144 m/z 1.9% 0.0302% 298 0.3 66 12725 0.0321% 215585 200020 229138 5-4 5: 144 73 218 145 219 0.966 9.19 2.3 97 97 90 97 218 20.0 9.179 0.039 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1178 Ethanolamine 10.0012 1262.6 5.4 scans 80% 174 m/z 2.4% 0.0264% 372 1.1 67 10419 0.544% 188878 172241 3883217 6-0 6: 174 73 201 175 86 176 0.981 10.03 -1.9 88 85 85 94 262 7.4 1.218 -0.033 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN VEN77_S6-N1002 Glycerol 10.1401 1270.8 4.0 scans 98% 299 m/z 0.010% 3.90% 385 0.4 941 2480293 27851747 27194356 1-1 20: 299 300 314 73 301 133 211 283 315 207 193 147 191 316 302 135 225 298 74 284 1.000 10.09 2.8 100 98 95 99 299 576.2 37.746 0.046 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1176 Isoleucine 10.4589 1289.4 3.5 scans 63% 158 m/z 1.5% 0.0226% 416 0.6 73 16160 0.0319% 161679 153908 227711 4-1 7: 158 218 159 232 219 100 160 0.974 10.46 0.0 98 98 93 98 260 5.9 0.663 -0.000 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1012 Proline 10.5473 1294.6 3.3 scans 89% 142 m/z (180) 0.22% 0.120% 424 0.6 182 112368 1.24% 860308 860308 8851450 0-0 19: 142 73 143 216 147 144 74 72 59 66 217 148 244 100 170 131 99 101 70 0.995 10.53 0.8 98 98 99 99 216 33.3 3.331 0.014 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1014 Maleic acid 10.6199 1298.8 3.0 scans 88% 147 m/z (212) 0.30% 0.118% 431 1.2 191 83794 1.45% 842571 842571 10350486 0-0 20: 147 73 245 148 75 83 149 246 74 84 133 126 242 170 58 54 247 155 85 215 0.939 10.60 1.0 95 95 97 99 245 38.7 4.096 0.018 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1172 Maleic acid 10.6199 1298.8 3.0 scans 84% 147 m/z 0.29% 0.106% 431 1.2 187 85849 1.31% 761107 761107 9351129 0-0 20: 147 73 245 148 75 83 149 246 74 84 133 126 242 170 58 54 247 155 85 215 0.924 10.62 -0.3 98 97 96 98 245 39.0 4.353 -0.004 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1170 Glycine 10.6725 1302.0 >4 scans 60% TIC 1.3% 0.0237% 436 1.4 98 19146 1.14% 169365 169365 8137623 0-0 0.917 10.69 -0.8 95 95 91 97 276 12.4 1.603 -0.014 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7704 1307.8 3.0 scans 96% 147 m/z 0.023% 1.39% 445 0.7 639 1066321 9931588 9290661 2-1 20: 147 73 76 251 148 149 58 132 74 133 252 177 176 150 75 118 59 62 72 146 0.994 10.76 0.7 99 97 96 99 251 150.5 5.572 0.012 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1168 Glyceric acid 11.0418 1324.2 2.4 scans 98% 73 m/z 0.053% 0.845% 471 0.8 562 470629 6034653 6025377 1-0 20: 73 147 189 292 133 205 103 293 102 117 190 148 75 307 74 59 294 149 101 191 1.000 11.05 -0.7 100 99 99 100 292 166.5 8.793 -0.012 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.1029 1327.9 2.7 scans 62% 184 m/z 6.4% 0.00744% 477 1.1 51 3935 0.0368% 53117 53117 262688 0-0 9: 184 134 285 174 86 77 100 59 286 0.854 11.06 2.4 95 96 74 96 285 16.6 10.623 0.040 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1018 Uracil 11.1576 1331.2 2.7 scans 54% 241 m/z 10% 0.00367% 482 1.1 36 2469 0.00388% 26238 26238 27696 0-0 5: 241 256 255 99 242 0.842 11.15 0.6 96 97 96 99 256 13.2 13.495 0.010 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1164 Itaconic acid 11.2355 1335.8 2.6 scans 75% TIC 3.3% 0.00947% 489 1.0 58 7632 0.0130% 67652 64697 92797 2-0 0.952 11.25 -1.1 82 78 82 91 259 10.7 3.383 -0.017 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1162 Fumaric acid 11.3744 1344.2 2.6 scans 93% 245 m/z 0.38% 0.0949% 503 1.0 177 65476 677773 662028 2-0 20: 245 147 73 246 75 143 83 247 240 148 133 84 149 155 74 53 115 54 127 61 0.996 11.39 -1.1 98 97 97 97 245 93.6 27.947 -0.019 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4701 1350.0 4.2 scans 36% 57 m/z (84 204) 1.7% 0.0279% 512 0.9 77 14080 0.0384% 199825 195286 274109 1-0 11: 57 97 145 56 127 115 69 109 111 128 129 0.937 11.45 1.5 89 92 94 98 145 22.1 8.112 0.024 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN WTF2-N1024 Contamination 10.96min 11.4953 1351.5 3.0 scans 61% 84 m/z 0.31% 0.102% 514 1.1 177 80122 733487 662210 4-2 20: 84 161 162 92 119 65 51 82 63 78 118 85 91 120 64 77 52 104 81 106 0.985 10.96 32.5 92 94 94 96 161 44.2 6.236 0.539 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1020 Serine 11.5206 1353.0 2.8 scans 70% 204 m/z 0.19% 0.260% 516 1.0 281 131521 1859675 1760293 1-1 16: 204 73 218 205 219 278 206 220 306 116 216 72 279 103 203 174 0.820 11.51 0.4 98 99 93 98 306 28.0 0.996 0.008 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1160 Serine 11.5227 1353.1 4.0 scans 67% TIC 0.18% 0.362% 517 0.6 282 135552 2587969 2558678 3-0 0.771 11.56 -2.1 96 97 88 96 306 26.4 0.880 -0.034 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN BRA4_R~2-N1008 Thymine 11.6006 1357.8 2.8 scans 30% 255 m/z 17% 0.000939% 524 1.0 18 1467 6706 6706 0-0 1: 255 0.983 11.58 1.0 93 97 78 96 270 6.3 13.060 0.017 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7416 1366.3 3.3 scans 75% 147 m/z 4.1% 0.0125% 537 0.8 59 6143 0.0156% 89744 89744 111357 0-0 6: 147 73 247 101 148 116 0.993 11.79 -2.6 87 84 87 93 262 5.6 0.901 -0.043 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1024 Threonine 11.9236 1377.3 2.6 scans 97% 73 m/z 0.31% 0.146% 555 1.0 228 79473 1046984 1045818 1-0 20: 73 218 219 117 291 292 147 101 220 57 100 75 74 128 203 133 293 132 129 59 0.999 11.92 0.2 100 99 99 100 320 20.1 0.772 0.003 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN N406_R~1-N1016 b-Alanine 12.6107 1419.5 3.0 scans 61% TIC 9.1% 0.00485% 620 1.5 41 2780 0.0210% 34677 31756 149904 2-1 0.890 12.60 0.5 95 96 93 98 304 0.0 0.000 0.009 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1148 Glutamine?? 13.2904 1462.3 2.8 scans 80% 155 m/z 2.1% 0.0178% 685 1.2 73 12001 127627 122725 0-6 6: 155 156 229 139 157 100 0.950 13.35 -3.6 94 93 91 96 257 5.5 0.576 -0.057 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1146 Malic acid 13.5566 1479.1 2.7 scans 99% 73 m/z 0.017% 2.64% 710 0.5 918 1411441 18848478 18846834 1-0 20: 73 147 233 245 133 189 75 148 190 175 74 335 191 149 101 55 234 265 217 59 0.998 13.62 -3.7 100 99 99 99 350 22.9 0.062 -0.060 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1144 Contamination Parabanica acid 13.7481 1491.1 2.8 scans 85% 115 m/z 1.3% 0.0531% 728 1.1 129 19046 0.0560% 379527 340873 399743 3-3 16: 115 100 243 128 244 116 158 245 201 72 70 142 101 131 102 215 0.989 13.81 -3.7 98 97 96 97 243 48.5 14.042 -0.058 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1140 Aspartic acid 14.0206 1508.7 2.3 scans 56% 232 m/z (156) 0.17% 0.200% 754 1.2 273 146956 1431539 1384760 1-1 18: 232 233 100 218 234 202 188 216 219 306 334 204 292 130 220 203 189 307 0.931 14.09 -4.4 96 99 93 98 349 15.1 0.306 -0.066 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1028 Aspartic acid 14.0206 1508.7 2.3 scans 37% 232 m/z 0.17% 0.132% 754 1.2 223 146957 943078 912261 1-1 18: 232 233 100 218 234 202 188 216 219 306 334 204 292 130 220 203 189 307 0.893 14.02 0.2 95 93 88 99 258 6.5 0.000 0.004 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0501 1510.7 2.9 scans 94% 156 m/z 0.045% 0.686% 757 0.6 456 552810 4903884 4826194 1-0 15: 156 147 258 230 157 158 259 148 72 231 140 58 55 86 155 0.988 14.11 -4.0 99 97 98 99 273 18.9 0.173 -0.060 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1032 GABA 14.1869 1519.8 2.8 scans 94% TIC 0.20% 0.220% 770 1.1 268 122609 0.254% 1573377 1490170 1813120 6-3 0.998 14.19 -0.0 100 99 99 99 304 78.5 8.592 -0.001 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1134 GABA 14.1869 1519.8 2.6 scans 93% 174 m/z (314) 0.20% 0.211% 770 1.1 266 123728 1507700 1407781 3-1 20: 174 73 304 147 175 75 305 176 86 59 216 133 306 143 172 246 130 148 74 142 0.999 14.24 -3.6 98 98 98 99 304 79.3 8.864 -0.055 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3542 1530.8 8.7 scans 80% TIC 2.6% 0.0141% 786 1.0 68 9410 0.222% 101234 90371 1584695 0-5 0.977 14.62 -17.8 91 90 85 91 409 5.3 0.613 -0.267 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6298 1549.1 2.8 scans 98% 73 m/z 0.017% 3.13% 812 0.7 1009 1426131 22354460 22335182 1-0 20: 73 292 147 220 205 217 293 117 103 294 148 221 133 74 319 291 149 102 206 75 1.000 14.69 -4.1 100 100 99 100 409 78.6 0.608 -0.062 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1126 Pyrazine 15.0665 1578.1 2.9 scans 78% TIC 1.8% 0.0271% 853 1.2 93 13593 0.0693% 193621 189551 494682 0-2 0.914 15.13 -4.3 97 97 92 97 344 26.3 8.104 -0.065 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3716 1598.3 3.0 scans 79% TIC 1.6% 0.0215% 882 2.2 76 15565 0.0334% 154156 154156 238418 0-0 0.966 15.44 -4.7 94 94 91 94 393 0.0 0.000 -0.068 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1118 Phenylalanine 15.5979 1613.9 2.7 scans 69% 218 m/z (328) 1.6% 0.0266% 904 1.1 94 15568 189951 180589 1-1 7: 218 192 219 91 266 220 132 0.980 15.66 -4.3 90 91 90 93 294 7.0 0.547 -0.061 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1038 Xylose 15.8809 1633.6 2.9 scans 78% 73 m/z 2.0% 0.0229% 931 1.6 82 12579 0.153% 163606 153632 1092155 2-2 17: 73 103 217 307 147 218 308 277 189 89 104 160 133 75 74 219 309 0.953 15.89 -0.6 92 91 88 97 307 21.7 6.970 -0.009 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1040 Xylose 15.9966 1641.6 2.5 scans 93% 73 m/z 0.45% 0.0951% 942 1.1 185 55259 0.121% 679351 636391 863730 4-1 20: 73 103 217 307 147 308 189 218 160 277 133 74 75 104 205 309 204 117 89 219 0.997 16.00 -0.5 96 94 96 98 307 49.9 7.301 -0.007 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1042 Ribose 16.0945 1648.4 2.7 scans 80% 73 m/z 1.9% 0.0216% 951 0.9 85 13142 0.121% 154879 139069 863730 1-4 15: 73 103 307 217 308 147 277 218 74 309 89 205 104 133 117 0.984 16.10 -0.6 96 95 94 97 307 24.4 8.200 -0.008 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2166 1656.9 3.2 scans 84% TIC 1.0% 0.0312% 963 1.5 93 25231 0.0559% 222717 214184 399029 1-0 0.975 16.28 -4.2 99 98 95 99 392 15.0 2.622 -0.059 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6038 1683.8 2.7 scans 86% TIC 1.3% 0.0381% 1000 1.5 109 18216 0.0537% 272475 249297 383325 1-0 0.994 16.68 -5.0 99 98 96 98 497 0.0 0.000 -0.072 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9152 1705.7 2.7 scans 62% 217 m/z (188) 2.4% 0.0210% 1029 1.2 85 10299 0.0912% 150041 149707 651010 1-0 10: 217 307 103 205 319 218 320 308 206 243 0.972 16.99 -5.4 88 90 88 90 422 3.5 0.165 -0.074 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9868 1710.9 3.4 scans 81% TIC 1.4% 0.0388% 1036 1.4 106 17592 0.263% 277574 277574 1877364 0-0 0.980 17.06 -5.6 93 93 90 93 510 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1044 Putrescine 17.1793 1725.0 2.8 scans 77% 174 m/z (73) 0.77% 0.0347% 1054 1.1 107 32709 248038 248038 0-0 14: 174 175 214 176 172 86 100 200 361 142 173 99 146 376 0.995 17.19 -0.6 96 97 97 99 376 8.0 0.569 -0.009 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1096 Putrescine 17.1793 1725.0 2.8 scans 65% 174 m/z 0.77% 0.0291% 1054 1.1 98 32764 208276 208276 0-0 14: 174 175 214 176 172 86 100 200 361 142 173 99 146 376 0.996 17.25 -5.0 97 96 94 99 458 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3677 1738.7 2.8 scans 66% 292 m/z 2.5% 0.0185% 1072 1.1 77 10064 132295 113832 6-1 10: 292 333 103 217 307 293 334 335 308 294 0.958 17.44 -5.6 94 95 89 94 511 5.6 0.538 -0.075 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5560 1752.5 2.6 scans 94% 217 m/z 0.11% 0.298% 1090 0.9 325 226871 0.334% 2127892 1961767 2384181 5-1 20: 217 73 218 147 219 75 74 189 230 450 133 215 129 103 244 148 149 232 191 130 0.999 17.63 -5.5 94 93 95 96 450 29.7 0.838 -0.076 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6896 1762.2 2.8 scans 46% 334 m/z (73) 3.2% 0.0285% 1103 0.8 94 7761 0.0334% 204124 189787 238418 1-0 11: 334 256 335 336 255 183 167 166 211 267 151 0.945 17.70 -0.7 86 89 79 89 375 13.0 1.931 -0.009 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1046 Shikimic acid 18.1158 1793.3 >3 scans 77% TIC 0.87% 0.0546% 1143 1.9 129 28855 0.249% 390327 390327 1777428 0-0 0.965 18.13 -0.7 95 94 93 97 372 14.2 1.205 -0.009 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1082 Citric acid 18.2389 1802.4 3.0 scans 89% TIC 0.41% 0.136% 1155 1.0 209 61726 0.287% 973029 945737 2048682 3-1 0.989 18.32 -6.3 98 96 94 98 465 30.0 2.059 -0.082 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1076 Pregnane?? 18.8018 1845.4 3.7 scans 98% TIC 0.0099% 6.11% 1208 0.4 1225 2537699 43636217 42629488 1-1 0.999 18.86 -4.3 100 100 99 100 537 95.2 0.607 -0.056 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1074 Adenine 18.8723 1850.7 3.3 scans 19% 264 m/z 7.8% 0.00296% 1215 1.5 29 3219 0.0439% 21177 21177 313370 0-0 3: 264 279 265 1.000 18.94 -5.2 90 92 80 92 415 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1072 Fructose 18.9596 1857.4 5.8 scans 96% 73 m/z 0.030% 3.60% 1223 1.7 783 837485 25699271 24859450 1-1 20: 73 307 217 103 147 308 277 218 133 309 364 74 117 205 189 104 89 219 148 75 1.000 19.03 -5.6 100 98 99 99 364 84.8 1.178 -0.073 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1050 Fructose 18.9838 1859.3 >2 scans 59% 306 m/z 0.055% 0.874% 1226 2.5 551 459669 1.99% 6239700 6002278 14205150 0-1 17: 306 145 88 222 186 146 247 232 132 126 246 290 76 233 236 152 254 1.000 18.98 0.3 97 96 98 97 364 53.4 0.941 0.004 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1052 Fructose 19.1143 1869.2 7.1 scans 96% 73 m/z 0.050% 2.44% 1238 0.6 597 505706 19.9% 17462875 17067583 142051496 1-7 20: 73 217 307 103 147 308 218 277 309 74 364 89 133 205 262 117 104 148 219 204 0.999 19.10 0.8 100 99 99 100 364 64.3 1.162 0.010 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1070 Fructose 19.1143 1869.2 7.1 scans 90% 73 m/z (365) 0.049% 2.38% 1238 0.6 580 510010 19.4% 17038356 16652673 138482363 1-7 20: 73 217 307 103 147 308 218 277 309 74 364 89 133 205 262 117 104 148 219 204 0.997 19.19 -6.1 93 94 96 95 554 32.9 0.323 -0.080 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1056 Glucose 19.3374 1886.2 >5 scans 86% 307 m/z 0.010% 10.7% 1259 0.3 1338 2432889 18.4% 77018763 74029532 131344097 1-0 16: 307 262 269 177 116 293 292 279 309 221 220 343 98 243 235 334 0.998 19.33 0.4 100 99 98 99 364 95.1 0.507 0.005 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN BRA4_R~2-N1004 Galactose 19.3816 1889.6 9.6 scans 70% 73 m/z (292) 0.0092% 15.7% 1264 0.1 1289 2734359 112564986 111175883 1-1 20: 73 319 205 147 160 217 103 117 206 229 157 129 133 204 189 148 74 161 75 218 0.900 19.36 1.5 82 94 79 84 364 0.0 0.000 0.021 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1064 Mannose 19.3816 1889.6 9.6 scans 96% 73 m/z 0.010% 21.3% 1264 0.1 1509 2529168 152323694 150443951 1-1 20: 73 319 205 147 160 217 103 117 206 229 157 129 133 204 189 148 74 161 75 218 1.000 19.45 -5.6 100 99 98 99 319 581.8 14.924 -0.073 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1059 Glucose 19.5783 1904.8 3.7 scans 97% 73 m/z 0.014% 6.12% 1282 0.4 1215 1736557 43731984 43290112 2-0 20: 73 205 147 320 160 217 103 321 206 133 117 229 74 157 129 204 148 189 207 89 0.998 19.55 2.1 100 99 100 100 376 50.9 0.176 0.026 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1060 Lysine 19.6194 1908.1 >3 scans 33% 174 m/z 4.0% 0.0123% 1286 1.8 64 6266 0.158% 88201 86208 1127846 0-1 7: 174 317 156 128 318 230 86 0.970 19.69 -6.0 87 87 83 90 479 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7193 1916.2 3.1 scans 55% 73 m/z 3.7% 0.00848% 1296 1.1 65 6835 0.0507% 60582 60582 361910 0-0 10: 73 319 304 244 147 205 117 320 103 206 0.928 19.79 -5.7 85 86 81 86 434 0.0 0.000 -0.072 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7782 1920.9 5.6 scans 64% TIC 1.5% 0.0366% 1301 3.2 95 16161 0.0758% 261395 261395 541081 0-0 0.931 19.79 -1.3 93 93 86 92 333 38.9 16.819 -0.016 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN BRA4_R~2-N1010 Tyrosine 19.8088 1923.4 2.9 scans 25% 218 m/z 2.7% 0.00737% 1304 1.1 49 9318 0.0112% 52628 51452 79949 2-0 4: 218 280 179 354 0.772 19.82 -0.7 84 87 57 90 382 5.7 1.345 -0.009 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1056 Ascorbic acid 19.9066 1931.2 >4 scans 62% TIC 3.8% 0.0119% 1313 0.8 69 6621 0.130% 85361 85361 927975 0-0 0.966 19.99 -6.5 82 81 78 84 449 7.1 1.061 -0.079 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2907 1962.1 2.9 scans 82% TIC 0.57% 0.0866% 1350 1.1 169 44299 618347 555767 1-1 0.923 20.30 -0.4 96 98 95 97 433 17.8 1.107 -0.005 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1052 Gluconic acid 2 20.5106 1979.8 2.7 scans 93% TIC 0.17% 0.346% 1371 0.7 325 141118 2473591 2269467 2-2 0.989 20.60 -6.9 96 95 97 96 613 9.4 0.083 -0.086 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN WTF2-N1038 C16:0 21.1293 2030.9 2.8 scans 89% 313 m/z 1.4% 0.0473% 1430 1.0 124 17590 338106 309798 5-1 20: 313 117 73 75 132 129 145 314 55 57 328 315 131 269 69 201 74 130 56 83 0.990 20.62 42.6 93 98 95 98 328 13.2 1.132 0.512 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6722 2076.5 3.3 scans 98% 305 m/z 0.016% 5.87% 1481 0.4 1272 1558481 41928561 41486721 1-0 20: 305 217 73 318 147 191 306 319 265 204 432 307 218 433 320 291 133 129 148 192 0.998 21.75 -6.4 100 100 99 100 507 104.9 0.682 -0.077 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8479 2091.3 2.9 scans 96% 319 m/z 0.18% 0.336% 1498 1.0 318 136448 2401497 2269817 1-2 20: 319 73 205 147 320 217 103 321 262 117 206 204 74 229 89 148 157 75 129 218 0.998 21.93 -6.8 96 94 97 99 656 7.1 0.050 -0.082 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1825 2120.1 2.5 scans 95% 396 m/z 0.23% 0.232% 1530 0.9 289 108934 1661557 1574297 1-3 20: 396 219 73 397 381 398 191 220 307 249 382 293 75 319 74 308 147 399 221 383 0.999 22.19 -0.4 98 96 94 99 396 120.8 17.470 -0.003 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6476 2160.7 3.3 scans 88% 204 m/z 1.1% 0.0375% 1574 1.4 103 21147 0.0707% 268136 252855 504675 3-0 15: 204 73 205 147 217 206 117 361 131 74 129 218 189 103 148 0.987 22.71 -5.8 97 96 96 98 518 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN BRA4_R~4-N1012 Spermidine 22.8885 2181.8 4.2 scans 40% 174 m/z 28% 0.00238% 1597 2.3 22 888 0.00284% 17030 17030 20273 0-0 3: 174 200 201 0.849 22.90 -1.0 82 86 62 91 418 3.0 1.895 -0.011 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.1463 2204.5 2.7 scans 95% 73 m/z 0.48% 0.156% 1621 1.1 227 52729 1119609 1098392 1-0 20: 73 169 143 75 231 211 156 81 170 147 93 79 183 117 157 107 74 181 141 121 0.996 23.28 -12.3 88 85 67 93 450 9.7 0.181 -0.135 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN WTF2-N1036 C18:0 23.3757 2225.5 2.8 scans 91% TIC 1.6% 0.0382% 1643 1.7 114 15668 0.0646% 272733 272733 461132 0-0 0.995 22.89 43.7 91 96 94 96 356 15.3 1.782 0.487 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN BRA4_R~2-N1006 Spermidine 23.4915 2236.1 2.7 scans 76% 144 m/z 5.1% 0.0139% 1654 1.0 69 4889 99586 96090 2-1 17: 144 174 156 116 86 160 172 130 100 142 214 157 175 59 115 145 128 0.981 23.51 -1.6 96 97 96 98 490 5.7 0.690 -0.018 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1028 2291.9 >3 scans 59% 204 m/z 7.0% 0.00437% 1712 1.6 39 3584 0.0225% 31237 31237 160611 0-0 1: 204 0.912 24.01 8.4 81 82 77 87 490 0.0 0.000 0.093 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6341 2342.1 3.1 scans 94% TIC 0.54% 0.155% 1763 0.5 192 46705 1111411 1108147 0-2 0.998 24.65 -1.5 99 98 98 99 466 10.6 0.304 -0.016 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7299 2351.2 2.6 scans 90% 73 m/z 1.1% 0.0524% 1772 1.1 139 22834 0.0569% 374288 354130 406167 1-0 20: 73 217 204 147 292 375 305 103 451 218 219 205 293 376 74 189 129 133 233 306 0.997 24.81 -7.2 95 94 93 94 451 17.0 1.511 -0.075 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5207 2527.7 4.4 scans 73% TIC 0.62% 0.136% 1942 1.8 174 40480 0.177% 977029 927935 1263473 4-1 0.790 26.57 -5.4 97 97 91 99 512 57.7 10.975 -0.052 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1020 Sucrose 27.3962 2618.7 11.8 scans 10% 437 m/z (361) 0.042% 2.29% 2025 2.0 450 602662 16353307 16352852 1-0 20: 437 451 438 452 332 321 305 241 454 307 435 163 346 109 222 135 150 334 99 206 0.803 27.46 -6.9 93 95 94 97 437 284.0 39.935 -0.065 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1018 Sucrose 27.4025 2619.4 11.7 scans 55% 361 m/z (73) 0.0074% 13.4% 2026 1.7 1076 3401030 95976718 94639641 1-1 20: 361 362 363 319 364 359 320 71 291 273 246 450 173 141 177 247 144 317 292 185 0.921 27.47 -7.1 94 96 68 95 437 284.0 7.006 -0.068 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1010 Sucrose 27.4025 2619.4 11.7 scans 99% 361 m/z 0.0074% 23.7% 2026 1.7 1438 3401224 169584754 167222224 1-1 20: 361 362 363 319 364 359 320 71 291 273 246 450 173 141 177 247 144 317 292 185 0.999 27.58 -18.8 100 99 99 99 437 273.3 3.635 -0.177 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1014 Sucrose 27.4067 2619.8 11.8 scans 92% TIC 0.0074% 20.4% 2026 1.3 1385 3418051 22.9% 146323309 141941143 163466294 1-0 1.000 27.49 -8.9 100 100 99 100 437 282.0 4.177 -0.083 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1016 Sucrose 27.4172 2620.9 11.8 scans 35% 147 m/z (361) 0.024% 8.03% 2027 0.9 856 1055644 9.02% 57330112 55508464 64387160 1-0 13: 147 169 191 219 231 221 259 215 293 175 113 159 393 0.858 27.48 -6.4 82 84 69 91 437 16.5 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN TAB_REP6-N1070 Sucrose 27.4729 2626.9 11.6 scans 67% 73 m/z (259) 0.011% 2.99% 2033 2.3 1131 2209053 15.2% 21344730 20822024 108501645 0-1 20: 73 217 147 103 271 169 129 74 243 218 75 191 219 133 117 272 204 230 148 189 0.994 27.41 6.8 87 85 84 96 451 12.5 0.000 0.063 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1008 Sucrose 27.4729 2626.9 >2 scans 94% TIC 0.010% 4.24% 2033 2.3 1339 2520752 23.3% 30276726 29669781 166321601 0-1 1.000 27.59 -12.6 100 99 96 99 437 191.8 2.063 -0.118 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN LQC1-N1006 Trehalose 28.5715 2746.5 3.3 scans 84% 361 m/z 2.3% 0.0379% 2137 0.9 104 10630 0.129% 270996 269013 920836 0-2 20: 361 204 73 362 217 160 363 147 205 451 191 218 271 129 117 169 206 243 148 161 0.986 28.47 11.6 81 76 69 90 565 0.0 0.000 0.103 G:\GCMS data\Nicotiana Panel polar\P_N6_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6239 3100.5 4.2 scans 79% TIC 2.7% 0.0217% 2427 1.2 71 9198 1.61% 155527 140838 11492608 0-4 0.973 31.68 -6.1 92 91 87 91 597 12.4 2.994 -0.051 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1194 Alanine 7.4191 1110.4 13.7 scans 45% TIC 4.6% 0.00867% 127 1.2 44 4809 0.0401% 62161 62161 287292 0-0 0.938 7.40 0.9 82 81 79 89 283 0.0 0.000 0.015 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN A-KETO~2-N1006 Contamination?? 7.9284 1140.6 2.7 scans 77% 156 m/z 3.9% 0.00816% 175 1.2 50 5729 0.0106% 58481 53435 75942 1-5 5: 156 75 55 157 54 0.967 7.96 -1.6 98 98 93 98 156 26.4 27.391 -0.029 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1192 Contamination 8.0115 1145.5 2.7 scans 69% 147 m/z 7.3% 0.00480% 183 0.9 42 3058 0.00949% 34394 34153 67990 1-0 6: 147 73 133 235 152 220 0.968 7.99 1.3 90 91 84 90 235 9.2 4.874 0.023 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1188 Contamination 8.3524 1165.7 6.4 scans 83% 281 m/z 2.9% 0.0318% 216 1.3 61 7674 0.0356% 228317 196191 255052 2-0 10: 281 369 73 282 265 147 283 249 371 284 0.995 8.41 -3.7 98 97 83 99 369 17.3 7.953 -0.063 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1186 Phosphate 8.5587 1177.9 2.4 scans 86% 241 m/z 1.1% 0.0180% 235 1.1 80 19636 128979 128810 0-1 13: 241 242 211 163 133 243 256 195 135 59 107 137 98 0.991 8.56 -0.1 99 98 95 99 299 0.0 0.000 -0.002 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1184 Valine 9.1774 1214.4 5.0 scans 82% 144 m/z 2.2% 0.0200% 294 0.4 58 10103 0.0219% 143958 133515 156900 9-6 6: 144 73 218 145 219 146 0.985 9.19 -0.6 97 97 92 97 218 17.9 9.500 -0.011 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1178 Ethanolamine 9.9833 1261.6 5.3 scans 86% TIC 1.5% 0.0373% 370 1.2 76 14716 1.50% 267494 243615 10746577 2-0 0.988 10.03 -2.9 94 92 91 96 262 7.8 1.066 -0.051 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN VEN77_S6-N1002 Glycerol 10.0886 1267.7 3.0 scans 94% TIC 0.017% 1.57% 380 0.6 650 1268399 11261663 10892524 1-1 0.980 10.09 -0.3 100 99 96 100 299 393.1 36.775 -0.005 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LACTIC~1-N1034 Glycerol 10.0949 1268.1 3.3 scans 5.8% 147 m/z (299) 0.38% 0.105% 381 0.7 156 58961 758259 696513 10-1 17: 147 205 117 103 218 148 206 149 175 129 101 203 219 118 293 217 143 0.509 10.11 -0.9 87 97 58 93 293 12.7 0.660 -0.015 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN A-AMYRIN-N1012 Contamination?? 10.2369 1276.4 3.0 scans 62% 198 m/z 5.8% 0.00357% 395 1.2 32 3841 25612 23026 1-1 3: 198 73 77 0.908 10.24 -0.2 89 90 79 89 381 3.0 0.870 -0.003 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1176 Isoleucine 10.4295 1287.7 3.1 scans 57% 158 m/z 2.2% 0.0119% 413 0.8 54 9930 0.0198% 85517 73912 141855 4-0 7: 158 159 218 232 100 160 219 0.946 10.46 -1.7 97 97 90 97 260 4.6 0.714 -0.030 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1003 Isoleucine 10.4326 1287.9 >4 scans 77% TIC 2.1% 0.0170% 413 0.9 63 10381 122147 103073 5-0 0.987 10.45 -0.7 98 98 94 97 232 9.9 2.465 -0.012 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1012 Proline 10.5168 1292.8 3.1 scans 94% 142 m/z 0.10% 0.249% 421 0.7 247 217883 1.03% 1789766 1570360 7379316 5-0 20: 142 73 143 216 147 144 72 74 59 75 66 217 148 100 70 68 170 99 133 244 0.999 10.53 -1.0 100 98 98 100 216 46.4 3.524 -0.016 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1014 Maleic acid 10.5915 1297.2 2.7 scans 91% 147 m/z 0.19% 0.126% 428 1.1 206 117082 1.01% 905024 904982 7236029 1-0 20: 147 73 245 148 75 83 149 74 133 246 84 170 59 143 126 247 58 61 215 155 0.992 10.60 -0.6 99 97 98 100 245 45.1 4.802 -0.010 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1170 Glycine 10.6504 1300.6 >5 scans 61% TIC 1.6% 0.0105% 434 0.8 73 13740 0.923% 75404 75404 6612727 0-0 0.957 10.69 -2.2 92 92 87 92 276 11.3 2.402 -0.037 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7430 1306.2 2.9 scans 96% 147 m/z 0.030% 0.963% 443 0.6 510 745093 6902513 6482585 1-2 20: 147 73 76 251 148 149 132 58 74 133 252 75 177 150 176 59 62 57 131 118 0.996 10.76 -0.9 99 97 96 99 251 118.3 5.392 -0.015 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1168 Glyceric acid 11.0198 1322.9 2.4 scans 98% 73 m/z 0.060% 0.660% 469 0.8 475 374321 4733248 4674464 1-0 20: 73 147 292 189 133 205 103 293 102 117 190 307 148 75 74 294 59 149 101 191 1.000 11.05 -2.0 100 99 99 100 292 141.7 8.883 -0.034 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0745 1326.2 >2 scans 73% TIC 7.3% 0.00644% 474 1.9 48 3049 0.516% 46163 41549 3696823 0-4 0.954 11.06 0.7 93 92 87 97 285 13.6 8.053 0.011 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1162 Fumaric acid 11.3544 1343.0 2.6 scans 95% 245 m/z 0.33% 0.0926% 501 0.9 172 67746 664029 647483 1-1 20: 245 147 73 246 75 83 143 247 133 148 155 240 149 74 53 84 115 61 157 59 0.997 11.39 -2.3 99 98 97 98 245 90.8 27.992 -0.039 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4501 1348.8 3.4 scans 37% 57 m/z 2.0% 0.0166% 510 0.9 64 11231 0.0267% 119506 119506 191289 0-0 13: 57 97 145 115 56 55 127 69 129 111 83 109 128 0.934 11.45 0.3 94 95 89 95 145 18.7 8.605 0.004 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN WTF2-N1024 Contamination 10.96min 11.4659 1349.7 3.1 scans 58% 84 m/z (57) 0.99% 0.0298% 511 1.4 87 22583 213559 201191 1-2 15: 84 161 162 92 119 82 51 65 63 78 91 64 54 81 80 0.985 10.96 30.7 86 89 91 93 161 22.3 6.518 0.510 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1160 Serine 11.5027 1351.9 2.7 scans 95% TIC 0.24% 0.192% 515 0.9 236 92163 0.228% 1382545 1289045 1633480 0-2 0.999 11.56 -3.3 99 97 97 98 306 23.5 0.989 -0.054 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7237 1365.2 3.5 scans 77% 147 m/z 3.9% 0.0117% 536 0.8 54 5731 0.0143% 84531 84531 102451 0-0 8: 147 73 247 101 103 59 116 148 0.940 11.79 -3.7 91 91 88 92 262 6.4 1.394 -0.061 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1024 Threonine 11.9099 1376.5 2.7 scans 94% 73 m/z 0.52% 0.0858% 553 1.0 158 43195 615167 599055 1-1 20: 73 218 219 117 291 292 101 147 220 100 57 75 74 293 132 128 203 133 320 221 0.993 11.92 -0.6 100 99 99 99 320 14.6 0.846 -0.011 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1148 Glutamine?? 13.2914 1462.4 2.8 scans 83% 155 m/z 0.86% 0.0337% 685 1.0 101 25975 0.0409% 242058 235014 293023 1-2 12: 155 156 139 229 59 100 157 230 84 131 72 56 0.972 13.35 -3.5 96 96 93 97 257 7.7 0.575 -0.056 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1146 Malic acid 13.5850 1480.9 4.0 scans 98% 73 m/z 0.0094% 6.69% 713 0.2 1181 2389238 47969842 47810779 1-0 20: 73 147 233 245 133 189 190 148 335 191 75 175 234 101 74 149 55 217 265 307 1.000 13.62 -1.9 100 100 100 100 350 31.1 0.070 -0.032 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1144 Contamination Parabanica acid 13.7555 1491.6 3.0 scans 87% 115 m/z 1.7% 0.0356% 729 1.0 104 12905 2.80% 255318 242133 20060278 0-2 20: 115 243 100 128 73 116 244 158 201 59 72 101 84 142 245 75 102 74 129 131 0.989 13.81 -3.2 98 97 96 97 243 38.3 13.554 -0.051 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1142 Erythritol/Threitol 13.8302 1496.3 2.6 scans 83% 73 m/z 1.9% 0.0196% 736 1.2 82 11659 0.0313% 140473 133880 224245 1-0 14: 73 217 147 205 103 117 204 189 307 191 133 148 74 129 0.985 13.89 -3.8 96 95 94 97 320 8.2 1.003 -0.060 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1140 Aspartic acid 14.0185 1508.6 2.4 scans 56% 232 m/z (156) 0.34% 0.0941% 754 1.1 176 65212 674825 636426 1-1 14: 232 233 100 218 234 202 188 216 130 334 204 292 235 349 0.941 14.09 -4.5 96 99 92 98 349 10.7 0.371 -0.068 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0396 1510.0 4.5 scans 82% TIC 0.17% 0.276% 756 0.6 235 128899 1978802 1893232 1-1 0.864 14.03 0.7 98 97 98 99 258 42.4 3.264 0.010 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1138 Pyroglutamic acid 14.0417 1510.1 3.0 scans 87% 156 m/z 0.13% 0.212% 756 0.8 242 164333 1523214 1429522 1-1 16: 156 157 147 230 258 158 259 140 231 260 58 112 86 85 67 55 0.984 14.11 -4.6 100 99 98 99 273 10.2 0.178 -0.068 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1032 GABA 14.1869 1519.8 2.6 scans 94% TIC 0.16% 0.226% 770 1.0 264 133103 0.238% 1620633 1513090 1705124 0-2 0.996 14.19 -0.0 100 99 98 99 304 78.6 8.843 -0.001 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3531 1530.8 5.7 scans 87% TIC 1.8% 0.0203% 786 1.3 76 11879 1.40% 145857 135730 10030139 0-3 0.983 14.62 -17.8 93 92 89 93 409 5.4 0.518 -0.268 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6172 1548.3 2.4 scans 98% 73 m/z 0.033% 1.26% 811 0.7 650 678747 9086699 8757140 1-1 20: 73 292 147 220 205 293 217 117 294 103 221 148 133 319 74 291 149 206 75 102 1.000 14.69 -4.9 100 99 99 99 409 51.1 0.618 -0.075 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7330 1556.0 2.8 scans 83% 174 m/z 1.4% 0.0206% 822 1.0 79 15765 0.0497% 148093 146673 356070 0-1 10: 174 73 86 91 175 250 100 59 65 130 0.964 14.16 37.7 91 93 93 100 250 13.7 3.034 0.568 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1126 Pyrazine 15.0634 1577.9 2.9 scans 58% 73 m/z 2.7% 0.0112% 853 1.0 58 8071 80461 76897 1-0 9: 73 344 227 301 147 345 139 228 154 0.734 15.13 -4.5 91 91 80 91 344 14.6 6.256 -0.069 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3706 1598.2 2.7 scans 80% TIC 1.0% 0.0182% 882 1.5 84 21660 0.0354% 130441 130441 253619 0-0 0.985 15.44 -4.8 94 93 90 95 393 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1036 Glutamic acic 15.4948 1606.8 2.6 scans 71% 246 m/z 4.0% 0.00725% 894 1.1 49 5611 51985 51985 0-1 4: 246 128 247 348 0.976 15.50 -0.6 96 96 94 98 363 5.9 1.452 -0.008 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1118 Phenylalanine 15.5968 1613.9 2.7 scans 67% 218 m/z 1.5% 0.0275% 904 1.1 92 14470 197131 185477 1-1 10: 218 192 219 91 100 193 220 194 65 132 0.941 15.66 -4.3 95 95 86 96 294 7.6 0.674 -0.062 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1038 Xylose 15.8820 1633.7 >3 scans 75% TIC 2.4% 0.0141% 931 0.8 67 9353 0.0850% 101514 101514 608973 0-0 0.952 15.89 -0.5 91 90 85 97 307 16.0 5.745 -0.008 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1040 Xylose 15.9956 1641.6 2.6 scans 87% TIC 0.60% 0.0617% 942 0.9 142 37192 0.0942% 442676 430498 674885 1-1 0.965 16.00 -0.5 97 96 97 99 307 37.3 6.905 -0.008 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1042 Ribose 16.0945 1648.4 2.7 scans 84% 73 m/z 1.1% 0.0322% 951 1.0 101 20233 0.116% 230715 203321 831069 3-4 20: 73 103 307 217 147 308 277 189 89 160 218 309 104 205 74 133 204 75 117 148 0.988 16.10 -0.6 96 94 96 97 307 28.5 7.893 -0.008 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN A-AMYRIN-N1010 Contamination?? 16.2176 1657.0 2.8 scans 49% 290 m/z 1.1% 0.0159% 963 1.7 64 18981 114596 107897 1-1 6: 290 291 292 158 392 393 0.802 16.28 -4.1 96 97 66 97 392 12.3 3.739 -0.058 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1108 Ribose 16.3092 1663.3 2.8 scans 91% TIC 0.56% 0.0883% 972 0.6 147 39903 0.120% 633003 603269 859726 0-1 0.991 16.38 -4.6 96 95 94 97 467 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6048 1683.9 2.7 scans 82% 73 m/z 1.6% 0.0270% 1000 1.6 90 13660 0.0356% 193632 190341 255052 1-0 18: 73 307 319 217 103 147 308 320 306 205 321 309 129 277 148 218 74 117 0.985 16.68 -4.9 97 97 94 98 497 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9163 1705.8 2.9 scans 86% 73 m/z 0.74% 0.0587% 1029 1.2 136 30339 0.205% 420913 420913 1468699 0-0 20: 73 217 147 103 205 307 319 218 129 204 320 308 206 189 133 243 74 148 309 191 0.971 16.99 -5.3 94 93 94 94 422 5.4 0.156 -0.073 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9878 1711.0 3.3 scans 85% TIC 1.0% 0.0485% 1036 1.4 112 20828 0.277% 347804 337948 1984535 0-1 0.976 17.06 -5.5 95 94 91 94 510 0.0 0.000 -0.074 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1044 Putrescine 17.1793 1725.0 2.7 scans 80% 174 m/z (73) 0.51% 0.0468% 1054 1.1 118 43928 335945 330466 0-1 20: 174 175 214 86 176 172 200 361 146 130 100 187 142 173 362 126 376 201 99 116 0.993 17.19 -0.6 97 97 97 99 376 8.8 0.547 -0.009 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1096 Putrescine 17.1793 1725.0 2.7 scans 69% 174 m/z 0.51% 0.0401% 1054 1.1 110 43955 287873 283178 0-1 20: 174 175 214 86 176 172 200 361 146 130 100 187 142 173 362 126 376 201 99 116 0.988 17.25 -5.0 97 96 94 99 458 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3687 1738.8 3.1 scans 75% TIC 2.9% 0.0129% 1072 1.2 64 7568 0.0186% 92648 92648 133258 0-0 0.973 17.44 -5.5 92 92 88 92 511 5.5 0.748 -0.074 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5571 1752.6 2.8 scans 94% 217 m/z 0.13% 0.242% 1090 1.0 272 171100 0.283% 1734854 1662914 2027521 6-1 20: 217 73 218 147 219 75 74 133 230 129 215 191 103 149 305 189 244 148 232 220 0.999 17.63 -5.4 97 95 96 98 450 29.8 1.196 -0.075 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1088 Glutamine?? 17.6381 1758.5 2.6 scans 55% 156 m/z (217) 1.0% 0.0457% 1098 1.4 114 20774 0.0502% 327438 294868 359652 1-3 17: 156 155 245 157 347 128 203 114 100 139 158 56 142 301 232 116 362 0.951 17.73 -6.4 86 89 85 88 511 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6907 1762.3 2.7 scans 44% 334 m/z (217) 3.8% 0.0209% 1103 0.9 77 5878 0.0234% 150299 134243 167647 2-0 10: 334 256 335 375 167 336 267 166 151 211 0.950 17.70 -0.6 82 82 73 90 375 10.3 1.798 -0.008 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1046 Shikimic acid 18.1210 1793.7 2.8 scans 68% 204 m/z 0.72% 0.0449% 1144 1.0 115 30873 322262 287236 4-2 15: 204 205 255 372 206 357 254 462 331 282 267 283 358 359 447 0.959 18.13 -0.3 96 96 91 97 372 15.2 1.739 -0.004 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1082 Citric acid 18.2473 1803.1 2.5 scans 95% 273 m/z 0.078% 0.666% 1156 0.8 459 288097 4777028 4633413 1-1 20: 273 73 147 347 375 363 274 465 211 75 148 149 275 305 376 221 74 348 364 257 0.997 18.32 -5.6 99 97 97 99 465 69.8 2.316 -0.074 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1076 Pregnane?? 18.7829 1843.9 3.2 scans 98% 345 m/z 0.022% 2.30% 1207 0.9 759 1012484 16503458 16358666 0-1 20: 345 73 346 255 147 347 334 204 191 256 435 419 133 372 74 257 148 348 239 537 1.000 18.86 -5.8 100 99 99 100 537 59.7 0.622 -0.075 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1074 Adenine 18.8702 1850.6 3.0 scans 55% 264 m/z 1.6% 0.0133% 1215 1.4 61 13742 0.209% 95902 87072 1497356 1-0 6: 264 279 265 266 192 84 0.993 18.94 -5.3 93 92 86 93 415 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1072 Fructose 18.9807 1859.0 7.0 scans 97% 73 m/z 0.013% 7.37% 1225 0.6 1140 1698385 10.3% 52871795 51807458 73793165 1-0 20: 73 307 217 103 147 308 277 309 218 189 133 364 74 205 117 104 219 89 148 365 1.000 19.03 -4.0 100 98 99 99 364 132.3 1.352 -0.052 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1050 Fructose 19.0038 1860.8 >3 scans 95% TIC 0.014% 4.15% 1228 1.2 1091 1536848 9.98% 29741775 29063297 71500562 0-1 1.000 18.98 1.8 100 99 100 100 364 128.3 1.390 0.024 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1052 Fructose 19.1343 1870.7 6.2 scans 96% 73 m/z 0.016% 7.65% 1240 0.3 1053 1407824 18.0% 54841612 52260111 128958929 2-1 20: 73 307 217 103 147 308 277 218 309 364 205 133 74 117 89 262 189 219 104 204 1.000 19.10 2.3 100 99 99 100 364 125.4 1.423 0.030 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN BRA4_R~2-N1004 Galactose 19.3710 1888.8 7.5 scans 68% 319 m/z (273) 0.012% 11.5% 1263 0.2 1186 1849618 82426164 81430002 1-2 20: 319 73 205 147 160 320 217 103 206 117 133 229 129 157 74 204 189 148 75 161 0.953 19.36 0.7 91 94 87 93 364 0.0 0.000 0.010 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1064 Mannose 19.3710 1888.8 7.5 scans 96% 319 m/z 0.0090% 16.0% 1263 0.2 1410 2499526 114685448 113299417 1-2 20: 319 73 205 147 160 320 217 103 206 117 133 229 129 157 74 204 189 148 75 161 0.999 19.45 -6.4 100 99 98 100 319 551.8 15.383 -0.084 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5078 1899.2 3.0 scans 23% 174 m/z 0.22% 0.0871% 1276 1.1 150 102197 0.109% 624376 604079 780918 1-0 13: 174 175 338 86 176 339 179 340 250 264 400 469 124 0.982 19.49 1.4 82 81 61 86 338 39.4 6.915 0.018 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1059 Glucose 19.5731 1904.4 2.8 scans 94% TIC 0.015% 4.34% 1282 0.4 1056 1440682 31135083 27118953 2-4 0.998 19.55 1.7 100 99 100 100 376 45.2 0.184 0.021 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1060 Lysine 19.6183 1908.1 3.2 scans 39% 317 m/z 1.9% 0.0263% 1286 1.3 84 11699 0.172% 188669 188669 1232274 0-0 17: 317 174 156 318 128 230 100 86 175 329 115 88 200 154 435 140 112 0.979 19.69 -6.0 86 85 81 91 479 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7193 1916.2 3.0 scans 59% 73 m/z 3.0% 0.0105% 1296 1.3 64 7391 0.0610% 75569 73740 437027 1-0 8: 73 319 205 244 147 307 117 320 0.923 19.79 -5.7 91 91 82 91 434 0.0 0.000 -0.072 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN N406_R~2-N1016 Galacturonic acid 19.7772 1920.8 2.5 scans 22% 333 m/z 5.1% 0.00346% 1301 1.3 33 4347 0.00538% 24794 24794 38544 0-0 3: 333 334 335 0.984 19.79 -1.3 89 91 82 90 423 3.5 1.111 -0.016 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2917 1962.2 2.8 scans 78% 147 m/z 0.84% 0.0488% 1350 0.9 121 26770 349827 318878 1-2 20: 147 394 217 307 103 395 333 433 218 277 189 393 117 308 148 221 305 219 434 407 0.883 20.30 -0.3 95 95 92 95 433 13.2 1.196 -0.004 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1054 Gluconic acid 3 20.4527 1975.1 >4 scans 47% 333 m/z 3.7% 0.00755% 1366 1.5 58 6024 0.0519% 54140 54140 371832 0-0 6: 333 73 292 147 319 334 0.871 20.55 -7.8 82 83 68 85 613 0.0 0.000 -0.096 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1052 Gluconic acid 2 20.5064 1979.5 2.8 scans 83% 73 m/z 0.91% 0.0486% 1370 1.0 126 24523 0.0890% 348776 348776 637630 0-0 20: 73 292 147 319 333 205 217 305 103 293 320 433 294 277 359 307 321 74 334 189 0.980 20.60 -7.2 95 94 93 94 613 0.0 0.000 -0.091 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN WTF2-N1038 C16:0 21.1314 2031.0 2.5 scans 92% 313 m/z 0.68% 0.0804% 1430 1.0 162 32924 576060 529367 5-1 20: 313 117 73 75 129 132 314 145 55 57 328 131 315 69 116 285 118 201 74 269 0.994 20.62 42.7 93 98 97 98 328 17.0 1.107 0.514 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN INOSIT~1-N1024 myo-Inositol 21.6932 2078.3 5.2 scans 100% 433 m/z 0.011% 11.4% 1483 0.4 1385 2027665 81850890 81661252 1-0 20: 433 434 394 369 322 392 245 370 406 232 396 173 378 332 109 54 391 437 365 158 0.998 21.75 -4.6 100 100 99 100 507 106.5 0.594 -0.056 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1042 myo-Inositol 21.6975 2078.6 4.6 scans 84% 217 m/z (433) 0.010% 9.53% 1484 0.3 1316 2165933 68301549 66501573 1-1 20: 217 305 73 147 318 191 306 265 319 218 204 307 129 320 133 432 367 148 219 192 0.995 21.77 -6.5 95 95 97 99 318 355.7 7.322 -0.077 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8521 2091.6 3.1 scans 95% 73 m/z 0.20% 0.290% 1498 1.2 271 109850 2078366 1993318 3-1 20: 73 319 205 147 320 103 217 321 262 117 206 74 204 157 133 148 89 229 376 129 0.998 21.93 -6.5 96 94 97 99 656 5.0 0.034 -0.078 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN GUANINE-N1026 Guanine 3TMS STD 22.0047 2104.6 2.1 scans 32% 352 m/z 8.0% 0.00178% 1513 1.0 26 2813 12793 12793 0-0 3: 352 353 367 1.000 22.05 -3.8 88 89 56 90 367 9.5 13.176 -0.044 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1032 trans-Caffeic acid 22.1804 2119.9 2.7 scans 90% 73 m/z 0.54% 0.0925% 1530 1.3 170 41166 0.154% 663050 663050 1103315 0-0 20: 73 396 219 319 397 147 205 381 320 103 398 217 307 220 191 321 249 74 382 133 0.993 22.25 -6.1 97 95 93 99 396 52.6 9.569 -0.070 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6486 2160.8 3.3 scans 83% 204 m/z 1.2% 0.0298% 1574 1.4 90 18088 0.0500% 213819 201929 358219 2-0 12: 204 73 205 217 147 249 361 206 117 145 131 191 0.981 22.71 -5.7 97 97 96 98 518 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN WTF2-N1036 C18:0 23.3757 2225.5 2.7 scans 89% 341 m/z 1.2% 0.0455% 1643 1.2 120 18056 0.0584% 326240 315227 418400 0-6 20: 341 73 117 75 132 342 129 145 55 356 57 343 69 83 201 97 118 297 131 116 0.989 22.89 43.7 92 97 95 97 356 16.2 1.822 0.487 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN BRA4_R~2-N1006 Spermidine 23.4915 2236.1 2.8 scans 48% 144 m/z 8.6% 0.00606% 1654 1.0 43 2599 43423 43423 0-1 9: 144 174 116 156 86 172 160 170 142 0.927 23.51 -1.6 88 92 75 90 490 3.6 0.717 -0.018 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1024 Glycerolgalactose 24.1028 2291.9 2.7 scans 91% 204 m/z 0.35% 0.106% 1712 1.3 177 63278 763696 713874 1-1 20: 204 73 147 217 205 337 103 206 129 361 218 219 101 191 74 148 133 203 131 339 0.986 24.18 -7.2 97 96 95 96 581 0.0 0.000 -0.079 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6341 2342.1 3.0 scans 92% 73 m/z 0.48% 0.151% 1763 0.5 182 46603 0.200% 1088293 1055656 1432877 2-3 20: 73 147 331 191 217 421 262 307 103 205 319 422 332 259 308 333 74 305 306 263 0.997 24.65 -1.5 99 97 98 99 466 10.2 0.311 -0.016 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7267 2350.9 2.8 scans 90% 73 m/z 0.85% 0.0688% 1772 1.1 139 26416 0.183% 493012 453693 1311082 1-3 20: 73 217 204 147 292 375 103 219 305 205 451 218 129 376 133 306 148 233 101 257 0.994 24.81 -7.5 95 95 94 94 451 16.0 1.324 -0.078 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3419 2509.2 2.6 scans 96% 204 m/z 0.064% 0.594% 1925 1.0 441 348374 0.719% 4261424 3970444 5151193 1-3 20: 204 73 147 205 495 217 206 117 496 363 129 74 130 273 103 131 75 191 143 231 1.000 26.35 -0.8 100 99 99 99 495 82.5 3.517 -0.008 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4281 2518.1 3.2 scans 74% 73 m/z 1.1% 0.0422% 1933 0.9 121 20084 0.567% 302858 302858 4062206 0-0 20: 73 204 217 147 218 129 741 740 231 232 191 131 221 243 406 143 75 103 148 74 0.974 26.52 -9.5 90 90 86 90 740 13.8 1.316 -0.093 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5197 2527.5 4.1 scans 73% TIC 0.64% 0.120% 1942 1.4 157 35151 0.638% 865372 775699 4570878 0-2 0.879 26.57 -5.6 98 98 91 98 512 52.9 11.310 -0.053 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1020 Sucrose 27.3962 2618.7 9.2 scans 10% 438 m/z (361) 0.039% 1.82% 2025 1.4 426 572938 13090994 13053576 1-0 16: 438 439 320 453 440 333 450 347 454 367 335 466 172 374 194 433 0.839 27.46 -6.9 96 97 97 99 437 264.2 38.538 -0.065 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1010 Sucrose 27.4035 2619.5 9.0 scans 98% 361 m/z 0.0068% 18.1% 2026 1.1 1346 3298978 129801668 129132532 1-0 16: 361 362 363 364 305 308 163 292 263 322 150 277 426 409 539 266 0.997 27.58 -18.7 100 99 98 99 437 254.6 3.603 -0.175 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1018 Sucrose 27.4067 2619.8 8.9 scans 50% 361 m/z (73) 0.0067% 9.38% 2026 1.0 966 3324279 67245872 66191703 1-1 20: 361 319 204 219 307 423 231 205 272 229 305 155 291 321 104 215 306 424 308 247 0.860 27.47 -6.7 92 95 57 93 437 264.2 7.544 -0.063 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1008 Sucrose 27.4067 2619.8 8.9 scans 99% 361 m/z 0.0067% 18.1% 2026 1.0 1350 3317914 129759661 127725504 1-1 20: 361 319 204 219 307 423 231 205 272 229 305 155 291 321 104 215 306 424 308 247 0.998 27.59 -19.7 100 99 97 99 437 255.0 3.593 -0.184 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1014 Sucrose 27.4088 2620.0 9.0 scans 90% TIC 0.0067% 14.2% 2026 0.7 1287 3324279 16.8% 101828445 98381655 120361667 1-0 1.000 27.49 -8.7 100 100 99 100 437 263.8 4.235 -0.081 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN LQC1-N1006 Trehalose 28.3621 2723.0 3.0 scans 62% 361 m/z 2.2% 0.0145% 2117 1.2 67 10122 0.0460% 104498 99570 329562 0-1 5: 361 362 191 271 363 0.921 28.47 -11.9 92 92 83 94 565 0.0 0.000 -0.106 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN GUA35_L1-N1020 Galactinol 30.1382 2924.0 3.0 scans 82% 204 m/z 1.1% 0.0343% 2286 1.3 96 19345 0.0631% 245878 205926 452073 0-4 20: 204 73 217 205 191 147 305 206 433 103 361 129 218 318 230 306 434 343 192 148 0.993 30.55 -48.4 87 93 93 95 641 7.3 0.577 -0.407 G:\GCMS data\Nicotiana Panel polar\P_QC5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.5986 3097.5 3.0 scans 93% TIC 0.17% 0.267% 2425 0.9 270 129565 2.51% 1913033 1718679 17982606 0-4 0.998 31.68 -9.1 99 98 98 98 597 47.6 3.117 -0.076 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN EXBLK5S-N1006 Contamination 6.6121 1062.5 5.2 scans 69% TIC 1.2% 0.0451% 50 1.2 84 17801 0.165% 233279 189409 852674 5-0 0.983 6.63 -0.8 97 97 93 97 295 24.9 8.674 -0.013 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN A-KETO~2-N1006 Contamination?? 7.9800 1143.6 2.8 scans 75% 156 m/z 3.6% 0.0112% 180 1.1 54 6178 58130 57778 2-0 6: 156 75 55 157 54 61 0.982 7.96 1.4 98 97 94 97 156 29.0 28.923 0.023 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1192 Contamination 8.0599 1148.4 2.6 scans 75% 147 m/z 3.4% 0.0165% 188 0.8 63 6521 0.0216% 85365 76107 111623 1-3 15: 147 73 133 235 220 146 59 72 86 148 103 89 100 160 131 0.964 7.99 4.2 94 95 89 95 235 11.9 3.573 0.071 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1188 Contamination 8.3787 1167.3 3.6 scans 88% 281 m/z 1.1% 0.0690% 218 1.4 107 19532 0.0828% 356638 326815 427887 0-4 20: 281 147 73 369 282 265 370 249 371 191 251 148 193 207 266 149 284 267 250 74 0.997 8.41 -2.1 98 97 82 99 369 30.3 7.969 -0.036 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1186 Phosphate 8.5955 1180.1 2.6 scans 89% 241 m/z 1.0% 0.0314% 238 1.2 89 22095 162357 159023 1-0 14: 241 242 211 133 163 243 195 135 89 98 137 121 181 212 0.981 8.56 2.1 98 98 94 98 299 0.0 0.000 0.034 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1180 Benzoic acid 9.7708 1249.1 3.5 scans 48% 179 m/z 15% 0.00381% 350 0.7 25 1453 19734 17941 1-1 4: 179 105 135 77 0.962 9.76 0.6 91 93 83 93 194 3.2 1.576 0.012 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN VEN77_S6-N1002 Glycerol 10.1043 1268.7 2.7 scans 98% 299 m/z 0.020% 1.75% 382 0.6 654 1126999 9071971 8930333 1-0 20: 299 300 73 314 301 211 133 283 315 207 193 191 135 147 302 316 225 74 181 115 0.999 10.09 0.7 100 99 96 100 299 392.0 36.152 0.010 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN A-AMYRIN-N1012 Contamination?? 10.2559 1277.5 3.0 scans 66% 198 m/z 4.3% 0.00785% 396 1.0 43 5196 40578 38879 1-0 4: 198 73 77 211 0.918 10.24 0.9 91 91 83 91 381 4.5 1.101 0.016 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1012 Proline 10.5347 1293.8 3.3 scans 92% TIC 0.21% 0.175% 423 0.6 180 103187 1.80% 904836 804945 9301901 5-0 0.998 10.53 0.0 99 98 98 99 216 33.6 3.471 0.002 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1014 Maleic acid 10.6136 1298.5 2.7 scans 95% 147 m/z 0.095% 0.379% 430 0.9 307 235949 0.446% 1961168 1884749 2304804 1-1 20: 147 73 148 245 75 83 149 74 133 115 246 143 59 84 170 58 54 126 61 215 0.996 10.60 0.7 99 98 98 99 245 68.7 5.007 0.012 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN EXBLK5S-N1002 d4-Succinic acid 10.7578 1307.1 2.7 scans 97% TIC 0.028% 1.29% 444 0.8 559 786158 6684446 6362776 1-1 0.995 10.76 -0.0 99 97 96 100 251 127.3 5.215 -0.000 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1168 Glyceric acid 11.0229 1323.1 2.5 scans 94% 73 m/z 0.57% 0.0965% 469 1.1 158 39074 499166 449132 3-6 20: 73 147 189 292 133 205 103 293 307 102 117 190 74 75 148 294 59 191 101 175 0.997 11.05 -1.8 99 97 97 99 292 44.4 7.928 -0.031 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0924 1327.2 2.6 scans 77% 184 m/z 6.0% 0.0113% 476 1.0 54 3717 0.0160% 58577 58033 82684 1-1 10: 184 285 134 174 86 77 100 59 286 185 0.970 11.06 1.7 96 97 90 97 285 16.9 9.629 0.029 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1018 Uracil 11.1471 1330.5 2.5 scans 47% 241 m/z 22% 0.00182% 481 1.6 22 1009 0.00212% 9403 9403 10956 0-0 2: 241 99 0.978 11.15 -0.1 92 97 95 97 256 7.7 11.833 -0.001 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1162 Fumaric acid 11.3680 1343.8 2.4 scans 97% 245 m/z 0.15% 0.237% 502 0.9 259 143280 1225343 1196096 1-1 20: 245 73 147 246 75 143 83 247 133 148 149 74 155 115 53 59 84 61 157 58 1.000 11.39 -1.5 100 99 98 99 245 139.8 29.047 -0.025 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4617 1349.5 3.5 scans 32% 57 m/z (84 204) 1.6% 0.0341% 511 1.0 75 13484 0.0424% 176654 154297 219111 1-4 8: 57 97 127 69 109 111 129 128 0.940 11.45 1.0 93 98 95 98 145 20.5 7.443 0.016 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN WTF2-N1024 Contamination 10.96min 11.4859 1350.9 2.9 scans 86% 84 m/z (204) 0.20% 0.215% 513 1.0 220 110245 1112138 1041246 2-1 19: 84 133 161 162 119 92 51 82 65 118 78 85 63 91 134 130 52 64 104 0.993 10.96 31.9 94 97 98 99 161 51.3 5.465 0.530 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1020 Serine 11.5122 1352.5 2.7 scans 80% 204 m/z 0.39% 0.149% 516 0.9 190 57408 770162 747010 2-1 18: 204 73 218 205 100 147 219 278 206 74 306 220 116 189 203 190 216 114 0.992 11.51 -0.1 99 98 96 99 306 20.4 1.146 -0.001 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN BRA4_R~2-N1008 Thymine 11.5974 1357.6 3.3 scans 35% 255 m/z 13% 0.00150% 524 0.7 18 1668 7775 7775 0-0 2: 255 270 0.864 11.58 0.8 87 97 71 95 270 7.8 18.213 0.013 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1024 Threonine 11.9183 1377.0 2.7 scans 91% 73 m/z 1.0% 0.0499% 554 1.2 114 20570 258200 257931 0-1 20: 73 218 219 291 117 292 101 220 147 57 100 293 128 75 132 320 221 203 74 118 0.996 11.92 -0.1 99 98 97 99 320 9.8 0.738 -0.003 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1148 Glutamine?? 13.3125 1463.7 2.8 scans 92% TIC 0.66% 0.0692% 687 0.6 124 34079 0.106% 357899 357892 547779 1-0 0.998 13.35 -2.2 95 93 95 98 257 9.2 0.547 -0.035 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1146 Malic acid 13.6071 1482.2 6.0 scans 99% 73 m/z 0.0079% 14.9% 715 0.3 1341 2825747 77511263 77478348 1-0 20: 73 147 233 245 133 189 190 148 75 191 335 74 175 101 55 234 149 217 265 307 0.999 13.62 -0.6 100 100 100 100 350 35.8 0.071 -0.010 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1142 Erythritol/Threitol 13.7123 1488.9 2.6 scans 82% 73 m/z 2.0% 0.0245% 725 0.9 83 10808 9.18% 126942 126212 47439698 0-1 14: 73 217 147 205 103 117 307 204 189 191 133 218 293 148 0.985 13.89 -11.2 95 94 94 96 320 7.3 0.769 -0.178 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1144 Contamination Parabanica acid 13.7881 1493.6 3.9 scans 64% 115 m/z (73) 5.4% 0.0182% 732 0.6 57 4116 0.0201% 94362 94362 103871 0-0 6: 115 100 243 128 244 116 0.926 13.81 -1.2 91 94 81 93 243 22.1 15.068 -0.018 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1028 Aspartic acid 14.0248 1509.0 2.6 scans 42% 232 m/z 0.48% 0.0652% 754 1.4 125 46622 337408 301685 1-1 17: 232 233 100 218 202 234 188 216 219 306 130 220 204 235 292 203 189 0.972 14.02 0.5 95 93 90 97 258 3.9 0.000 0.008 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1138 Pyroglutamic acid 14.0606 1511.4 3.0 scans 92% 156 m/z 0.086% 0.461% 758 0.6 317 262090 2384521 2308054 1-1 17: 156 147 230 258 157 75 158 59 140 72 58 259 231 148 112 55 86 0.992 14.11 -3.3 98 96 97 99 273 12.7 0.161 -0.049 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1032 GABA 14.1911 1520.0 2.6 scans 91% 174 m/z 0.41% 0.128% 770 1.2 177 55045 662514 592228 4-4 19: 174 73 304 147 175 86 176 305 59 216 306 143 133 74 246 172 148 100 130 0.997 14.19 0.2 100 99 98 99 304 52.9 8.981 0.003 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6025 1547.3 2.7 scans 87% TIC 0.94% 0.0563% 809 1.5 113 23887 0.0754% 291168 279968 389646 0-1 0.986 14.62 -1.3 97 96 94 97 409 7.6 0.454 -0.019 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1126 Pyrazine 15.0697 1578.3 2.7 scans 82% 73 m/z 1.9% 0.0305% 854 0.9 88 11517 157858 153898 1-0 20: 73 344 227 301 154 345 228 302 139 211 126 346 133 74 155 329 213 212 112 229 0.966 15.13 -4.1 97 96 90 97 344 26.0 8.651 -0.062 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3706 1598.2 2.7 scans 78% TIC 1.9% 0.0215% 882 2.1 66 11863 0.0922% 111161 94352 476464 0-1 0.974 15.44 -4.8 94 93 89 93 393 0.0 0.000 -0.069 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1036 Glutamic acic 15.4958 1606.9 2.4 scans 75% 246 m/z 2.9% 0.0136% 894 1.0 62 7587 70306 70306 0-0 8: 246 128 247 248 230 348 84 156 0.968 15.50 -0.5 95 93 89 100 363 6.8 1.204 -0.007 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1038 Xylose 15.8799 1633.5 3.7 scans 68% 73 m/z 4.3% 0.0135% 931 2.0 49 5140 0.0408% 70038 65828 210843 0-2 5: 73 217 103 307 218 0.921 15.89 -0.7 92 92 88 94 307 12.1 6.140 -0.010 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1040 Xylose 15.9945 1641.5 2.7 scans 85% TIC 1.2% 0.0414% 942 0.8 104 18080 0.0558% 214323 210687 288359 2-0 0.970 16.00 -0.6 94 93 93 96 307 26.0 6.270 -0.009 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1042 Ribose 16.0935 1648.4 2.7 scans 82% TIC 2.0% 0.0211% 951 0.8 75 10770 0.158% 109220 108981 816500 1-0 0.981 16.10 -0.6 96 95 92 96 307 21.3 8.001 -0.010 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN A-AMYRIN-N1010 Contamination?? 16.2166 1656.9 2.9 scans 70% 290 m/z 1.0% 0.0334% 963 1.8 82 22441 173078 160639 1-4 8: 290 291 158 292 392 117 144 393 0.950 16.28 -4.2 98 98 90 98 392 13.3 2.636 -0.059 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6027 1683.7 2.7 scans 86% 73 m/z 1.3% 0.0436% 999 1.3 105 16870 0.0644% 225447 213109 332801 1-0 20: 73 307 319 103 217 147 320 308 306 205 309 277 129 321 229 133 74 218 148 243 0.992 16.68 -5.1 98 97 95 98 497 0.0 0.000 -0.073 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1104 Rhamnose 16.8637 1701.9 2.6 scans 74% TIC 2.9% 0.0133% 1024 1.1 66 7634 0.104% 68975 68776 537443 1-0 0.973 16.93 -5.0 81 81 82 84 392 5.4 0.678 -0.068 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9142 1705.6 2.8 scans 80% 73 m/z 1.1% 0.0443% 1029 1.4 112 19809 0.204% 229183 229183 1054216 0-0 20: 73 217 103 147 307 205 319 318 218 320 204 206 308 129 189 219 133 74 148 243 0.974 16.99 -5.5 96 95 93 95 422 3.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9868 1710.9 3.1 scans 77% 73 m/z 2.0% 0.0286% 1036 1.1 84 10924 0.191% 148066 147228 987035 0-2 16: 73 217 305 147 319 103 307 205 218 204 189 320 129 308 277 74 0.988 17.06 -5.6 93 92 88 92 510 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1044 Putrescine 17.1783 1724.9 2.6 scans 70% 174 m/z (73) 1.1% 0.0255% 1054 1.2 81 19607 131971 131971 0-0 11: 174 175 214 172 176 86 200 130 100 361 142 0.992 17.19 -0.7 96 97 96 98 376 5.9 0.535 -0.010 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1096 Putrescine 17.1783 1724.9 2.6 scans 57% 174 m/z 1.1% 0.0208% 1054 1.2 73 19607 107824 107824 0-0 11: 174 175 214 172 176 86 200 130 100 361 142 0.961 17.25 -5.1 97 96 92 97 458 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3666 1738.7 2.5 scans 52% 292 m/z 6.3% 0.00627% 1072 1.0 41 3535 32411 32411 0-0 2: 292 333 0.919 17.44 -5.6 84 86 75 85 511 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5560 1752.5 2.6 scans 93% 217 m/z 0.17% 0.258% 1090 1.0 257 132624 0.264% 1334150 1184898 1364279 7-1 20: 217 73 218 147 219 74 75 232 133 451 305 191 129 148 257 149 169 452 189 103 0.999 17.63 -5.5 97 96 96 98 450 34.4 1.791 -0.076 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1088 Glutamine?? 17.6370 1758.4 2.7 scans 71% 156 m/z (217) 0.67% 0.119% 1098 1.1 163 33530 616407 533680 1-7 20: 156 155 245 75 157 128 347 203 131 139 145 114 348 158 116 56 362 115 232 301 0.980 17.73 -6.5 90 91 93 93 511 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1086 Fructofuranose 18.0537 1788.8 2.7 scans 92% TIC 0.19% 0.283% 1137 1.4 260 116133 1.02% 1462832 1462832 5271078 0-0 0.986 18.13 -5.8 96 94 92 97 437 72.6 7.785 -0.080 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1084 Shikimic acid 18.1158 1793.3 2.5 scans 20% 204 m/z 0.72% 0.0415% 1143 0.9 97 31007 214900 180653 5-3 16: 204 255 372 357 254 206 462 358 283 282 267 195 373 359 151 181 0.681 18.20 -5.9 94 95 90 97 462 11.0 1.283 -0.081 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1082 Citric acid 18.2399 1802.5 2.6 scans 93% TIC 0.14% 0.428% 1155 1.1 335 153603 1.01% 2214432 2148896 5219400 1-1 0.978 18.32 -6.2 99 97 96 99 465 49.1 2.151 -0.081 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5682 1827.6 5.1 scans 85% TIC 0.56% 0.182% 1186 1.9 162 40239 0.710% 941814 941814 3669083 0-0 0.971 18.67 -7.7 93 93 93 94 319 33.3 4.227 -0.101 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1076 Pregnane?? 18.7671 1842.7 2.7 scans 95% 345 m/z 0.11% 0.524% 1205 1.0 364 193852 2708067 2599938 1-1 20: 345 73 346 255 147 347 204 256 334 191 419 74 133 372 435 75 148 257 239 149 0.998 18.86 -7.0 100 99 98 99 537 28.4 0.608 -0.091 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1074 Adenine 18.8691 1850.5 3.4 scans 13% 264 m/z 9.3% 0.00267% 1215 1.4 23 2420 0.0123% 13809 12847 63563 1-0 3: 264 279 265 0.923 18.94 -5.4 83 85 71 90 415 0.0 0.000 -0.070 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1072 Fructose 18.9533 1856.9 3.4 scans 95% 73 m/z 0.037% 2.12% 1223 0.9 656 602718 10997410 10189453 2-1 20: 73 307 103 217 147 308 277 218 133 309 74 117 364 205 189 104 89 219 148 75 1.000 19.03 -6.1 100 98 99 99 364 70.1 1.148 -0.080 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1052 Fructose 19.0828 1866.8 4.2 scans 95% TIC 0.049% 2.06% 1235 0.7 562 452850 18.6% 10651157 10516076 96119649 1-0 0.996 19.10 -1.6 99 99 99 99 364 59.4 1.117 -0.021 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1068 Galactopyranose 19.2185 1877.2 2.8 scans 88% 204 m/z 0.050% 0.986% 1248 1.2 495 447327 9.43% 5098643 5094951 48731628 1-0 19: 204 73 191 147 205 217 206 129 192 74 218 133 117 189 75 193 148 305 291 0.997 19.32 -7.3 97 96 94 99 435 34.9 0.497 -0.097 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1064 Mannose 19.3195 1884.9 4.4 scans 96% 73 m/z 0.0095% 12.9% 1258 0.3 1425 2361865 13.5% 66772894 61145340 69764261 1-1 20: 73 319 205 147 160 217 320 103 206 321 117 129 229 133 74 157 161 189 148 207 0.997 19.45 -10.3 100 99 99 100 319 567.4 15.928 -0.136 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1066 Glucose 19.3195 1884.9 4.4 scans 59% 73 m/z (273) 0.0094% 8.27% 1258 0.3 1117 2397480 8.65% 42755660 39152254 44700804 1-1 20: 73 319 205 147 160 217 320 103 206 321 117 129 229 133 74 157 161 189 148 207 0.972 19.40 -6.0 84 85 72 88 319 571.7 26.233 -0.080 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1059 Glucose 19.5383 1901.6 3.2 scans 94% 319 m/z (273) 0.030% 2.88% 1278 0.5 752 741996 14895713 14407023 1-1 20: 319 73 205 147 320 160 217 103 321 133 206 117 229 74 148 129 89 204 157 75 0.997 19.55 -1.1 98 99 99 99 376 31.0 0.170 -0.014 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1062 Glucose 19.5383 1901.6 3.2 scans 94% 319 m/z 0.030% 2.81% 1278 0.5 751 750970 14539090 14062100 1-1 20: 319 73 205 147 320 160 217 103 321 133 206 117 229 74 148 129 89 204 157 75 0.988 19.66 -9.5 99 99 97 99 319 274.1 13.366 -0.118 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1060 Lysine 19.6004 1906.6 2.8 scans 17% 174 m/z 12% 0.00415% 1284 1.0 31 1794 0.0223% 21494 21494 115240 0-0 4: 174 317 156 128 0.939 19.69 -7.5 81 85 72 84 479 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7035 1914.9 2.8 scans 73% 73 m/z 1.6% 0.0300% 1294 1.2 92 13957 0.231% 155323 153732 1193744 0-1 15: 73 244 147 319 205 117 217 321 320 89 103 148 307 59 206 0.974 19.79 -7.0 93 93 90 93 434 0.0 0.000 -0.087 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1056 Ascorbic acid 19.8929 1930.1 2.8 scans 92% 73 m/z 0.19% 0.329% 1312 0.9 272 114670 0.345% 1704041 1420523 1782864 4-10 20: 73 332 147 333 117 205 374 334 359 133 345 148 74 449 149 331 361 75 259 215 0.998 19.99 -7.6 99 98 97 99 449 28.5 1.101 -0.093 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN GUA35_L1-N1008 Glucopyranose 20.2833 1961.5 2.4 scans 97% 204 m/z 0.032% 1.49% 1349 0.9 638 686920 7749599 7465732 1-1 20: 204 73 191 147 205 217 206 192 129 74 218 133 189 103 75 148 193 117 305 291 0.999 20.41 -10.5 99 98 98 99 217 134.3 4.448 -0.131 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1050 Gluconic acid 20.5548 1983.3 2.7 scans 76% 73 m/z 1.5% 0.0363% 1375 1.1 98 14280 0.120% 187885 187707 620127 0-1 20: 73 333 292 147 305 334 319 293 335 423 359 205 294 148 103 189 433 277 307 306 0.962 20.65 -7.6 94 94 89 94 613 4.5 0.216 -0.093 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN WTF2-N1038 C16:0 21.1240 2030.4 2.7 scans 90% 313 m/z 0.96% 0.0783% 1429 1.1 143 23482 0.0787% 404852 400946 406700 1-1 20: 313 117 73 75 132 129 314 55 145 57 328 315 131 201 118 69 116 285 83 133 0.987 20.62 42.1 93 97 96 98 328 14.8 1.062 0.507 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6869 2077.7 5.2 scans 98% 508 m/z 0.011% 16.0% 1483 0.3 1456 2015687 82884406 82884406 1-0 20: 508 509 420 612 436 370 510 255 613 76 371 347 523 422 397 615 82 597 273 84 0.996 21.75 -5.2 100 100 99 100 507 114.4 0.620 -0.062 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1044 myo-Inositol 21.6912 2078.1 5.1 scans 28% 434 m/z (305 508) 0.015% 4.55% 1483 0.2 786 1461165 23549346 23540326 1-0 20: 434 507 435 395 417 420 612 244 255 522 327 202 60 409 65 524 97 315 615 86 0.842 21.77 -6.3 82 91 81 90 612 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1042 myo-Inositol 21.6964 2078.5 4.7 scans 84% 305 m/z (434) 0.010% 13.1% 1484 0.2 1400 2238178 67988480 67122052 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 320 433 367 129 133 291 192 0.984 21.77 -6.6 93 92 95 98 318 410.4 8.618 -0.078 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8553 2091.9 3.0 scans 94% 319 m/z 0.11% 0.730% 1499 0.8 394 203097 3774194 3353208 3-3 20: 319 73 205 147 320 217 103 262 321 117 206 204 74 229 89 133 148 263 157 291 0.999 21.93 -6.2 95 92 96 99 656 9.7 0.060 -0.075 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1751 2119.5 2.6 scans 93% 396 m/z 0.44% 0.155% 1529 1.0 206 51030 0.164% 804114 777649 847507 1-1 20: 396 219 73 397 381 398 220 191 307 382 293 249 75 74 383 221 399 308 233 135 0.999 22.19 -1.0 97 94 91 99 396 83.4 16.437 -0.011 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6508 2161.0 3.5 scans 89% TIC 0.58% 0.104% 1574 1.4 142 38719 0.170% 539388 510397 878513 1-0 0.988 22.71 -5.5 96 93 95 99 518 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN WTF2-N1036 C18:0 23.3757 2225.5 2.7 scans 89% 341 m/z 1.4% 0.0549% 1643 1.2 117 15817 0.0637% 283789 265572 329184 1-5 19: 341 117 75 132 342 129 145 55 356 57 201 118 69 116 297 131 313 56 83 0.992 22.89 43.7 91 96 93 97 356 15.5 1.754 0.487 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1028 Glycerolgalactose 24.1007 2291.7 >3 scans 50% TIC 7.5% 0.00265% 1712 1.4 32 3000 0.00852% 13700 13700 44029 0-0 0.860 24.01 8.2 81 85 70 83 490 0.0 0.000 0.091 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6352 2342.2 3.1 scans 90% TIC 0.39% 0.266% 1763 0.6 210 57589 0.328% 1377889 1299162 1695013 7-2 0.968 24.65 -1.4 98 97 96 99 466 12.2 0.338 -0.015 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7278 2351.0 2.8 scans 90% 73 m/z 1.1% 0.0668% 1772 1.0 126 19475 0.246% 345701 320392 1271260 1-2 20: 73 217 204 147 375 292 103 451 219 376 293 129 363 233 148 74 452 294 333 75 0.992 24.81 -7.4 94 94 92 94 451 15.3 1.481 -0.077 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3387 2508.9 2.7 scans 91% 204 m/z 0.44% 0.132% 1925 0.9 178 50424 0.445% 685609 616782 2299637 6-1 20: 204 73 495 147 205 217 496 206 117 273 259 143 319 130 231 74 129 191 103 75 0.997 26.35 -1.1 96 95 96 95 495 33.3 3.512 -0.011 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4292 2518.2 2.9 scans 93% 73 m/z 0.31% 0.261% 1933 1.1 245 72197 0.494% 1351290 1313314 2552855 2-1 20: 73 204 217 147 218 129 205 131 191 231 148 117 75 232 74 103 143 245 130 363 0.999 26.52 -9.4 95 94 94 95 740 29.3 1.435 -0.092 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5186 2527.4 2.9 scans 88% TIC 0.63% 0.138% 1942 1.0 180 35383 0.525% 717246 679256 2713055 0-3 0.972 26.57 -5.7 100 99 97 99 512 62.4 12.058 -0.054 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1020 Sucrose 27.3951 2618.6 7.7 scans 10% 437 m/z (361) 0.039% 2.18% 2025 1.2 452 575354 11315661 11313993 1-0 20: 437 451 439 440 454 322 274 99 207 246 234 426 158 177 467 455 310 239 61 323 0.683 27.46 -7.0 92 95 91 98 437 280.1 38.560 -0.066 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1010 Sucrose 27.3951 2618.6 7.7 scans 100% 437 m/z 0.0066% 21.6% 2025 1.2 1431 3394816 112042851 112026336 1-0 20: 437 451 439 440 454 322 274 99 207 246 234 426 158 177 467 455 310 239 61 323 0.996 27.58 -19.6 100 99 98 99 437 279.9 3.854 -0.184 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1018 Sucrose 27.4067 2619.8 7.6 scans 71% 361 m/z (217) 0.0066% 13.9% 2026 0.5 1220 3394816 16.3% 72003864 69629889 84233886 1-0 20: 361 362 363 364 191 331 272 219 229 244 450 332 333 143 170 155 104 193 175 241 0.980 27.47 -6.7 87 89 75 88 437 280.1 5.297 -0.063 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1014 Sucrose 27.4077 2619.9 >6 scans 89% TIC 0.0066% 17.1% 2026 0.5 1367 3377852 20.3% 88686234 85520961 104904778 1-0 0.999 27.49 -8.8 100 99 99 100 437 279.8 4.223 -0.082 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1008 Sucrose 27.4309 2622.4 7.6 scans 96% 361 m/z 0.0069% 6.22% 2029 2.1 1428 3239912 21.3% 32178625 31702977 110072501 0-1 20: 361 73 217 147 271 103 129 169 218 243 319 191 74 219 331 272 117 189 149 148 1.000 27.59 -17.1 100 99 98 99 437 246.8 3.005 -0.160 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN LQC1-N1006 Trehalose 28.3589 2722.6 2.9 scans 58% 361 m/z 3.3% 0.0118% 2117 0.9 56 6669 0.0380% 61421 61421 196373 0-0 5: 361 362 363 191 271 0.938 28.47 -12.3 89 88 76 91 565 0.0 0.000 -0.109 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN GUA35_L1-N1020 Galactinol 30.1371 2923.9 >3 scans 82% 204 m/z 1.2% 0.0471% 2286 1.3 99 18274 0.134% 243792 208338 692475 0-3 16: 204 191 73 205 433 305 147 361 217 641 230 103 218 642 306 362 0.993 30.55 -48.5 87 93 91 94 641 8.3 0.708 -0.408 G:\GCMS data\Nicotiana Panel polar\P_RUST_REP5.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6186 3099.8 3.0 scans 64% 204 m/z 4.9% 0.0112% 2426 0.9 47 4558 0.0998% 58338 52107 515739 1-1 7: 204 205 597 103 217 361 129 0.967 31.68 -6.8 87 87 79 87 597 9.3 3.921 -0.056 G:\GCMS data\Nicotiana Panel polar\P_TAB_REP5.FIN WTF2-N1018 Fructose 18.9753 1858.6 3.0 scans 92% TIC 3.9% 3.48% 1225 1.4 42 3809 49693 45767 2-1 0.990 18.52 34.3 87 90 87 90 364 5.1 1.478 0.450 G:\GCMS data\Nicotiana Panel polar\P_TAB_REP5.FIN BRA4_R~2-N1004 Galactose 19.3120 1884.3 4.6 scans 93% 73 m/z 3.3% 7.03% 1257 1.8 47 4426 9.13% 100318 82944 130121 11-5 11: 73 319 205 147 160 320 133 74 103 117 75 1.000 19.36 -3.8 89 89 82 90 364 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\P_TAB_REP5.FIN INOSIT~1-N1024 myo-Inositol 21.6890 2077.9 4.5 scans 96% 73 m/z 2.9% 9.99% 1483 2.5 57 5041 142495 141959 0-2 13: 73 305 147 217 191 318 306 204 307 218 319 129 133 1.000 21.75 -5.0 92 92 87 92 507 4.2 0.542 -0.060 G:\GCMS data\Nicotiana Panel polar\P_TAB_REP5.FIN LQC1-N1014 Sucrose 27.4466 2624.1 4.6 scans 95% 361 m/z 7.5% 3.01% 2030 2.6 29 1979 42917 42917 0-1 2: 361 217 0.985 27.49 -4.6 87 87 69 87 437 6.4 4.740 -0.043 G:\GCMS data\Nicotiana Panel polar\QC1.FIN EXBLK5S-N1006 Contamination 6.5899 1061.2 2.9 scans 57% 207 m/z 3.4% 0.0161% 48 1.5 64 7490 0.0341% 106754 69105 225573 11-4 8: 207 73 295 208 209 296 191 297 0.918 6.63 -2.1 94 94 86 94 295 18.5 8.228 -0.035 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1194 Alanine 7.3738 1107.7 5.7 scans 81% 116 m/z 1.3% 0.0386% 123 0.4 94 19396 0.0722% 255586 255586 477605 0-0 9: 116 73 147 117 59 118 100 148 74 0.985 7.40 -1.8 96 95 94 96 283 0.0 0.000 -0.030 G:\GCMS data\Nicotiana Panel polar\QC1.FIN A-KETO~2-N1006 Contamination?? 7.8725 1137.3 2.6 scans 75% 156 m/z 4.0% 0.00892% 170 1.3 60 6516 0.0111% 59047 52673 73427 8-2 6: 156 75 55 157 61 54 0.970 7.96 -4.9 97 98 93 97 156 33.6 31.304 -0.084 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1192 Contamination 7.9557 1142.2 2.6 scans 80% 73 m/z 3.8% 0.0123% 178 1.2 74 6800 0.0225% 81491 80983 148838 1-0 14: 73 147 133 220 235 146 59 72 86 148 152 160 74 100 0.984 7.99 -2.0 96 96 92 96 235 14.8 4.031 -0.033 G:\GCMS data\Nicotiana Panel polar\QC1.FIN WTF2-N1026 Cadaverine NC 8.1872 1155.9 3.7 scans 53% 174 m/z 12% 0.00307% 199 1.4 29 2065 0.00707% 20348 20348 46768 0-0 3: 174 175 142 0.989 7.74 26.7 90 93 84 93 216 7.1 5.948 0.451 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1188 Contamination 8.3723 1166.9 3.7 scans 88% 281 m/z 2.0% 0.0317% 217 1.2 95 12951 0.0400% 210084 181920 264601 7-0 12: 281 369 147 282 73 283 265 266 148 149 284 250 0.993 8.41 -2.5 98 97 85 99 369 28.5 9.039 -0.043 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1190 Contamination 8.4334 1170.5 2.8 scans 74% 73 m/z 3.5% 0.0114% 223 1.1 68 7317 0.0235% 75900 75494 155453 0-1 11: 73 140 211 77 198 69 126 70 186 215 74 0.984 8.48 -3.0 94 93 90 94 309 6.9 1.035 -0.051 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1186 Phosphate 8.5197 1175.6 2.4 scans 87% 241 m/z 1.2% 0.0207% 231 1.2 97 20972 136935 124799 1-2 16: 241 242 211 133 256 163 195 243 135 89 98 59 119 137 121 165 0.995 8.56 -2.4 99 99 95 99 299 0.0 0.000 -0.041 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1184 Valine 9.1499 1212.8 2.9 scans 87% 144 m/z 1.4% 0.0232% 291 1.0 92 18175 153876 142064 5-3 11: 144 73 218 145 147 219 100 146 74 59 133 0.991 9.19 -2.2 99 98 96 98 218 28.4 9.496 -0.038 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1180 Benzoic acid 9.7202 1246.2 2.9 scans 93% 179 m/z 0.75% 0.0697% 345 1.5 151 34540 461559 414822 2-5 18: 179 105 135 77 180 136 51 194 50 181 106 76 89 137 193 78 59 74 0.997 9.76 -2.3 100 99 97 99 194 21.3 2.005 -0.039 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1178 Ethanolamine 9.9906 1262.0 3.2 scans 92% TIC 0.76% 0.0484% 371 0.9 129 34053 1.29% 320223 306043 8533391 2-0 0.997 10.03 -2.5 99 99 98 98 262 13.9 1.155 -0.043 G:\GCMS data\Nicotiana Panel polar\QC1.FIN VEN77_S6-N1002 Glycerol 10.0716 1266.7 2.7 scans 91% TIC 0.026% 1.16% 379 0.9 664 971651 7719882 7312161 1-2 0.963 10.09 -1.3 100 100 98 100 299 409.8 38.249 -0.022 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LACTIC~1-N1034 Glycerol 10.0874 1267.7 3.2 scans 11% 205 m/z (299) 0.64% 0.0862% 380 0.8 167 40353 0.0925% 570418 549027 611890 1-3 12: 205 117 218 206 204 129 175 219 101 293 203 220 0.606 10.11 -1.3 90 97 59 94 293 15.1 0.826 -0.023 G:\GCMS data\Nicotiana Panel polar\QC1.FIN A-AMYRIN-N1012 Contamination?? 10.2295 1276.0 2.5 scans 91% 73 m/z 0.82% 0.0399% 394 1.2 129 31695 264452 240501 1-3 20: 73 198 77 211 199 70 74 239 212 381 289 170 72 200 143 75 63 78 56 142 0.998 10.24 -0.6 98 98 96 98 381 15.4 1.422 -0.011 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1176 Isoleucine 10.4199 1287.1 2.7 scans 77% 158 m/z 1.6% 0.0169% 412 1.1 83 15634 0.0263% 112106 103280 173975 2-0 7: 158 218 159 232 160 219 100 0.988 10.46 -2.3 98 98 95 99 260 6.0 0.517 -0.039 G:\GCMS data\Nicotiana Panel polar\QC1.FIN TAB_REP6-N1012 Proline 10.5083 1292.3 2.7 scans 96% TIC 0.059% 0.415% 420 0.9 406 436731 2.07% 2750746 2621665 13693116 3-0 0.998 10.53 -1.5 99 98 98 100 216 76.6 3.560 -0.025 G:\GCMS data\Nicotiana Panel polar\QC1.FIN TAB_REP6-N1014 Maleic acid 10.5851 1296.8 2.8 scans 92% 147 m/z 0.19% 0.157% 428 1.0 252 130879 1.48% 1040011 1040011 9790248 0-0 20: 147 73 245 148 75 149 83 74 133 246 115 59 84 143 170 126 215 58 61 66 0.997 10.60 -1.0 100 99 99 99 245 56.4 5.015 -0.017 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1170 Glycine 10.6419 1300.1 3.2 scans 71% TIC 1.7% 0.0125% 433 1.0 88 14568 1.58% 83212 83212 10451751 0-0 0.957 10.69 -2.7 97 97 88 96 276 14.4 2.657 -0.045 G:\GCMS data\Nicotiana Panel polar\QC1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7398 1306.0 3.1 scans 97% 147 m/z 0.025% 1.45% 442 0.6 698 1020791 9613990 9357254 1-2 20: 147 73 251 148 76 149 58 132 74 252 133 177 75 176 150 59 118 72 253 62 0.996 10.76 -1.1 99 97 96 99 251 171.0 6.024 -0.018 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1168 Glyceric acid 11.0123 1322.4 2.5 scans 97% 73 m/z 0.091% 0.584% 468 1.0 502 284098 3866994 3709625 1-2 20: 73 147 292 189 133 205 103 293 102 117 190 148 307 75 74 294 59 149 191 101 1.000 11.05 -2.5 100 99 99 100 292 153.4 9.334 -0.042 G:\GCMS data\Nicotiana Panel polar\QC1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0670 1325.7 2.7 scans 35% 184 m/z 12% 0.00351% 473 1.0 37 2128 0.00955% 23222 21531 63174 0-1 6: 184 285 134 174 77 86 0.974 11.06 0.2 85 88 63 88 285 13.4 13.058 0.004 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1164 Itaconic acid 11.2091 1334.3 2.5 scans 83% TIC 3.5% 0.00847% 487 1.0 61 7327 56030 53459 1-1 0.986 11.25 -2.6 85 82 84 92 259 12.3 4.086 -0.043 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1162 Fumaric acid 11.3522 1342.9 2.6 scans 96% 245 m/z 0.34% 0.109% 500 1.2 206 75650 722720 701831 1-2 20: 245 147 73 246 75 247 143 83 133 148 149 74 155 115 61 53 84 59 127 157 0.997 11.39 -2.4 100 99 98 99 245 114.4 30.911 -0.041 G:\GCMS data\Nicotiana Panel polar\QC1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4500 1348.8 2.8 scans 39% 57 m/z (84) 2.0% 0.0214% 510 1.3 87 12738 0.0271% 141643 128484 179267 1-0 16: 57 97 145 115 55 56 127 69 129 59 111 109 128 58 71 98 0.872 11.45 0.3 90 90 92 98 145 24.9 8.119 0.004 G:\GCMS data\Nicotiana Panel polar\QC1.FIN WTF2-N1024 Contamination 10.96min 11.4584 1349.3 3.0 scans 58% 84 m/z (57) 1.3% 0.0269% 511 1.2 96 19498 0.0330% 178479 173348 218296 1-0 18: 84 133 161 92 119 118 82 51 65 78 130 91 64 104 53 77 52 81 0.952 10.96 30.3 91 96 93 96 161 24.6 6.613 0.502 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1160 Serine 11.5026 1351.9 2.6 scans 95% TIC 0.30% 0.171% 515 0.9 261 86646 0.212% 1134103 1029620 1402387 0-2 0.999 11.56 -3.3 100 99 98 99 306 27.3 1.096 -0.054 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7257 1365.4 3.4 scans 77% 147 m/z 3.8% 0.0155% 536 0.7 69 6861 0.0205% 103043 94812 135608 0-3 7: 147 73 247 101 148 103 59 0.939 11.79 -3.5 91 92 88 93 262 7.8 1.281 -0.059 G:\GCMS data\Nicotiana Panel polar\QC1.FIN TAB_REP6-N1024 Threonine 11.9119 1376.6 2.6 scans 93% 73 m/z 0.64% 0.0859% 554 1.1 186 40297 568462 526053 1-2 20: 73 218 219 291 117 292 101 147 220 128 74 57 100 293 203 320 133 129 132 131 0.988 11.92 -0.5 100 100 99 100 320 17.9 0.935 -0.009 G:\GCMS data\Nicotiana Panel polar\QC1.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2777 1461.5 3.1 scans 13% 247 m/z (155) 8.6% 0.00483% 684 1.1 41 3018 31998 31998 0-1 6: 247 259 115 248 349 321 0.605 13.31 -1.8 80 88 37 84 349 8.2 4.011 -0.028 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1148 Glutamine?? 13.3029 1463.1 2.8 scans 91% 155 m/z 0.46% 0.0746% 686 0.8 172 56430 0.0848% 493491 468092 560955 3-2 19: 155 73 147 156 229 139 59 100 157 74 148 103 84 230 131 56 257 58 132 0.991 13.35 -2.8 99 98 97 98 257 13.2 0.589 -0.044 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1146 Malic acid 13.5954 1481.5 4.4 scans 98% 73 m/z 0.012% 6.93% 714 0.2 1312 2064408 45898952 45440803 2-0 20: 73 147 233 245 133 189 190 335 148 175 191 75 149 101 234 217 307 74 265 55 1.000 13.62 -1.3 100 100 100 100 350 36.0 0.075 -0.022 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1144 Contamination Parabanica acid 13.7648 1492.2 2.9 scans 77% 243 m/z (127) 2.9% 0.0243% 730 1.0 95 8849 0.0270% 161328 160652 178606 0-1 15: 243 100 115 128 116 244 201 59 158 72 70 101 142 131 84 0.992 13.81 -2.6 93 95 92 95 243 38.0 15.915 -0.041 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1142 Erythritol/Threitol 13.8406 1497.0 2.8 scans 81% TIC 3.6% 0.0118% 737 1.0 80 7094 0.0682% 78715 78715 451145 0-0 0.985 13.89 -3.1 92 92 90 94 320 7.4 0.855 -0.049 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1140 Aspartic acid 14.0289 1509.3 2.4 scans 62% 232 m/z (156) 0.34% 0.117% 755 1.0 223 74987 775661 721022 1-2 18: 232 233 100 218 234 202 188 306 216 219 204 130 334 292 101 174 203 189 0.984 14.09 -3.8 97 99 98 99 349 11.7 0.273 -0.058 G:\GCMS data\Nicotiana Panel polar\QC1.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0500 1510.7 4.6 scans 55% TIC 0.27% 0.208% 757 0.5 231 95208 1376514 1304827 1-1 0.588 14.03 1.4 81 97 66 97 258 53.2 5.306 0.020 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1138 Pyroglutamic acid 14.0532 1510.9 3.0 scans 70% 156 m/z 0.15% 0.188% 757 0.8 260 173090 1247073 1191145 1-1 18: 156 157 230 258 158 259 140 58 231 112 72 86 85 155 55 154 84 66 0.807 14.11 -3.8 99 99 81 99 273 12.3 0.224 -0.057 G:\GCMS data\Nicotiana Panel polar\QC1.FIN TAB_REP6-N1032 GABA 14.1963 1520.4 2.6 scans 94% 174 m/z 0.14% 0.302% 771 1.0 354 184353 0.308% 1998567 1897445 2037430 0-3 20: 174 73 304 147 175 305 75 86 176 59 306 216 246 143 133 100 148 172 130 74 0.999 14.19 0.6 100 99 98 99 304 110.9 9.816 0.008 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6245 1548.8 2.6 scans 97% 73 m/z 0.053% 1.09% 811 0.7 662 487641 7237179 6940586 1-1 20: 73 292 147 220 205 293 217 117 103 294 221 148 74 133 319 149 291 75 102 206 1.000 14.69 -4.4 100 99 99 99 409 52.4 0.627 -0.068 G:\GCMS data\Nicotiana Panel polar\QC1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7423 1556.6 2.9 scans 88% 174 m/z 1.3% 0.0286% 823 1.1 105 20011 189330 189292 0-1 13: 174 73 86 176 175 91 250 100 59 130 74 121 117 0.980 14.16 38.3 89 90 91 99 250 20.1 3.668 0.577 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1126 Pyrazine 15.0759 1578.7 2.7 scans 78% TIC 2.5% 0.0219% 854 1.2 95 10404 145527 145527 0-0 0.913 15.13 -3.7 96 96 91 97 344 28.4 8.918 -0.056 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3863 1599.3 2.6 scans 78% 217 m/z 0.75% 0.0291% 884 1.1 126 34696 0.0517% 193083 193083 341997 0-0 16: 217 73 218 147 219 189 215 103 74 129 230 133 148 149 220 243 0.978 15.44 -3.7 97 96 95 96 393 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1120 Glutamic acid 15.5073 1607.7 2.6 scans 82% 246 m/z 1.9% 0.0183% 895 1.0 90 13199 121689 113429 1-1 14: 246 73 128 247 348 248 75 147 230 156 84 100 363 56 0.988 15.56 -3.6 96 96 91 96 363 10.1 1.259 -0.053 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1118 Phenylalanine 15.6094 1614.7 2.7 scans 90% 218 m/z (174) 1.1% 0.0547% 905 1.2 146 22544 0.0634% 361857 341265 419393 1-2 16: 218 73 192 219 147 91 193 100 266 220 74 65 130 132 160 148 0.998 15.66 -3.5 93 92 93 99 294 9.9 0.458 -0.050 G:\GCMS data\Nicotiana Panel polar\QC1.FIN TAB_REP6-N1038 Xylose 15.8934 1634.5 2.9 scans 76% 217 m/z 2.1% 0.0257% 932 1.5 93 11886 170583 170529 0-1 10: 217 307 103 218 308 309 219 89 104 277 0.959 15.89 0.3 92 90 89 97 307 24.0 6.709 0.003 G:\GCMS data\Nicotiana Panel polar\QC1.FIN TAB_REP6-N1040 Xylose 16.0102 1642.6 2.7 scans 86% 73 m/z 0.52% 0.0948% 943 1.0 201 50121 627343 608621 1-1 20: 73 103 307 217 308 189 277 74 160 218 133 309 204 205 104 117 234 59 219 191 0.931 16.00 0.5 94 91 93 99 307 53.6 7.153 0.006 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1108 Ribose 16.3238 1664.4 2.7 scans 92% TIC 0.48% 0.114% 973 0.6 209 53351 0.139% 756809 729524 919489 2-1 0.997 16.38 -3.5 96 94 95 98 467 4.5 0.045 -0.051 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6184 1684.8 2.8 scans 83% TIC 1.8% 0.0326% 1001 1.7 118 13942 0.0632% 216110 216110 418070 0-0 0.979 16.68 -4.0 98 98 94 98 497 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9341 1707.1 3.9 scans 70% TIC 3.2% 0.0170% 1031 1.5 84 8118 0.264% 112893 112893 1746368 0-0 0.954 16.99 -4.0 92 91 88 93 422 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0025 1712.1 4.2 scans 83% TIC 1.2% 0.0647% 1037 1.6 135 21278 0.310% 428030 428030 2050660 0-0 0.967 17.06 -4.4 94 93 90 93 510 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1096 Putrescine 17.1950 1726.1 2.7 scans 66% 174 m/z 0.56% 0.0441% 1056 1.0 132 46036 291879 265725 1-1 20: 174 175 214 176 172 86 59 361 200 130 146 142 215 173 362 126 376 187 99 114 0.993 17.25 -3.9 98 96 95 99 458 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\QC1.FIN TAB_REP6-N1044 Putrescine 17.1950 1726.1 2.7 scans 75% 174 m/z (73) 0.57% 0.0520% 1056 1.0 141 45466 344439 313575 1-1 20: 174 175 214 176 172 86 59 361 200 130 146 142 215 173 362 126 376 187 99 114 0.997 17.19 0.5 96 97 96 99 376 11.1 0.619 0.007 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1094 cis-Aconitic acid 17.3118 1734.7 2.8 scans 78% 73 m/z 2.9% 0.0137% 1067 1.3 76 8871 90672 82707 1-0 13: 73 147 375 133 229 211 75 89 74 117 376 247 191 0.986 17.36 -3.6 87 86 85 91 436 5.0 0.423 -0.050 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3844 1740.0 3.2 scans 72% TIC 3.6% 0.0129% 1074 1.1 74 7172 0.0254% 85797 85797 168022 0-0 0.958 17.44 -4.3 92 92 87 92 511 3.8 0.262 -0.059 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5738 1753.8 2.8 scans 91% 217 m/z 0.20% 0.185% 1092 1.0 273 129320 0.279% 1227886 1176159 1845594 0-1 20: 217 73 218 147 219 75 74 129 133 451 232 148 191 149 169 257 103 452 231 220 0.998 17.63 -4.2 97 96 96 98 450 34.9 1.638 -0.058 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1088 Glutamine?? 17.6548 1759.7 2.7 scans 62% 156 m/z (217) 0.79% 0.0672% 1099 1.5 156 32882 444644 437617 0-3 16: 156 245 155 157 347 203 128 246 114 301 139 56 227 83 188 228 0.978 17.73 -5.2 81 83 77 83 511 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\QC1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7053 1763.4 3.0 scans 40% 334 m/z (217) 2.1% 0.0380% 1104 1.0 113 12327 0.0475% 251550 233311 314214 0-3 12: 334 204 256 335 375 166 336 183 167 285 211 67 0.923 17.70 0.5 89 93 85 92 375 15.0 1.764 0.006 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1086 Fructofuranose 18.0715 1790.1 3.2 scans 48% 217 m/z (145) 2.4% 0.0271% 1139 1.5 93 10726 0.0861% 179783 167347 569554 1-0 8: 217 437 438 439 218 257 303 215 0.958 18.13 -4.5 88 89 83 92 437 31.0 11.072 -0.062 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1084 Shikimic acid 18.1378 1794.9 2.8 scans 56% 204 m/z 0.65% 0.0567% 1145 1.0 145 39722 0.0583% 375496 354070 385656 0-2 18: 204 206 255 357 372 254 282 193 462 358 331 283 256 167 267 359 181 239 0.811 18.20 -4.3 93 91 68 98 462 12.7 0.771 -0.059 G:\GCMS data\Nicotiana Panel polar\QC1.FIN TAB_REP6-N1046 Shikimic acid 18.1409 1795.2 3.6 scans 85% TIC 0.68% 0.114% 1146 1.6 186 38369 0.801% 755036 754320 5298641 0-1 0.984 18.13 1.2 90 86 86 98 372 18.4 0.972 0.016 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1082 Citric acid 18.2619 1804.2 2.7 scans 96% TIC 0.11% 0.657% 1157 1.0 513 235105 0.872% 4350860 4139440 5768308 4-1 0.996 18.32 -4.5 99 97 97 99 465 80.0 2.430 -0.059 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1076 Pregnane?? 18.7965 1845.0 3.3 scans 97% 345 m/z 0.029% 2.18% 1208 1.1 830 874242 14451089 13749536 1-1 20: 345 73 346 255 147 347 334 204 191 256 435 419 372 133 257 148 74 348 239 537 1.000 18.86 -4.7 100 100 99 100 537 65.9 0.634 -0.062 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1074 Adenine 18.8880 1851.9 3.1 scans 60% 264 m/z 1.4% 0.0182% 1217 1.2 81 18379 0.251% 120859 120859 1660373 0-0 9: 264 279 265 192 266 280 84 165 99 0.992 18.94 -4.0 95 94 90 95 415 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1072 Fructose 19.0027 1860.7 7.7 scans 96% TIC 0.016% 11.7% 1228 1.0 1337 1568432 20.4% 77456452 73329416 134946655 1-1 1.000 19.03 -2.3 100 98 99 100 364 158.0 1.402 -0.030 G:\GCMS data\Nicotiana Panel polar\QC1.FIN TAB_REP6-N1050 Fructose 19.0269 1862.5 >3 scans 90% 207 m/z 0.019% 4.04% 1230 1.2 1215 1356962 21.6% 26767256 25456861 142884694 0-1 20: 207 157 118 192 264 174 232 376 200 150 378 193 268 151 300 168 178 156 281 571 1.000 18.98 3.5 100 99 100 100 364 143.6 1.403 0.047 G:\GCMS data\Nicotiana Panel polar\QC1.FIN TAB_REP6-N1052 Fructose 19.1574 1872.5 6.6 scans 99% 104 m/z 0.018% 8.62% 1242 0.3 1255 1385611 45.5% 57021878 57021878 300983961 0-0 20: 104 335 231 264 101 207 102 192 288 130 146 116 114 229 193 142 311 292 305 280 1.000 19.10 4.1 100 99 100 100 364 150.9 1.451 0.053 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1068 Galactopyranose 19.2510 1879.6 >4 scans 28% 204 m/z (319) 1.0% 0.0511% 1251 1.0 124 23941 1.70% 338537 338537 11245555 0-0 4: 204 191 192 435 0.946 19.32 -4.9 87 89 86 91 435 9.4 0.574 -0.064 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1066 Glucose 19.3773 1889.3 9.1 scans 42% 320 m/z (73) 0.011% 8.47% 1263 0.1 1028 2240781 56041715 53100502 1-1 17: 320 291 322 277 307 233 162 274 374 293 308 376 360 556 469 421 431 0.928 19.40 -1.6 86 88 61 90 319 622.4 36.928 -0.022 G:\GCMS data\Nicotiana Panel polar\QC1.FIN BRA4_R~2-N1004 Galactose 19.3846 1889.8 >8 scans 81% 319 m/z (320) 0.011% 14.2% 1264 0.3 1426 2284646 16.4% 94508410 91460658 108486527 3-0 17: 319 321 234 269 323 245 220 193 223 248 465 379 367 391 393 295 179 0.967 19.36 1.7 83 85 84 87 364 0.0 0.000 0.024 G:\GCMS data\Nicotiana Panel polar\QC1.FIN TAB_REP6-N1056 Glucose 19.3846 1889.8 >8 scans 80% 319 m/z 0.012% 13.6% 1264 0.3 1415 2169570 15.6% 90080759 87175792 103194501 3-0 17: 319 321 234 269 323 245 220 193 223 248 465 379 367 391 393 295 179 1.000 19.33 4.0 100 99 98 99 364 101.1 0.513 0.053 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1064 Mannose 19.3931 1890.5 8.8 scans 99% 73 m/z 0.011% 18.4% 1265 0.2 1603 2305800 122003741 121248571 4-0 20: 73 205 147 160 217 103 206 117 229 74 157 133 129 189 75 148 204 161 207 89 0.998 19.45 -4.7 100 99 99 100 319 631.3 15.565 -0.062 G:\GCMS data\Nicotiana Panel polar\QC1.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5256 1900.6 3.0 scans 50% 174 m/z (273) 0.17% 0.141% 1277 1.2 223 152959 0.171% 933408 894762 1131170 1-0 16: 174 175 338 86 176 339 179 250 340 264 164 400 180 251 249 469 1.000 19.49 2.8 82 82 67 87 338 57.0 6.536 0.036 G:\GCMS data\Nicotiana Panel polar\QC1.FIN TAB_REP6-N1059 Glucose 19.5951 1906.2 3.3 scans 97% TIC 0.017% 5.26% 1284 0.4 1300 1519820 5.28% 34814677 34625618 34927370 1-1 0.999 19.55 3.5 100 99 99 100 376 55.0 0.179 0.043 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1060 Lysine 19.6340 1909.3 >3 scans 68% TIC 1.7% 0.0332% 1288 3.5 121 14510 3.92% 220069 219467 25930926 0-2 0.985 19.69 -4.8 89 86 67 95 479 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7382 1917.7 3.4 scans 71% 73 m/z 1.7% 0.0265% 1297 1.3 109 14617 0.0977% 175589 175589 646289 0-0 14: 73 205 147 117 144 89 206 133 74 148 101 149 129 118 0.970 19.79 -4.2 91 92 89 91 434 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\QC1.FIN N406_R~2-N1016 Galacturonic acid 19.7939 1922.2 2.6 scans 24% 333 m/z 5.8% 0.00475% 1303 1.0 45 4458 0.0108% 31482 29869 71442 3-2 4: 333 334 160 335 0.942 19.79 0.1 90 91 85 94 423 6.7 2.237 0.001 G:\GCMS data\Nicotiana Panel polar\QC1.FIN BRA4_R~2-N1010 Tyrosine 19.8297 1925.1 3.6 scans 68% TIC 1.1% 0.0341% 1306 1.0 114 22264 0.121% 225778 225778 800419 0-0 0.949 19.82 1.0 85 81 76 94 382 11.3 0.993 0.012 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1056 Ascorbic acid 19.9255 1932.8 3.2 scans 72% TIC 2.1% 0.0262% 1315 0.6 99 12275 0.149% 173521 162265 985640 1-0 0.976 19.99 -4.9 91 91 86 92 449 10.5 1.110 -0.061 G:\GCMS data\Nicotiana Panel polar\QC1.FIN GUA35_L1-N1008 Glucopyranose 20.3000 1962.9 2.8 scans 91% TIC 0.40% 0.149% 1351 1.1 244 64677 986836 925034 1-1 0.980 20.41 -9.1 88 86 92 91 217 59.2 5.871 -0.114 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1052 Gluconic acid 2 20.5221 1980.7 2.9 scans 83% 73 m/z 1.1% 0.0517% 1372 0.9 147 22232 0.0839% 342126 342126 555001 0-0 20: 73 292 319 147 205 333 217 293 320 103 277 433 148 334 218 294 321 306 359 307 0.991 20.60 -6.0 94 94 92 93 613 4.2 0.081 -0.075 G:\GCMS data\Nicotiana Panel polar\QC1.FIN INOSIT~1-N1024 myo-Inositol 21.7079 2079.5 4.6 scans 96% 305 m/z 0.013% 10.2% 1485 0.3 1602 1925098 67773793 63521132 1-1 20: 305 217 73 318 147 191 306 319 265 218 204 307 432 133 129 433 320 192 367 148 0.996 21.75 -3.4 100 100 99 100 507 122.6 0.588 -0.041 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8668 2092.8 3.0 scans 96% 319 m/z 0.19% 0.390% 1500 1.1 366 132542 2585111 2479849 1-2 20: 319 73 205 147 320 217 103 321 262 206 204 117 74 133 229 157 89 148 129 263 0.998 21.93 -5.3 96 94 97 99 656 9.1 0.062 -0.063 G:\GCMS data\Nicotiana Panel polar\QC1.FIN GUANINE-N1026 Guanine 3TMS STD 22.0246 2106.3 2.5 scans 30% 352 m/z 9.0% 0.00245% 1515 1.2 32 2878 16242 16242 0-1 4: 352 367 353 354 1.000 22.05 -2.1 89 90 57 90 367 13.8 18.073 -0.024 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1032 trans-Caffeic acid 22.1982 2121.5 2.7 scans 92% 73 m/z 0.65% 0.0982% 1531 1.1 207 39956 0.194% 650007 650007 1283316 0-0 20: 73 319 396 219 205 147 397 320 103 381 217 321 398 307 220 133 117 74 191 206 0.998 22.25 -4.5 97 95 93 99 396 57.1 7.586 -0.052 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6675 2162.5 3.5 scans 91% 204 m/z 1.1% 0.0424% 1576 1.4 114 22234 0.0747% 280693 265958 494143 2-0 20: 204 73 205 217 147 206 361 117 131 145 191 103 218 189 250 74 148 129 362 133 0.994 22.71 -4.0 97 96 96 98 518 0.0 0.000 -0.047 G:\GCMS data\Nicotiana Panel polar\QC1.FIN BRA4_R~2-N1006 Spermidine 23.5124 2238.0 3.5 scans 73% TIC 5.0% 0.0184% 1656 1.8 75 5215 0.0426% 122105 120101 281800 0-2 0.951 23.51 0.3 96 98 96 98 490 6.7 0.795 0.003 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1024 Glycerolgalactose 24.1227 2293.8 2.7 scans 94% 204 m/z 0.43% 0.0986% 1714 1.4 200 59899 0.113% 652615 613811 747499 2-2 20: 204 73 147 337 217 205 103 129 206 361 219 218 191 338 74 101 131 133 339 148 0.997 24.18 -5.3 97 96 96 96 581 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\QC1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6509 2343.7 3.5 scans 94% 73 m/z 0.55% 0.177% 1764 0.6 221 47036 1175955 1159898 1-1 20: 73 331 147 191 217 262 421 307 205 319 103 332 422 259 305 263 333 308 192 376 0.995 24.65 0.1 99 98 98 99 466 13.2 0.358 0.001 G:\GCMS data\Nicotiana Panel polar\QC1.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7466 2352.8 2.7 scans 90% 73 m/z 1.4% 0.0519% 1773 1.3 143 18548 0.179% 343748 329473 1184091 1-0 20: 73 217 204 147 292 375 305 103 219 205 451 218 233 129 376 306 74 293 131 148 0.995 24.81 -5.6 95 94 93 94 451 17.3 1.468 -0.058 G:\GCMS data\Nicotiana Panel polar\QC1.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3575 2510.8 2.8 scans 96% 204 m/z 0.15% 0.352% 1927 1.0 357 170097 0.476% 2329670 2214033 3148755 1-2 20: 204 73 147 205 495 217 206 496 117 363 74 130 129 273 131 143 191 231 103 259 1.000 26.35 0.8 99 98 98 99 495 68.0 3.632 0.008 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4449 2519.8 3.2 scans 75% TIC 1.6% 0.0383% 1935 0.9 132 15579 0.414% 253876 253876 2738623 0-0 0.983 26.52 -7.8 89 88 85 88 740 16.4 1.528 -0.076 G:\GCMS data\Nicotiana Panel polar\QC1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5375 2529.4 2.7 scans 56% 512 m/z (361) 2.8% 0.0282% 1944 0.9 105 9300 187155 187155 0-0 15: 512 455 513 247 456 483 57 457 514 349 497 248 263 484 409 0.902 26.57 -3.7 93 95 82 95 512 39.5 14.122 -0.036 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1020 Sucrose 27.4171 2620.9 7.9 scans 10% 451 m/z (361) 0.069% 1.55% 2027 1.1 485 377357 10303702 10233681 2-0 20: 451 439 204 423 307 231 318 345 306 130 450 322 274 425 187 309 118 227 277 263 0.521 27.46 -4.7 89 91 78 98 437 255.4 27.798 -0.044 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1010 Sucrose 27.4171 2620.9 7.9 scans 100% 451 m/z 0.0084% 15.4% 2027 1.1 1544 3072646 102185021 101490607 2-0 20: 451 439 204 423 307 231 318 345 306 130 450 322 274 425 187 309 118 227 277 263 0.997 27.58 -17.3 100 99 98 99 437 301.1 3.828 -0.162 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1014 Sucrose 27.4371 2623.1 7.9 scans 92% 271 m/z 0.0084% 12.7% 2029 0.3 1489 3078395 14.9% 84257002 80315220 98563979 1-0 20: 271 218 245 272 241 450 333 435 177 127 201 159 202 156 274 256 185 56 200 310 1.000 27.49 -5.6 100 99 99 100 437 297.3 4.014 -0.053 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1008 Sucrose 27.4413 2623.5 8.0 scans 97% TIC 0.0084% 16.1% 2030 0.2 1531 3100365 106920253 106875526 1-0 0.998 27.59 -16.0 100 99 97 99 437 294.6 3.726 -0.150 G:\GCMS data\Nicotiana Panel polar\QC1.FIN TAB_REP6-N1070 Sucrose 27.4518 2624.6 8.0 scans 61% 361 m/z (73) 0.010% 2.50% 2031 2.1 1188 2445358 9.78% 16543751 16543751 64695014 0-0 20: 361 362 217 437 363 271 243 319 331 219 272 320 189 204 230 229 245 257 305 273 0.966 27.41 4.5 95 96 95 98 451 18.4 0.000 0.042 G:\GCMS data\Nicotiana Panel polar\QC1.FIN LQC1-N1006 Trehalose 28.3746 2724.4 3.1 scans 66% 361 m/z 4.0% 0.00932% 2118 1.1 62 6451 0.0361% 61704 58619 238803 0-1 9: 361 362 191 363 73 147 271 217 169 0.956 28.47 -10.5 93 94 84 94 565 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel polar\QC1.FIN GUA35_L1-N1020 Galactinol 30.6105 2980.1 3.0 scans 90% 204 m/z 1.3% 0.0324% 2331 1.1 110 19773 214533 206228 1-4 20: 204 73 217 205 147 191 218 129 433 361 230 103 74 148 306 293 434 271 189 243 0.990 30.55 7.7 83 83 91 83 641 0.0 0.000 0.066 G:\GCMS data\Nicotiana Panel polar\QC1.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.6869 3107.9 5.2 scans 75% 204 m/z 4.4% 0.0185% 2433 1.8 62 5831 0.0517% 122959 122959 341997 0-0 9: 204 217 205 597 361 129 103 598 191 0.980 31.68 1.3 85 85 81 87 597 12.6 4.075 0.012 G:\GCMS data\Nicotiana Panel polar\QC2.FIN EXBLK5S-N1006 Contamination 6.5868 1061.0 2.7 scans 80% 207 m/z 0.61% 0.0773% 48 1.5 142 42493 0.124% 524308 367182 840439 12-6 18: 207 73 295 208 209 296 191 297 279 74 193 192 189 133 247 177 210 163 0.995 6.63 -2.3 99 98 96 99 295 42.8 9.112 -0.038 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1194 Alanine 7.3759 1107.8 5.7 scans 80% 116 m/z 1.0% 0.0562% 122 0.4 99 24173 0.0870% 381325 314850 589663 3-0 10: 116 73 147 117 190 74 148 86 218 149 0.988 7.40 -1.7 97 97 95 97 283 4.0 0.165 -0.028 G:\GCMS data\Nicotiana Panel polar\QC2.FIN A-KETO~2-N1006 Contamination?? 7.8694 1137.1 2.6 scans 76% 156 m/z 3.1% 0.0120% 170 1.1 67 8443 0.0171% 81940 72998 115899 1-3 8: 156 75 55 157 54 61 76 74 0.978 7.96 -5.1 98 98 94 98 156 36.1 29.250 -0.088 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1192 Contamination 7.9536 1142.1 2.6 scans 76% 147 m/z 3.9% 0.0121% 177 1.1 70 6618 0.0236% 82132 81317 159954 2-0 16: 147 73 133 220 152 235 146 86 72 59 100 148 89 103 160 74 0.985 7.99 -2.1 96 96 91 96 235 13.3 3.544 -0.035 G:\GCMS data\Nicotiana Panel polar\QC2.FIN WTF2-N1026 Cadaverine NC 8.1819 1155.6 3.2 scans 55% 174 m/z 9.4% 0.00393% 199 1.3 33 2785 0.00429% 26699 26699 29076 0-0 3: 174 175 216 0.983 7.74 26.4 89 92 81 94 216 8.5 6.628 0.446 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1188 Contamination 8.3702 1166.8 3.8 scans 86% 281 m/z 1.8% 0.0331% 217 1.2 92 13851 0.0420% 224753 194734 284665 8-0 13: 281 369 147 73 282 370 265 249 371 148 149 251 266 0.992 8.41 -2.6 99 98 85 99 369 27.7 9.057 -0.045 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1190 Contamination 8.4355 1170.6 2.8 scans 68% 73 m/z 3.5% 0.0106% 223 1.3 64 7292 0.0236% 72076 72076 159954 0-0 9: 73 140 211 77 198 70 69 186 78 0.961 8.48 -2.9 95 95 90 95 309 6.5 1.023 -0.049 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1186 Phosphate 8.5176 1175.5 2.4 scans 79% 241 m/z 1.3% 0.0178% 231 1.1 88 19040 121177 120523 0-2 12: 241 211 242 256 163 133 195 243 135 98 137 134 0.950 8.56 -2.5 98 97 91 98 299 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1184 Valine 9.1478 1212.7 3.0 scans 85% 144 m/z (156) 1.2% 0.0287% 291 0.9 94 21228 0.0352% 195098 170287 238576 6-7 11: 144 73 218 145 147 219 146 100 74 220 59 0.990 9.19 -2.3 97 98 96 98 218 28.0 8.932 -0.040 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1180 Benzoic acid 9.7171 1246.0 2.9 scans 75% 179 m/z 2.9% 0.0157% 345 1.3 72 8884 106628 90609 2-7 9: 179 105 135 77 180 194 181 136 51 0.978 9.76 -2.5 96 95 91 98 194 11.6 2.623 -0.042 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1178 Ethanolamine 9.9885 1261.9 3.2 scans 92% TIC 0.61% 0.0606% 371 1.1 135 42564 1.82% 411185 369173 12335471 4-0 0.997 10.03 -2.6 100 99 98 99 262 14.1 1.094 -0.045 G:\GCMS data\Nicotiana Panel polar\QC2.FIN VEN77_S6-N1002 Glycerol 10.0727 1266.8 2.6 scans 91% 299 m/z (205) 0.017% 1.63% 379 0.7 768 1502581 11106659 10333786 1-2 20: 299 300 314 73 301 283 133 211 315 207 193 191 316 302 135 298 225 284 74 115 0.974 10.09 -1.2 99 100 98 100 299 482.2 39.700 -0.021 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LACTIC~1-N1034 Glycerol 10.0853 1267.5 2.9 scans 10% 205 m/z (299) 0.47% 0.106% 380 0.8 185 55120 0.112% 722440 685736 759106 2-3 13: 205 117 218 206 204 175 129 217 219 203 220 293 294 0.617 10.11 -1.5 89 97 60 94 293 14.1 0.581 -0.025 G:\GCMS data\Nicotiana Panel polar\QC2.FIN A-AMYRIN-N1012 Contamination?? 10.2284 1275.9 2.6 scans 92% 73 m/z 0.71% 0.0445% 394 1.2 130 36796 302171 286703 1-2 19: 73 198 77 211 199 70 74 239 381 289 212 72 200 143 142 92 56 285 78 0.995 10.24 -0.7 98 98 97 98 381 15.0 1.339 -0.012 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1176 Isoleucine 10.4189 1287.1 3.3 scans 82% TIC 1.5% 0.0204% 412 1.3 85 17187 0.768% 138898 138080 5205298 1-0 0.986 10.46 -2.3 98 98 95 98 260 6.2 0.521 -0.040 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1012 Proline 10.5062 1292.2 2.7 scans 96% 142 m/z 0.047% 0.517% 420 1.0 431 556762 0.762% 3508354 3190333 5164631 6-1 20: 142 73 143 216 147 144 75 72 74 59 141 66 217 80 133 100 148 70 244 170 1.000 10.53 -1.6 99 97 98 100 216 79.6 3.432 -0.027 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1014 Maleic acid 10.5830 1296.7 2.7 scans 93% 147 m/z 0.11% 0.266% 427 0.9 316 229781 1.67% 1808381 1802140 11318812 1-0 20: 147 73 148 245 75 149 83 74 115 133 246 143 59 170 126 58 84 53 215 66 0.999 10.60 -1.1 99 98 98 99 245 71.9 5.200 -0.019 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1170 Glycine 10.6409 1300.1 3.0 scans 71% TIC 1.0% 0.0199% 433 1.0 108 24612 1.78% 135173 135173 12064362 0-0 0.953 10.69 -2.7 98 98 90 97 276 16.8 2.428 -0.046 G:\GCMS data\Nicotiana Panel polar\QC2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7356 1305.8 3.1 scans 95% TIC 0.025% 1.45% 442 0.9 660 1026633 9876888 9478728 1-2 0.990 10.76 -1.3 99 97 96 99 251 154.1 5.462 -0.022 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1168 Glyceric acid 11.0123 1322.4 2.4 scans 97% 73 m/z 0.071% 0.720% 468 1.0 540 368204 4880281 4617170 1-2 20: 73 147 292 189 133 103 205 293 117 102 148 190 75 307 74 294 149 59 191 101 1.000 11.05 -2.5 100 99 99 100 292 165.7 9.418 -0.042 G:\GCMS data\Nicotiana Panel polar\QC2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0649 1325.6 2.5 scans 44% 184 m/z 8.5% 0.00462% 473 1.1 43 3052 0.0134% 31345 31345 90822 0-0 4: 184 134 285 174 0.957 11.06 0.1 88 90 65 90 285 15.7 13.276 0.002 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1018 Uracil 11.1260 1329.3 2.6 scans 54% 241 m/z 11% 0.00319% 479 1.2 35 2309 21657 21657 0-0 5: 241 255 256 242 183 0.916 11.15 -1.3 96 97 97 99 256 11.9 11.536 -0.022 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1164 Itaconic acid 11.2070 1334.1 2.7 scans 79% 147 m/z 3.2% 0.0115% 487 0.9 66 8061 78476 75912 0-1 9: 147 73 259 75 166 148 215 184 268 0.976 11.25 -2.8 82 78 82 91 259 12.9 3.777 -0.045 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1162 Fumaric acid 11.3522 1342.9 2.6 scans 97% TIC 0.14% 0.238% 500 1.0 293 175612 1618925 1561567 2-1 0.998 11.39 -2.4 100 99 99 100 245 164.8 31.557 -0.041 G:\GCMS data\Nicotiana Panel polar\QC2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4500 1348.8 2.9 scans 33% 57 m/z (84) 1.7% 0.0281% 510 1.2 95 15391 0.0327% 191032 186850 221632 1-0 15: 57 97 145 115 55 127 56 69 129 130 128 67 71 81 87 0.850 11.45 0.3 83 83 88 97 145 26.4 7.782 0.004 G:\GCMS data\Nicotiana Panel polar\QC2.FIN WTF2-N1024 Contamination 10.96min 11.4553 1349.1 3.0 scans 55% 84 m/z (57) 0.75% 0.0465% 510 1.2 122 34907 0.0537% 315626 296279 363964 1-0 20: 84 133 162 161 119 92 82 85 51 65 118 78 63 83 134 91 105 64 120 104 0.979 10.96 30.1 89 92 89 94 161 32.0 6.869 0.499 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1160 Serine 11.4995 1351.7 2.6 scans 95% TIC 0.22% 0.229% 514 1.0 285 116449 0.293% 1556984 1490046 1985875 0-1 0.999 11.56 -3.5 100 99 99 99 306 30.0 1.108 -0.058 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1024 Threonine 11.9088 1376.4 2.6 scans 94% 73 m/z 0.51% 0.105% 553 1.2 199 50651 715869 699202 1-4 20: 73 218 219 117 291 292 220 147 101 57 75 74 100 203 293 128 133 129 132 59 0.993 11.92 -0.7 100 99 99 99 320 18.1 0.822 -0.012 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1148 Glutamine?? 13.2966 1462.7 2.8 scans 93% TIC 0.31% 0.116% 685 0.8 200 84042 0.130% 792561 777164 881105 1-1 0.992 13.35 -3.2 99 98 98 99 257 16.4 0.668 -0.050 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1146 Malic acid 13.5755 1480.3 3.7 scans 99% 73 m/z 0.012% 5.53% 712 0.4 1204 2025997 37488303 37477178 1-0 20: 73 147 233 245 133 189 190 148 75 175 74 335 191 55 101 149 234 217 265 59 1.000 13.62 -2.5 100 100 100 100 350 32.0 0.071 -0.042 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1144 Contamination Parabanica acid 13.7554 1491.6 2.9 scans 83% TIC 2.0% 0.0281% 729 1.0 109 12834 4.81% 191018 191018 32600889 0-0 0.985 13.81 -3.2 97 96 93 96 243 44.6 16.627 -0.051 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1140 Aspartic acid 14.0227 1508.9 2.5 scans 63% 232 m/z (156) 0.34% 0.120% 754 1.1 216 76560 816804 808754 0-1 18: 232 233 218 100 234 202 188 219 306 216 130 292 235 101 204 220 349 307 0.988 14.09 -4.2 96 97 97 99 349 12.6 0.339 -0.064 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0395 1510.0 4.1 scans 56% TIC 0.22% 0.228% 756 0.7 242 117220 1549061 1533215 1-0 0.587 14.03 0.7 81 97 66 96 258 54.8 5.141 0.009 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1138 Pyroglutamic acid 14.0437 1510.3 3.0 scans 85% 156 m/z 0.12% 0.269% 756 0.8 298 203809 1829575 1800480 1-0 19: 156 147 157 258 230 158 231 259 72 140 112 58 121 86 55 214 85 66 84 0.977 14.11 -4.4 99 99 98 99 273 12.8 0.186 -0.066 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1032 GABA 14.1910 1520.0 2.6 scans 94% TIC 0.13% 0.322% 770 1.2 340 189221 0.398% 2184233 1987576 2697537 0-9 0.995 14.19 0.2 100 99 99 99 304 106.3 9.758 0.003 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3615 1531.3 3.1 scans 84% TIC 2.0% 0.0270% 786 1.2 93 12521 1.55% 183227 179231 10505484 0-3 0.994 14.62 -17.3 94 93 90 94 409 7.0 0.575 -0.260 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6224 1548.6 2.5 scans 98% 73 m/z 0.040% 1.33% 811 0.8 723 649099 9063442 8751001 1-1 20: 73 292 147 220 205 293 217 117 103 294 221 148 133 74 319 149 291 75 102 206 1.000 14.69 -4.6 100 99 99 100 409 55.4 0.587 -0.070 G:\GCMS data\Nicotiana Panel polar\QC2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7382 1556.3 2.9 scans 39% 174 m/z (267) 1.0% 0.0337% 822 1.1 107 24560 228885 221564 1-1 12: 174 86 175 176 250 59 100 65 162 251 130 118 0.953 14.16 38.0 88 94 92 99 250 20.6 3.673 0.573 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1126 Pyrazine 15.0728 1578.5 2.7 scans 85% 73 m/z 1.7% 0.0326% 854 1.1 113 14858 220998 220214 0-1 20: 73 227 344 301 147 154 346 228 345 302 139 211 229 126 74 303 329 59 155 128 0.968 15.13 -3.9 92 89 86 97 344 32.6 8.259 -0.059 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3810 1598.9 2.7 scans 69% 217 m/z 1.3% 0.0198% 883 1.1 98 19051 0.102% 134271 134271 691329 0-0 9: 217 73 218 147 219 230 133 74 215 0.945 15.44 -4.1 90 89 87 91 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1120 Glutamic acid 15.5042 1607.4 2.5 scans 80% 246 m/z 1.9% 0.0166% 895 1.1 85 13284 112724 112636 0-1 12: 246 247 128 147 248 348 156 84 230 363 100 56 0.981 15.56 -3.9 96 96 91 96 363 8.5 1.010 -0.056 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1118 Phenylalanine 15.6062 1614.5 2.7 scans 69% 218 m/z 1.1% 0.0460% 905 1.1 129 22079 311925 285908 1-2 10: 218 192 219 91 100 266 130 132 65 203 0.845 15.66 -3.7 91 92 83 95 294 9.5 0.547 -0.053 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1038 Xylose 15.8924 1634.4 5.9 scans 79% TIC 2.4% 0.0206% 932 1.2 83 10588 0.125% 139799 139347 847216 1-0 0.974 15.89 0.2 90 88 88 97 307 21.6 6.844 0.002 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1040 Xylose 16.0050 1642.2 2.9 scans 84% TIC 0.50% 0.105% 943 0.9 192 51898 716472 706166 1-1 0.911 16.00 0.1 96 94 94 99 307 49.2 6.534 0.001 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1042 Ribose 16.1050 1649.2 2.6 scans 85% 73 m/z 1.0% 0.0476% 952 1.2 136 26093 0.163% 323191 304941 1104770 1-3 20: 73 103 307 217 147 308 277 160 189 218 74 205 133 309 104 89 75 219 129 233 0.994 16.10 0.2 96 94 96 98 307 40.5 8.892 0.002 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1108 Ribose 16.3207 1664.1 2.7 scans 92% TIC 0.48% 0.121% 973 0.6 203 54363 0.162% 823525 811698 1097993 1-2 0.996 16.38 -3.8 96 94 95 98 467 5.0 0.062 -0.054 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6163 1684.7 2.7 scans 83% TIC 1.7% 0.0323% 1001 1.5 115 15040 0.0688% 219135 219135 466308 0-0 0.989 16.68 -4.1 98 98 95 98 497 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1104 Rhamnose 16.8720 1702.6 2.8 scans 69% 73 m/z 2.3% 0.0156% 1025 1.2 79 11009 0.0684% 106383 99920 463597 1-0 11: 73 117 160 392 147 89 277 118 305 131 74 0.932 16.93 -4.3 80 81 83 84 392 13.1 2.739 -0.060 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9278 1706.6 2.8 scans 52% 217 m/z 5.3% 0.0123% 1030 1.3 68 4885 0.0845% 83977 83977 572718 0-0 11: 217 307 103 205 319 318 246 218 308 320 189 0.749 16.99 -4.5 90 92 66 91 422 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9993 1711.8 3.2 scans 83% TIC 1.1% 0.0567% 1037 1.6 134 22178 0.332% 384563 384563 2250207 0-0 0.968 17.06 -4.7 96 96 92 96 510 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1044 Putrescine 17.1908 1725.8 2.8 scans 80% 174 m/z (73) 0.52% 0.0562% 1055 1.1 137 49561 381563 365113 1-1 19: 174 175 176 86 172 361 200 59 100 130 142 146 215 376 126 114 99 362 216 0.983 17.19 0.2 96 98 97 99 376 10.4 0.580 0.003 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1096 Putrescine 17.1908 1725.8 2.8 scans 69% 174 m/z 0.52% 0.0477% 1055 1.1 128 49816 323751 309794 1-1 19: 174 175 176 86 172 361 200 59 100 130 142 146 215 376 126 114 99 362 216 0.989 17.25 -4.2 98 97 96 99 458 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3781 1739.5 2.9 scans 66% 292 m/z 3.5% 0.0154% 1073 1.3 76 7292 0.0166% 104842 103474 112510 0-1 11: 292 333 103 307 217 334 293 294 319 335 308 0.960 17.44 -4.8 94 94 91 94 511 6.3 0.680 -0.065 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5696 1753.5 2.9 scans 94% 217 m/z 0.14% 0.277% 1091 1.0 309 183892 0.390% 1877765 1765556 2643315 5-1 20: 217 73 218 147 219 74 75 129 230 133 103 148 220 149 231 130 169 117 204 143 0.998 17.63 -4.5 98 96 96 98 450 38.6 1.562 -0.062 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7033 1763.2 2.8 scans 62% 334 m/z (217) 0.83% 0.0964% 1104 1.0 177 31296 653786 577404 2-11 15: 334 204 256 335 375 255 336 166 267 211 167 285 151 241 376 0.969 17.70 0.3 89 91 89 93 375 23.6 1.781 0.004 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1086 Fructofuranose 18.0673 1789.8 2.9 scans 60% 217 m/z 1.1% 0.0480% 1139 1.2 126 22849 0.122% 325948 322109 826883 0-1 10: 217 437 438 218 439 257 230 303 141 229 0.949 18.13 -4.8 94 94 88 96 437 40.3 10.222 -0.067 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1084 Shikimic acid 18.1336 1794.6 2.7 scans 47% 204 m/z 0.57% 0.0472% 1145 0.9 131 45250 319957 298933 5-1 15: 204 357 206 255 254 372 462 283 358 282 331 256 373 447 239 0.813 18.20 -4.6 94 92 84 98 462 14.3 1.179 -0.063 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1046 Shikimic acid 18.1357 1794.8 6.2 scans 60% TIC 0.62% 0.0310% 1145 1.8 148 41726 0.467% 210529 210529 3165201 0-0 0.942 18.13 0.8 95 95 91 97 372 17.9 1.467 0.011 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1082 Citric acid 18.2546 1803.6 3.0 scans 93% TIC 0.17% 0.432% 1156 1.1 374 148012 0.669% 2931901 2846514 4534302 1-1 0.993 18.32 -5.1 99 97 97 99 465 57.0 2.327 -0.066 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1076 Pregnane?? 18.7954 1844.9 3.3 scans 95% 345 m/z (295) 0.023% 2.67% 1208 1.0 867 1094915 18097601 16535725 1-1 20: 345 73 346 255 147 347 334 256 191 204 435 419 372 133 257 148 74 348 239 75 1.000 18.86 -4.8 99 100 100 100 537 68.4 0.625 -0.063 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1074 Adenine 18.8828 1851.5 2.9 scans 61% 264 m/z 1.1% 0.0220% 1216 1.4 88 23691 0.264% 149567 145895 1789321 1-0 12: 264 279 265 266 192 280 84 99 111 165 85 124 0.978 18.94 -4.4 95 94 90 95 415 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1072 Fructose 18.9974 1860.3 7.2 scans 98% 73 m/z 0.014% 11.9% 1227 1.0 1344 1829246 81001098 79691740 1-0 20: 73 217 103 307 147 308 218 277 309 133 205 189 74 364 117 219 104 89 148 191 1.000 19.03 -2.7 100 98 99 100 364 155.8 1.350 -0.036 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1050 Fructose 19.0143 1861.6 >3 scans 87% 554 m/z 0.018% 4.53% 1229 3.3 1180 1413394 9.78% 30721129 30721129 66286214 0-0 19: 554 192 156 492 337 106 464 258 465 377 378 83 420 272 120 557 329 522 286 1.000 18.98 2.6 100 99 100 100 364 145.9 1.535 0.034 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1052 Fructose 19.1469 1871.7 6.3 scans 100% 466 m/z 0.018% 8.26% 1241 0.3 1202 1446933 39.1% 55984786 55582666 265009303 1-2 20: 466 207 174 523 115 288 170 243 569 465 180 223 280 240 524 393 199 257 169 294 1.000 19.10 3.3 100 99 100 100 364 142.8 1.417 0.043 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1068 Galactopyranose 19.2437 1879.1 >4 scans 24% 204 m/z 0.68% 0.0587% 1251 1.3 127 38486 1.17% 397909 396074 7929946 1-0 4: 204 191 192 435 0.955 19.32 -5.4 91 92 86 93 435 10.9 0.739 -0.071 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1066 Glucose 19.3699 1888.7 8.6 scans 46% 207 m/z (73) 0.011% 8.88% 1262 0.1 1038 2349662 60252453 58555648 5-2 14: 207 364 274 210 279 192 246 323 333 377 209 324 284 226 0.932 19.40 -2.2 89 91 65 93 319 603.0 34.015 -0.029 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1064 Mannose 19.3836 1889.7 8.6 scans 96% TIC 0.010% 18.6% 1264 0.2 1532 2413142 126428753 123639520 4-2 0.999 19.45 -5.5 100 99 99 100 319 611.1 15.965 -0.071 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1056 Glucose 19.3920 1890.4 8.6 scans 84% 319 m/z 0.011% 5.38% 1265 0.6 1379 2307024 15.0% 36519236 34285530 101665973 0-1 20: 319 291 307 277 364 305 274 262 221 244 278 376 276 343 246 304 173 275 344 215 1.000 19.33 4.6 100 98 98 99 364 97.5 0.502 0.060 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1059 Glucose 19.5856 1905.4 3.3 scans 97% TIC 0.017% 5.15% 1283 0.4 1201 1458834 34964580 33949468 2-3 0.999 19.55 2.7 100 99 99 100 376 51.0 0.181 0.034 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1060 Lysine 19.6319 1909.2 >3 scans 53% 174 m/z 2.0% 0.0353% 1287 1.6 109 12720 0.358% 239793 229821 2426428 0-3 20: 174 317 156 128 318 230 175 88 100 200 154 59 130 86 214 186 114 112 329 435 0.974 19.69 -4.9 91 89 80 95 479 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7329 1917.3 3.0 scans 71% 73 m/z 1.6% 0.0261% 1297 1.3 111 16361 0.0987% 177566 176456 668962 1-0 15: 73 244 147 205 117 320 206 245 89 59 74 148 133 101 75 0.976 19.79 -4.6 92 92 90 92 434 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\QC2.FIN N406_R~2-N1016 Galacturonic acid 19.7887 1921.8 2.6 scans 24% 333 m/z 5.4% 0.00480% 1302 1.2 43 4792 0.00997% 32584 32584 67574 0-0 5: 333 160 334 335 364 0.953 19.79 -0.3 94 95 92 95 423 5.5 1.656 -0.004 G:\GCMS data\Nicotiana Panel polar\QC2.FIN BRA4_R~2-N1010 Tyrosine 19.8234 1924.6 3.0 scans 43% 218 m/z 1.3% 0.0215% 1305 1.2 84 19687 0.0230% 145922 145922 155888 0-0 10: 218 280 220 100 179 354 281 382 132 355 0.604 19.82 0.5 82 85 49 96 382 9.9 1.393 0.005 G:\GCMS data\Nicotiana Panel polar\QC2.FIN GUA35_L1-N1008 Glucopyranose 20.2969 1962.6 2.8 scans 87% 73 m/z (394) 0.24% 0.223% 1351 1.2 272 109158 1518200 1412326 1-1 20: 73 147 217 205 74 129 133 218 189 148 117 305 75 435 291 231 149 131 72 221 0.983 20.41 -9.4 95 96 95 96 217 61.0 5.014 -0.117 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2969 1962.6 2.8 scans 60% 73 m/z (204) 0.28% 0.153% 1351 1.2 225 92558 1038468 966050 1-1 20: 73 147 217 205 74 129 133 218 189 148 117 305 75 435 291 231 149 131 72 221 0.962 20.30 0.1 90 92 88 91 433 17.4 0.595 0.001 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1052 Gluconic acid 2 20.5200 1980.5 2.8 scans 80% 73 m/z 1.0% 0.0565% 1372 0.9 149 24500 0.110% 382981 382981 745550 0-0 20: 73 292 319 147 205 333 217 305 293 359 103 294 320 321 435 433 277 307 331 148 0.992 20.60 -6.2 94 93 92 93 613 3.9 0.070 -0.077 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1050 Gluconic acid 20.5715 1984.7 >3 scans 52% TIC 11% 0.00465% 1377 1.3 50 2366 0.111% 31550 31550 752328 0-0 0.920 20.65 -6.2 80 83 71 82 613 0.0 0.000 -0.076 G:\GCMS data\Nicotiana Panel polar\QC2.FIN WTF2-N1038 C16:0 21.1460 2032.3 2.7 scans 83% 313 m/z 2.6% 0.0274% 1431 1.3 97 9904 186162 169391 1-12 16: 313 117 75 132 314 129 145 55 328 57 69 131 315 133 74 83 0.962 20.62 44.0 86 92 90 95 328 11.5 1.412 0.529 G:\GCMS data\Nicotiana Panel polar\QC2.FIN INOSIT~1-N1024 myo-Inositol 21.7079 2079.5 4.7 scans 98% 217 m/z 0.012% 11.1% 1485 0.3 1578 2091401 75856139 74380419 0-1 20: 217 73 305 147 191 318 306 265 319 204 218 307 133 129 148 320 432 192 219 367 0.999 21.75 -3.4 100 99 99 99 507 118.1 0.562 -0.041 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8657 2092.8 3.1 scans 94% 319 m/z 0.21% 0.381% 1500 1.2 340 124094 2588326 2392494 2-2 20: 319 73 205 147 320 217 103 321 206 204 117 74 157 229 89 148 263 376 129 75 0.998 21.93 -5.3 97 94 97 99 656 7.4 0.047 -0.064 G:\GCMS data\Nicotiana Panel polar\QC2.FIN GUANINE-N1026 Guanine 3TMS STD 22.0204 2106.0 2.6 scans 25% 352 m/z 15% 0.00130% 1514 1.0 23 1669 8838 8838 0-0 3: 352 353 367 0.985 22.05 -2.4 86 89 54 90 367 9.2 16.479 -0.029 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1032 trans-Caffeic acid 22.1951 2121.2 2.5 scans 93% 396 m/z 0.34% 0.192% 1531 1.1 283 75903 0.253% 1307532 1250587 1714766 1-0 20: 396 73 219 319 397 381 398 205 147 191 220 307 103 320 249 293 217 382 74 321 1.000 22.25 -4.8 93 91 89 95 396 103.5 13.345 -0.055 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6644 2162.2 3.6 scans 89% 204 m/z 1.1% 0.0432% 1575 1.5 109 22059 0.0691% 293230 284513 468341 3-0 14: 204 73 205 217 147 145 361 117 191 75 129 103 148 189 0.994 22.71 -4.3 97 96 97 98 518 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\QC2.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.1599 2205.8 2.8 scans 87% 73 m/z 1.7% 0.0466% 1623 1.0 128 14922 0.0494% 316008 297437 334820 4-4 20: 73 169 143 231 81 211 156 75 170 107 93 105 181 55 117 141 121 195 183 182 0.990 23.28 -11.0 81 79 62 86 450 6.5 0.261 -0.121 G:\GCMS data\Nicotiana Panel polar\QC2.FIN WTF2-N1036 C18:0 23.3946 2227.2 2.9 scans 85% 341 m/z 3.7% 0.0206% 1645 1.6 81 7082 0.0239% 140142 126881 161988 1-4 11: 341 117 342 132 75 145 129 55 57 356 118 0.976 22.89 45.4 87 94 88 94 356 11.1 1.885 0.506 G:\GCMS data\Nicotiana Panel polar\QC2.FIN BRA4_R~2-N1006 Spermidine 23.5082 2237.6 2.8 scans 66% 144 m/z 6.8% 0.0116% 1656 1.0 64 3832 79009 79009 1-0 13: 144 174 116 156 160 170 86 172 142 157 100 145 201 0.988 23.51 -0.1 95 96 94 96 490 5.1 0.632 -0.001 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1024 Glycerolgalactose 24.1206 2293.6 2.6 scans 94% 204 m/z 0.40% 0.103% 1714 1.1 198 64388 698252 644716 1-3 20: 204 73 147 217 205 337 103 129 206 338 218 219 361 191 133 74 131 101 148 203 1.000 24.18 -5.5 97 96 97 97 581 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\QC2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6488 2343.5 3.3 scans 93% 73 m/z 0.52% 0.183% 1764 0.6 218 49640 1245164 1202567 3-1 20: 73 331 191 147 217 307 421 262 103 319 205 422 259 305 332 333 263 308 74 218 0.994 24.65 -0.1 99 99 98 99 466 12.9 0.350 -0.001 G:\GCMS data\Nicotiana Panel polar\QC2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7435 2352.5 2.6 scans 87% 73 m/z 2.2% 0.0273% 1773 1.3 106 11618 0.148% 185085 180833 1003104 1-0 20: 73 217 204 147 375 292 305 219 103 451 218 205 129 293 363 376 206 275 74 131 0.994 24.81 -5.9 91 91 89 90 451 13.3 1.572 -0.062 G:\GCMS data\Nicotiana Panel polar\QC2.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3534 2510.4 2.7 scans 92% TIC 0.52% 0.0964% 1926 1.8 179 49999 0.259% 653613 584560 1755432 3-0 1.000 26.35 0.4 95 94 95 94 495 34.8 3.774 0.003 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4428 2519.6 3.0 scans 78% TIC 1.6% 0.0415% 1935 0.7 127 15661 0.220% 281305 275712 1491101 0-1 0.983 26.52 -8.0 89 89 86 88 740 14.8 1.357 -0.078 G:\GCMS data\Nicotiana Panel polar\QC2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5322 2528.8 2.8 scans 58% 512 m/z (361) 2.5% 0.0298% 1943 1.0 104 10403 202625 201560 0-1 17: 512 455 513 247 456 483 57 514 457 248 263 349 484 497 383 234 353 0.984 26.57 -4.3 93 95 85 95 512 40.1 14.770 -0.041 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1014 Sucrose 27.4077 2619.9 7.4 scans 95% 437 m/z 0.0084% 14.0% 2026 1.1 1431 3103716 95158986 92777723 1-1 20: 437 438 439 452 453 423 307 306 424 308 255 425 181 53 309 161 202 426 76 264 0.997 27.49 -8.8 100 100 99 100 437 290.8 4.157 -0.082 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1020 Sucrose 27.4077 2619.9 7.4 scans 9.9% 437 m/z (361) 0.050% 1.49% 2026 1.1 463 515528 10125307 9871931 1-1 20: 437 438 439 452 453 423 307 306 424 308 255 425 181 53 309 161 202 426 76 264 0.776 27.46 -5.7 92 94 89 98 437 282.4 37.362 -0.053 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1010 Sucrose 27.4140 2620.6 7.3 scans 98% 451 m/z 0.0081% 15.0% 2027 0.2 1483 3214363 102115579 101698811 1-0 19: 451 364 331 71 365 450 305 116 322 290 193 185 467 378 279 182 373 294 311 0.999 27.58 -17.6 100 99 98 99 437 291.4 3.885 -0.165 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1018 Sucrose 27.4171 2620.9 7.3 scans 62% 361 m/z (73) 0.0085% 8.39% 2027 0.6 1180 3053350 9.81% 56905063 55670469 66489546 1-0 20: 361 362 363 364 331 345 365 259 450 333 292 173 116 241 290 258 263 207 227 159 0.970 27.47 -5.6 93 95 77 95 437 291.4 6.132 -0.053 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1008 Sucrose 27.4413 2623.5 7.4 scans 96% TIC 0.0081% 15.2% 2030 0.2 1475 3198618 103210475 102413667 1-0 0.999 27.59 -16.0 100 99 98 99 437 279.0 3.602 -0.150 G:\GCMS data\Nicotiana Panel polar\QC2.FIN LQC1-N1006 Trehalose 28.3715 2724.0 2.9 scans 63% 361 m/z 3.8% 0.00920% 2118 1.0 55 6773 0.0281% 62353 57868 190454 0-1 4: 361 362 363 191 0.968 28.47 -10.9 91 91 78 91 565 0.0 0.000 -0.097 G:\GCMS data\Nicotiana Panel polar\QC2.FIN GUA35_L1-N1020 Galactinol 30.6158 2980.7 2.9 scans 93% 204 m/z 1.1% 0.0360% 2331 1.2 112 23092 244553 231652 2-2 20: 204 73 217 205 191 147 129 433 305 206 293 230 218 192 103 319 265 318 219 149 1.000 30.55 8.3 83 82 93 83 641 0.0 0.000 0.071 G:\GCMS data\Nicotiana Panel polar\QC3.FIN EXBLK5S-N1006 Contamination 6.5889 1061.2 3.2 scans 67% 207 m/z 1.1% 0.0402% 48 1.5 104 24328 0.0995% 307592 238980 759633 9-4 13: 207 73 295 208 209 191 296 193 279 189 133 210 192 0.979 6.63 -2.1 98 97 93 98 295 31.2 9.001 -0.036 G:\GCMS data\Nicotiana Panel polar\QC3.FIN BRA4_R~4-N1014 Lactic acid 6.7888 1073.0 >6 scans 32% 191 m/z 8.2% 0.00966% 67 0.5 42 3241 0.0596% 73811 40332 455016 0-10 3: 191 190 73 0.853 6.82 -1.9 87 88 84 96 295 3.5 0.000 -0.032 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1194 Alanine 7.3738 1107.7 8.7 scans 81% 73 m/z 1.2% 0.0639% 122 1.7 87 21832 0.120% 488052 444643 916140 4-0 2: 73 190 0.990 7.40 -1.8 96 95 94 96 283 3.2 0.000 -0.030 G:\GCMS data\Nicotiana Panel polar\QC3.FIN A-KETO~2-N1006 Contamination?? 7.8968 1138.7 2.7 scans 79% 156 m/z 2.2% 0.0139% 172 1.3 76 12005 0.0194% 106860 99325 148109 1-2 8: 156 75 55 157 54 61 158 74 0.983 7.96 -3.5 99 98 96 99 156 41.5 30.242 -0.060 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1192 Contamination 7.9789 1143.6 2.9 scans 68% 147 m/z 6.0% 0.00775% 180 1.2 57 4462 0.0154% 59208 59097 117571 1-0 9: 147 73 133 235 152 220 86 72 148 0.967 7.99 -0.6 91 92 88 92 235 11.4 4.086 -0.010 G:\GCMS data\Nicotiana Panel polar\QC3.FIN WTF2-N1026 Cadaverine NC 8.1819 1155.6 3.3 scans 53% 174 m/z 9.4% 0.00394% 199 1.5 33 2842 0.0111% 30113 24875 84743 0-2 4: 174 216 175 142 0.978 7.74 26.4 91 94 85 94 216 8.4 6.569 0.446 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1188 Contamination 8.3724 1166.9 4.6 scans 88% 281 m/z 1.4% 0.0442% 217 1.5 106 18829 0.0623% 337516 336650 475630 1-0 15: 281 147 369 73 282 283 370 249 207 148 191 251 193 74 205 0.993 8.41 -2.5 99 98 85 99 369 30.5 8.358 -0.043 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1190 Contamination 8.4523 1171.6 2.9 scans 69% 73 m/z 2.9% 0.0111% 225 1.2 68 9160 0.0281% 85401 84748 214530 0-1 13: 73 140 211 198 77 126 70 69 186 215 170 74 78 0.978 8.48 -1.9 96 96 93 96 309 6.9 1.032 -0.032 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1186 Phosphate 8.5386 1176.7 2.7 scans 81% TIC 1.2% 0.0219% 233 1.1 92 21050 0.0827% 167736 144532 631373 1-13 0.965 8.56 -1.3 96 95 91 98 299 0.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1184 Valine 9.1615 1213.5 3.5 scans 82% 144 m/z 1.1% 0.0298% 292 0.7 92 23032 0.0425% 228099 198048 324466 5-8 11: 144 73 218 145 147 219 146 59 133 74 132 0.992 9.19 -1.5 99 98 95 98 218 27.9 9.159 -0.026 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1180 Benzoic acid 9.7308 1246.8 3.2 scans 65% 179 m/z 4.2% 0.0112% 346 1.2 56 6288 85504 73424 4-7 7: 179 105 135 77 180 194 136 0.946 9.76 -1.7 96 96 91 97 194 9.7 2.993 -0.028 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1178 Ethanolamine 9.9938 1262.2 3.8 scans 90% TIC 0.64% 0.0634% 371 1.1 129 41865 1.58% 484288 425637 12062516 2-0 0.998 10.03 -2.3 100 99 98 99 262 14.6 1.267 -0.040 G:\GCMS data\Nicotiana Panel polar\QC3.FIN VEN77_S6-N1002 Glycerol 10.0812 1267.3 2.8 scans 90% 299 m/z (205) 0.018% 1.47% 380 0.7 724 1423963 11248338 10679483 1-1 20: 299 300 314 73 301 211 133 283 315 207 193 191 316 135 302 225 298 284 181 74 0.986 10.09 -0.7 99 100 99 100 299 452.2 39.299 -0.013 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LACTIC~1-N1034 Glycerol 10.0948 1268.1 3.2 scans 15% 205 m/z (299) 0.43% 0.122% 381 0.8 193 62488 0.129% 932338 871679 984851 2-2 14: 205 117 218 206 204 175 129 101 219 217 203 293 220 294 0.655 10.11 -0.9 90 97 61 95 293 17.2 0.793 -0.015 G:\GCMS data\Nicotiana Panel polar\QC3.FIN A-AMYRIN-N1012 Contamination?? 10.2358 1276.4 2.6 scans 88% 73 m/z 0.95% 0.0293% 394 1.3 108 28152 223846 218581 1-1 16: 73 198 211 77 70 199 74 212 239 289 381 72 143 170 200 92 0.986 10.24 -0.2 98 97 96 98 381 11.4 1.098 -0.004 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1176 Isoleucine 10.4263 1287.5 >4 scans 85% TIC 1.2% 0.0262% 412 1.4 92 22033 0.763% 200586 195359 5825127 1-0 0.985 10.46 -1.9 98 97 95 98 260 7.7 0.716 -0.033 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1012 Proline 10.5147 1292.7 2.8 scans 95% TIC 0.045% 0.471% 421 0.7 423 586330 2.37% 3602504 3447558 18093774 2-0 0.995 10.53 -1.1 100 98 98 100 216 78.8 3.482 -0.018 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1014 Maleic acid 10.5904 1297.1 2.7 scans 93% 147 m/z 0.10% 0.240% 428 0.9 319 255595 1.75% 1838867 1826725 13360382 0-2 20: 147 73 245 148 75 149 83 133 74 246 115 143 170 84 59 126 58 247 72 61 0.999 10.60 -0.7 99 98 98 100 245 75.6 5.609 -0.012 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1170 Glycine 10.6493 1300.6 4.0 scans 66% TIC 1.0% 0.0168% 434 0.7 99 25171 1.70% 128516 128516 12978657 0-0 0.984 10.69 -2.2 93 92 88 93 276 15.2 2.340 -0.038 G:\GCMS data\Nicotiana Panel polar\QC3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7451 1306.3 3.1 scans 95% TIC 0.021% 1.54% 443 0.8 688 1221746 11774500 10952425 1-1 0.990 10.76 -0.8 99 97 96 99 251 165.0 5.775 -0.013 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1168 Glyceric acid 11.0187 1322.8 2.5 scans 98% 73 m/z 0.069% 0.709% 469 0.8 539 386186 5416886 5359886 0-1 20: 73 147 292 189 133 205 103 293 102 117 190 148 307 75 294 74 149 59 191 101 0.999 11.05 -2.1 100 99 99 100 292 167.6 9.661 -0.035 G:\GCMS data\Nicotiana Panel polar\QC3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0734 1326.1 2.7 scans 51% 184 m/z 7.2% 0.00571% 474 1.0 48 3722 0.0131% 43652 43652 100012 0-0 9: 184 285 134 174 86 77 185 100 286 0.978 11.06 0.6 88 89 67 90 285 17.5 13.595 0.010 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1018 Uracil 11.1333 1329.7 2.7 scans 67% 241 m/z 6.3% 0.00618% 480 1.3 49 4210 0.0116% 47232 45305 88560 0-2 7: 241 256 255 99 242 147 113 0.931 11.15 -0.9 95 95 90 99 256 15.9 10.673 -0.015 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1164 Itaconic acid 11.2123 1334.5 2.5 scans 83% TIC 1.9% 0.0167% 487 0.9 81 13999 0.0228% 128103 112696 174067 1-2 0.979 11.25 -2.4 87 83 88 93 259 14.5 3.217 -0.040 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1162 Fumaric acid 11.3575 1343.2 2.5 scans 95% 245 m/z 0.12% 0.237% 501 0.9 318 221924 1815442 1682370 2-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 74 155 84 53 240 59 127 61 1.000 11.39 -2.1 100 99 99 99 245 178.5 31.583 -0.036 G:\GCMS data\Nicotiana Panel polar\QC3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4522 1348.9 3.0 scans 45% 57 m/z 1.4% 0.0270% 510 1.3 97 18301 0.0354% 206748 188018 270261 2-0 15: 57 97 145 115 127 56 129 109 128 111 59 71 72 87 146 0.574 11.45 0.4 89 87 92 96 145 27.1 7.832 0.006 G:\GCMS data\Nicotiana Panel polar\QC3.FIN WTF2-N1024 Contamination 10.96min 11.4637 1349.6 2.9 scans 48% 84 m/z 0.77% 0.0325% 511 1.3 106 34514 248219 225410 1-4 13: 84 162 161 92 118 82 65 51 63 78 91 81 93 0.684 10.96 30.6 83 93 76 92 161 29.5 7.682 0.508 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1160 Serine 11.5037 1352.0 2.6 scans 95% TIC 0.19% 0.226% 515 0.9 298 138518 0.272% 1731617 1632084 2076585 0-1 0.999 11.56 -3.2 100 99 98 99 306 30.4 1.041 -0.053 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1024 Threonine 11.9141 1376.7 2.6 scans 94% 73 m/z 0.45% 0.110% 554 1.1 212 58679 844747 810319 1-1 20: 73 218 219 117 291 292 101 147 220 57 293 100 75 74 203 128 133 320 132 129 0.998 11.92 -0.4 100 99 99 100 320 19.8 0.874 -0.007 G:\GCMS data\Nicotiana Panel polar\QC3.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2756 1461.4 2.7 scans 25% 247 m/z (155) 5.3% 0.00565% 683 1.2 47 5004 43196 43196 0-0 4: 247 248 349 321 0.667 13.31 -1.9 84 91 40 87 349 9.0 3.676 -0.030 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1148 Glutamine?? 13.3009 1463.0 2.9 scans 92% TIC 0.33% 0.102% 686 0.7 187 81414 0.120% 783170 762655 916140 1-1 0.989 13.35 -2.9 98 96 97 99 257 14.6 0.605 -0.046 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1146 Malic acid 13.5850 1480.9 4.1 scans 98% 147 m/z 0.013% 5.61% 713 0.2 1196 2037221 42881121 42146408 1-0 20: 147 73 233 245 133 189 190 148 175 191 335 75 234 217 149 265 101 55 74 307 0.999 13.62 -1.9 100 100 100 100 350 33.3 0.078 -0.032 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1144 Contamination Parabanica acid 13.7586 1491.8 2.8 scans 79% 243 m/z 1.8% 0.0339% 729 1.1 110 14462 0.0392% 258930 231469 299273 3-2 12: 243 115 100 128 116 244 158 101 59 72 131 102 0.972 13.81 -3.0 97 97 92 96 243 45.6 17.094 -0.047 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1142 Erythritol/Threitol 13.8396 1496.9 2.6 scans 32% 217 m/z (73 57) 3.9% 0.0147% 737 1.3 73 6837 0.0226% 112700 101838 172540 1-0 14: 217 147 205 103 307 189 204 117 206 218 191 293 167 148 0.885 13.89 -3.2 80 85 51 89 320 8.8 1.436 -0.050 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1140 Aspartic acid 14.0248 1509.0 2.6 scans 65% 232 m/z (156) 0.31% 0.121% 754 1.1 214 84080 926002 904252 0-2 18: 232 233 218 100 234 202 188 216 306 334 130 292 220 204 235 203 221 189 0.986 14.09 -4.1 96 97 97 99 349 12.6 0.346 -0.062 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0469 1510.5 4.4 scans 85% TIC 0.11% 0.384% 757 0.5 312 227329 2931723 2840686 1-1 0.976 14.03 1.2 99 98 98 99 258 60.7 3.781 0.017 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1138 Pyroglutamic acid 14.0490 1510.6 3.0 scans 92% 156 m/z 0.098% 0.310% 757 0.7 325 273038 2373393 2352421 0-1 15: 156 147 258 157 230 158 259 231 140 72 58 121 112 260 55 0.978 14.11 -4.1 100 99 98 99 273 14.2 0.189 -0.061 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1032 GABA 14.1931 1520.2 2.7 scans 94% 174 m/z 0.11% 0.346% 770 1.0 357 235595 0.353% 2648488 2538050 2694980 0-2 20: 174 304 73 147 175 305 75 86 176 59 246 216 143 306 100 133 172 130 148 74 0.993 14.19 0.4 100 99 98 99 304 111.4 9.766 0.005 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3625 1531.4 4.1 scans 86% TIC 1.7% 0.0335% 787 0.9 98 15323 1.70% 256087 250578 12978657 0-2 0.988 14.62 -17.2 94 93 91 95 409 7.7 0.619 -0.258 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6256 1548.8 2.6 scans 97% 292 m/z 0.039% 1.41% 812 0.7 735 680401 10827534 10225459 1-1 20: 292 73 147 220 205 293 217 117 294 103 221 148 319 133 74 291 149 102 75 206 1.000 14.69 -4.4 100 99 99 100 409 59.3 0.653 -0.066 G:\GCMS data\Nicotiana Panel polar\QC3.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7403 1556.5 3.0 scans 41% 174 m/z 0.92% 0.0438% 822 1.1 123 29159 335032 330174 0-1 14: 174 175 86 176 250 59 100 65 130 251 117 162 87 158 0.598 14.16 38.2 86 87 84 99 250 20.4 2.764 0.575 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1126 Pyrazine 15.0738 1578.6 2.7 scans 76% TIC 1.7% 0.0290% 854 1.2 107 15538 221405 212746 1-0 0.880 15.13 -3.8 98 98 93 98 344 32.4 9.196 -0.058 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3811 1598.9 2.8 scans 67% 217 m/z 1.4% 0.0161% 883 1.4 87 18809 0.0793% 123447 123447 605416 0-0 8: 217 73 218 219 103 117 215 133 0.958 15.44 -4.1 94 93 91 93 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1120 Glutamic acid 15.5052 1607.5 2.5 scans 78% 246 m/z 1.8% 0.0163% 895 1.1 83 14255 124920 122776 0-1 10: 246 247 128 248 348 230 156 100 84 363 0.989 15.56 -3.8 96 96 90 96 363 8.9 1.149 -0.055 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1118 Phenylalanine 15.6073 1614.6 2.7 scans 65% 218 m/z 0.87% 0.0524% 905 1.1 143 30713 400143 373585 1-2 10: 218 192 219 100 220 91 266 294 132 160 0.840 15.66 -3.6 91 90 81 95 294 10.4 0.528 -0.052 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1038 Xylose 15.8914 1634.3 3.0 scans 69% 103 m/z 2.5% 0.0235% 932 1.8 83 10579 0.135% 179528 159247 1030658 2-2 9: 103 217 307 189 218 277 160 89 219 0.941 15.89 0.1 90 90 88 95 307 23.9 8.244 0.001 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1040 Xylose 16.0082 1642.4 2.6 scans 81% 103 m/z 0.42% 0.105% 943 1.0 209 63305 0.146% 806623 762831 1114638 2-1 20: 103 217 307 308 160 189 277 218 205 309 133 204 117 104 89 219 105 234 59 191 0.892 16.00 0.3 94 93 94 99 307 55.4 7.060 0.004 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1042 Ribose 16.1060 1649.2 2.6 scans 85% 73 m/z 0.88% 0.0538% 952 1.1 146 30327 0.345% 410954 368957 2633904 2-4 20: 73 103 217 307 147 308 218 189 160 277 309 104 133 74 205 219 89 233 148 75 0.992 16.10 0.2 95 92 95 99 307 43.2 8.735 0.003 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1108 Ribose 16.3228 1664.3 2.7 scans 92% TIC 0.36% 0.144% 973 0.7 230 73046 0.190% 1104557 1061393 1450556 3-2 0.992 16.38 -3.6 96 94 95 98 467 6.3 0.075 -0.052 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6174 1684.7 2.8 scans 84% TIC 1.4% 0.0378% 1001 1.6 125 18654 0.0805% 289242 289242 614578 0-0 0.993 16.68 -4.1 98 98 95 98 497 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9278 1706.6 2.9 scans 49% 217 m/z 4.8% 0.0119% 1030 1.3 70 5518 0.0917% 90904 90904 700084 0-0 12: 217 319 307 103 205 218 318 308 204 320 189 206 0.777 16.99 -4.5 90 92 67 91 422 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9994 1711.9 3.9 scans 80% TIC 1.1% 0.0612% 1037 1.6 135 24019 0.354% 467715 467715 2702614 0-0 0.956 17.06 -4.6 97 96 92 96 510 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1096 Putrescine 17.1919 1725.9 2.9 scans 73% 174 m/z 0.32% 0.0699% 1055 1.1 157 81863 533745 520406 1-1 20: 174 175 214 176 172 86 200 361 100 59 130 173 146 362 215 376 142 187 126 99 0.995 17.25 -4.1 97 95 94 99 458 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1044 Putrescine 17.1919 1725.9 2.9 scans 83% 174 m/z (73) 0.32% 0.0813% 1055 1.1 168 81457 620785 605271 1-1 20: 174 175 214 176 172 86 200 361 100 59 130 173 146 362 215 376 142 187 126 99 0.993 17.19 0.3 97 97 98 99 376 12.8 0.582 0.004 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3865 1740.1 >4 scans 69% TIC 2.1% 0.0230% 1074 1.2 90 12242 0.426% 175899 175899 3252299 0-0 0.978 17.44 -4.2 95 95 93 95 511 5.7 0.398 -0.056 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5696 1753.5 2.8 scans 93% 217 m/z 0.11% 0.305% 1091 1.1 332 232654 0.414% 2330232 2158378 3160685 5-1 20: 217 73 218 147 219 75 74 230 129 189 133 103 220 215 244 257 149 148 231 130 0.999 17.63 -4.5 98 96 97 98 450 42.0 1.596 -0.062 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7043 1763.3 2.8 scans 62% 334 m/z (217) 0.79% 0.0897% 1104 1.1 176 33798 684883 621626 2-3 16: 334 204 256 335 255 375 336 285 167 166 211 267 151 376 241 337 0.955 17.70 0.4 89 91 88 92 375 21.9 1.543 0.005 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1086 Fructofuranose 18.0673 1789.8 3.1 scans 56% 217 m/z 1.1% 0.0448% 1139 1.3 120 23397 0.113% 342613 329518 862699 4-1 10: 217 437 438 218 439 257 215 440 258 141 0.944 18.13 -4.8 92 91 86 94 437 38.4 10.184 -0.067 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1084 Shikimic acid 18.1336 1794.6 2.8 scans 56% 204 m/z 0.48% 0.0631% 1145 1.0 152 55478 482306 458308 4-1 15: 204 206 357 372 255 254 462 282 331 358 447 356 267 256 373 0.940 18.20 -4.6 93 90 71 98 462 13.5 0.784 -0.063 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1046 Shikimic acid 18.1357 1794.8 4.7 scans 56% TIC 0.55% 0.0284% 1145 1.7 152 48589 0.450% 217355 217355 3435527 0-0 0.913 18.13 0.8 94 95 88 97 372 19.8 1.684 0.011 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1082 Citric acid 18.2557 1803.7 3.0 scans 91% TIC 0.16% 0.433% 1157 1.2 380 159956 0.686% 3306922 3192948 5237270 1-1 0.991 18.32 -5.0 99 97 97 99 465 58.8 2.392 -0.065 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1076 Pregnane?? 18.7965 1845.0 3.4 scans 97% 345 m/z 0.021% 2.65% 1208 1.1 885 1229126 20306480 19533307 1-1 20: 345 73 346 255 147 347 334 204 191 256 435 419 372 133 348 257 239 148 74 537 1.000 18.86 -4.7 100 100 99 100 537 70.0 0.629 -0.062 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1074 Adenine 18.8828 1851.5 3.2 scans 60% 264 m/z 0.86% 0.0266% 1216 1.3 97 31051 0.279% 203533 201209 2130027 1-0 12: 264 279 265 266 280 192 84 165 237 99 124 85 0.992 18.94 -4.4 96 95 92 96 415 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1072 Fructose 18.9996 1860.5 8.1 scans 97% 73 m/z 0.015% 8.52% 1227 0.5 1272 1740737 20.7% 65060123 64034166 158034232 1-0 20: 73 217 103 147 308 309 218 364 133 189 74 205 117 104 219 89 148 191 75 278 0.999 19.03 -2.5 100 98 99 100 364 148.6 1.371 -0.033 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1050 Fructose 19.0059 1860.9 8.1 scans 100% 206 m/z 0.015% 8.65% 1228 0.4 1285 1788638 12.0% 66101222 64638708 91614048 1-0 20: 206 310 350 318 554 216 177 319 143 332 334 336 175 101 261 303 293 132 113 260 1.000 18.98 1.9 100 99 100 99 364 152.4 1.412 0.026 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1052 Fructose 19.1606 1872.7 6.9 scans 98% 73 m/z 0.017% 9.08% 1243 0.3 1223 1564959 33.2% 69321879 69321879 253465532 0-0 20: 73 217 307 103 147 277 205 133 117 189 262 219 89 148 191 204 263 129 149 173 0.999 19.10 4.3 100 99 99 100 364 147.2 1.453 0.057 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1070 Fructose 19.1606 1872.7 6.9 scans 81% 73 m/z (309) 0.016% 7.65% 1243 0.3 1113 1610970 28.0% 58444620 58444620 213766111 0-0 20: 73 217 307 103 147 277 205 133 117 189 262 219 89 148 191 204 263 129 149 173 0.985 19.19 -2.6 84 87 91 86 554 27.7 0.000 -0.033 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1068 Galactopyranose 19.2489 1879.5 >4 scans 30% 204 m/z (319) 0.66% 0.0698% 1251 1.1 142 40135 1.60% 533544 533544 12215206 0-0 5: 204 191 192 193 435 0.972 19.32 -5.0 89 91 88 94 435 9.8 0.471 -0.066 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1064 Mannose 19.3773 1889.3 9.4 scans 96% 319 m/z 0.011% 17.5% 1263 0.5 1446 2334959 134269134 132771557 7-0 11: 319 321 191 323 309 279 174 164 176 284 556 0.998 19.45 -5.9 100 99 98 100 319 579.1 16.106 -0.078 G:\GCMS data\Nicotiana Panel polar\QC3.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5236 1900.4 3.0 scans 43% 174 m/z (273) 0.10% 0.203% 1277 1.1 261 252068 0.232% 1556268 1376507 1771205 1-0 12: 174 175 338 86 176 339 179 340 250 264 124 180 0.996 19.49 2.6 84 84 69 88 338 66.2 6.436 0.034 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1059 Glucose 19.5941 1906.1 3.1 scans 94% 319 m/z 0.014% 5.10% 1284 0.4 1266 1817170 38956394 35109380 2-1 20: 319 73 205 147 320 160 217 103 321 206 133 117 229 129 157 74 148 207 204 189 0.998 19.55 3.4 100 99 99 99 376 54.5 0.186 0.042 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1060 Lysine 19.6361 1909.5 >3 scans 39% 317 m/z 1.8% 0.0310% 1288 1.4 102 14866 0.287% 237226 233118 2191103 0-2 19: 317 174 156 318 128 434 175 230 100 200 86 228 115 154 114 329 435 214 176 0.986 19.69 -4.6 86 85 80 91 479 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7340 1917.4 3.1 scans 67% 73 m/z 1.8% 0.0201% 1297 1.2 105 14701 0.117% 153470 153470 893237 0-0 12: 73 319 205 147 217 307 103 206 144 148 74 133 0.966 19.79 -4.5 92 92 91 94 434 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\QC3.FIN N406_R~2-N1016 Galacturonic acid 19.7908 1921.9 2.7 scans 26% 333 m/z 3.8% 0.00600% 1302 1.2 49 6903 0.0128% 45861 45861 97722 0-0 5: 333 160 334 335 364 0.981 19.79 -0.2 94 94 88 96 423 6.6 1.849 -0.002 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2969 1962.6 2.9 scans 56% 73 m/z (204) 0.31% 0.141% 1351 1.2 217 85640 1076688 1030862 0-2 20: 73 147 217 189 74 218 133 435 148 117 75 305 203 149 291 221 131 72 243 361 0.967 20.30 0.1 89 91 87 91 433 18.6 0.729 0.001 G:\GCMS data\Nicotiana Panel polar\QC3.FIN GUA35_L1-N1008 Glucopyranose 20.2969 1962.6 2.9 scans 90% 73 m/z (394) 0.22% 0.224% 1351 1.2 274 119382 1715679 1642656 0-2 20: 73 147 217 189 74 218 133 435 148 117 75 305 203 149 291 221 131 72 243 361 0.980 20.41 -9.4 95 97 95 97 217 61.8 5.082 -0.117 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1052 Gluconic acid 2 20.5200 1980.5 2.8 scans 81% 73 m/z 1.0% 0.0608% 1372 0.9 156 26137 0.113% 464442 464442 862699 0-0 20: 73 292 319 147 205 333 217 305 293 359 103 435 320 433 334 321 307 148 189 277 0.991 20.60 -6.2 94 93 93 93 613 5.4 0.118 -0.077 G:\GCMS data\Nicotiana Panel polar\QC3.FIN WTF2-N1038 C16:0 21.1471 2032.4 2.8 scans 87% 313 m/z 1.7% 0.0364% 1431 1.2 113 15161 278187 264302 1-5 19: 313 117 75 132 129 314 145 55 57 201 131 315 328 118 269 116 69 285 133 0.967 20.62 44.1 89 94 93 96 328 12.5 1.223 0.530 G:\GCMS data\Nicotiana Panel polar\QC3.FIN INOSIT~1-N1024 myo-Inositol 21.7037 2079.1 5.7 scans 97% 368 m/z 0.013% 10.9% 1484 0.4 1463 1945786 83553668 81106416 1-1 20: 368 292 508 435 509 294 322 421 201 155 380 365 257 246 437 224 523 109 323 342 0.995 21.75 -3.8 100 100 99 100 507 114.8 0.618 -0.045 G:\GCMS data\Nicotiana Panel polar\QC3.FIN INOSIT~1-N1022 myo-Inositol 21.7037 2079.1 5.7 scans 9.5% 368 m/z (305) 0.10% 1.08% 1484 0.4 457 245574 8297547 8054515 1-1 20: 368 292 508 435 509 294 322 421 201 155 380 365 257 246 437 224 523 109 323 342 0.473 21.74 -3.2 81 92 60 93 507 114.8 6.297 -0.037 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1042 myo-Inositol 21.7079 2079.5 5.1 scans 80% 305 m/z (368) 0.015% 8.89% 1485 0.3 1380 1750387 67875163 66413248 1-1 20: 305 73 217 318 147 191 306 319 265 204 218 307 432 133 433 320 367 129 192 291 0.992 21.77 -5.6 96 98 97 98 318 316.5 5.272 -0.066 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8658 2092.8 3.0 scans 95% 319 m/z 0.16% 0.429% 1500 1.1 370 159165 3281885 3042000 2-2 20: 319 73 205 147 320 217 103 321 262 206 204 117 74 229 157 89 291 148 129 218 0.999 21.93 -5.3 96 93 97 99 656 8.6 0.054 -0.064 G:\GCMS data\Nicotiana Panel polar\QC3.FIN GUANINE-N1026 Guanine 3TMS STD 22.0194 2105.9 2.8 scans 29% 352 m/z 10% 0.00214% 1514 1.1 28 2593 16363 16363 0-0 4: 352 353 367 354 1.000 22.05 -2.5 89 91 58 92 367 11.3 15.686 -0.030 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1951 2121.2 2.5 scans 95% 396 m/z 0.22% 0.259% 1531 1.0 340 118492 0.334% 1984884 1937402 2549924 1-0 20: 396 73 219 397 319 381 398 220 205 191 147 307 382 320 103 249 321 293 75 217 0.999 22.19 0.7 92 87 85 100 396 130.5 14.765 0.009 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6633 2162.1 3.7 scans 88% 204 m/z 0.93% 0.0483% 1575 1.7 118 28598 0.0748% 368793 348652 571061 1-0 16: 204 73 205 147 206 217 131 218 129 191 219 74 133 362 305 189 0.989 22.71 -4.4 97 96 96 99 518 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\QC3.FIN BRA4_R~4-N1012 Spermidine 22.8980 2182.6 3.3 scans 27% 174 m/z 30% 0.00150% 1598 2.1 21 895 11474 11474 0-0 2: 174 200 0.729 22.90 -0.2 84 92 61 90 418 3.0 2.088 -0.002 G:\GCMS data\Nicotiana Panel polar\QC3.FIN WTF2-N1036 C18:0 23.3935 2227.1 3.1 scans 88% TIC 2.4% 0.0270% 1645 1.6 96 10796 0.0556% 206352 206352 424478 0-0 0.992 22.89 45.3 89 95 91 95 356 14.2 2.177 0.505 G:\GCMS data\Nicotiana Panel polar\QC3.FIN BRA4_R~2-N1006 Spermidine 23.5082 2237.6 2.9 scans 55% 144 m/z 7.8% 0.00859% 1656 1.2 56 3435 65638 65638 1-0 9: 144 174 116 156 160 86 170 172 142 0.966 23.51 -0.1 84 83 89 94 490 5.6 1.005 -0.001 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1024 Glycerolgalactose 24.1206 2293.6 2.6 scans 94% 204 m/z 0.28% 0.126% 1714 1.1 228 93678 969540 904214 1-3 20: 204 73 217 147 205 337 103 206 129 218 338 361 219 191 74 131 133 101 75 189 0.999 24.18 -5.5 98 97 98 97 581 3.9 0.029 -0.061 G:\GCMS data\Nicotiana Panel polar\QC3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6478 2343.4 3.3 scans 93% 73 m/z 0.46% 0.199% 1764 0.6 232 58212 1522229 1465730 3-1 20: 73 331 191 147 421 217 307 262 319 103 205 305 422 259 333 308 332 218 320 376 0.994 24.65 -0.2 99 98 98 99 466 13.9 0.361 -0.002 G:\GCMS data\Nicotiana Panel polar\QC3.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7435 2352.5 2.7 scans 86% 73 m/z 1.6% 0.0369% 1773 1.3 126 16264 0.181% 282157 273599 1381845 2-0 20: 73 217 204 147 292 375 305 103 219 218 293 451 205 376 306 148 233 129 191 363 0.992 24.81 -5.9 94 94 92 94 451 15.0 1.413 -0.061 G:\GCMS data\Nicotiana Panel polar\QC3.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3513 2510.2 2.7 scans 92% TIC 0.33% 0.127% 1926 1.6 218 80751 0.322% 972974 883379 2458310 3-0 0.999 26.35 0.2 97 96 96 96 495 43.4 3.969 0.001 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4397 2519.3 3.5 scans 76% TIC 1.4% 0.0471% 1934 0.8 136 19045 0.270% 359732 359732 2061316 0-0 0.979 26.52 -8.3 88 87 85 88 740 15.7 1.347 -0.081 G:\GCMS data\Nicotiana Panel polar\QC3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5312 2528.7 2.8 scans 50% 512 m/z 2.1% 0.0281% 1943 1.1 104 12689 215008 209463 1-1 18: 512 455 513 247 456 483 514 57 457 349 484 263 248 497 498 423 409 249 0.960 26.57 -4.4 95 95 78 95 512 42.7 16.813 -0.042 G:\GCMS data\Nicotiana Panel polar\QC3.FIN WTF2-N1032 Sucrose 26.6469 2540.7 2.8 scans 55% TIC 14% 0.00295% 1954 1.0 37 1881 22547 22547 0-0 0.873 26.87 -23.0 81 84 68 84 451 3.4 0.834 -0.223 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1020 Sucrose 27.4066 2619.8 8.5 scans 10% 451 m/z (361) 0.049% 1.51% 2026 1.3 450 547007 11540639 11376724 1-1 20: 451 438 452 453 440 365 454 292 255 118 317 463 366 455 184 329 100 539 355 382 0.636 27.46 -5.8 96 98 97 99 437 280.3 38.951 -0.054 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1010 Sucrose 27.4066 2619.8 8.5 scans 100% 451 m/z 0.0084% 14.6% 2026 1.3 1420 3188379 111748884 110161676 1-1 20: 451 438 452 453 440 365 454 292 255 118 317 463 366 455 184 329 100 539 355 382 0.998 27.58 -18.4 100 99 98 99 437 280.1 3.920 -0.172 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1014 Sucrose 27.4172 2620.9 8.0 scans 88% 363 m/z 0.0083% 10.5% 2027 0.5 1351 3201563 13.0% 80776909 78250489 99248552 1-0 20: 363 364 331 272 189 205 321 332 345 192 231 450 221 347 293 89 116 215 206 175 1.000 27.49 -7.8 100 99 99 99 437 280.3 4.342 -0.073 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1018 Sucrose 27.4203 2621.3 8.1 scans 49% 361 m/z (73) 0.0083% 7.67% 2028 0.7 1015 3201563 58585101 56664609 1-1 20: 361 362 319 218 191 272 189 205 321 345 192 305 293 291 215 333 175 464 193 178 0.889 27.47 -5.2 90 94 56 92 437 280.3 7.690 -0.050 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1016 Sucrose 27.4424 2623.6 7.5 scans 49% 73 m/z (361) 0.016% 6.85% 2030 0.2 1017 1674591 52336403 50502144 1-1 20: 73 217 147 103 129 271 169 218 74 243 191 75 117 133 219 189 131 148 331 272 0.978 27.48 -3.7 88 91 94 93 437 16.2 0.000 -0.035 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1008 Sucrose 27.4424 2623.6 7.5 scans 99% 73 m/z 0.0086% 13.5% 2030 0.2 1447 3124242 103728461 100093039 1-1 20: 73 217 147 103 129 271 169 218 74 243 191 75 117 133 219 189 131 148 331 272 0.999 27.59 -15.9 100 99 98 99 437 268.8 3.473 -0.149 G:\GCMS data\Nicotiana Panel polar\QC3.FIN LQC1-N1006 Trehalose 28.3715 2724.0 3.1 scans 67% 361 m/z 2.5% 0.0146% 2118 1.0 70 10450 0.0423% 112022 107109 322940 0-1 8: 361 362 191 363 169 243 129 331 0.983 28.47 -10.9 92 92 85 93 565 0.0 0.000 -0.097 G:\GCMS data\Nicotiana Panel polar\QC3.FIN GUA35_L1-N1020 Galactinol 30.4790 2964.5 3.2 scans 67% 204 m/z 4.9% 0.00987% 2318 0.8 52 5438 0.0495% 75388 63272 377908 4-4 5: 204 217 191 205 305 0.861 30.55 -7.9 87 88 75 88 641 5.9 1.314 -0.066 G:\GCMS data\Nicotiana Panel polar\QC3.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7480 3115.2 7.8 scans 81% 204 m/z 7.2% 0.0125% 2439 2.9 42 3690 0.0150% 95541 88694 114518 1-0 2: 204 597 0.994 31.68 8.6 83 83 78 83 597 9.1 4.701 0.073 G:\GCMS data\Nicotiana Panel polar\QC4.FIN EXBLK5S-N1006 Contamination 6.6172 1062.8 2.6 scans 68% 207 m/z 0.85% 0.0389% 50 2.0 115 31751 0.0997% 319279 229928 816793 10-3 14: 207 73 295 208 209 296 191 279 297 193 189 192 177 163 0.985 6.63 -0.5 99 98 95 98 295 34.8 9.152 -0.008 G:\GCMS data\Nicotiana Panel polar\QC4.FIN BRA4_R~4-N1014 Lactic acid 6.8298 1075.4 >7 scans 39% TIC 8.6% 0.00591% 71 2.7 45 3111 0.0815% 48463 48463 667689 0-0 0.886 6.82 0.5 89 86 79 98 295 2.7 0.000 0.009 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1194 Alanine 7.4390 1111.6 10.0 scans 71% TIC 1.2% 0.0522% 129 0.4 91 21434 0.126% 427727 427727 1032256 0-0 0.980 7.40 2.1 95 95 94 96 283 0.0 0.000 0.035 G:\GCMS data\Nicotiana Panel polar\QC4.FIN A-KETO~2-N1006 Contamination?? 7.9272 1140.5 2.7 scans 78% 156 m/z 2.1% 0.0140% 175 1.1 78 12300 0.0200% 115286 106754 163850 7-2 7: 156 75 55 157 54 158 61 0.994 7.96 -1.7 99 99 97 99 156 42.1 29.387 -0.030 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1192 Contamination 8.0103 1145.4 2.8 scans 65% 147 m/z 4.6% 0.00908% 183 1.5 61 5796 0.0155% 74396 73790 126984 1-0 10: 147 73 133 220 235 86 59 146 148 72 0.951 7.99 1.2 91 91 87 92 235 11.3 3.388 0.021 G:\GCMS data\Nicotiana Panel polar\QC4.FIN WTF2-N1026 Cadaverine NC 8.1987 1156.6 2.8 scans 53% 174 m/z 7.5% 0.00420% 201 1.3 37 3584 0.00512% 34451 25774 41946 0-5 4: 174 216 175 86 0.979 7.74 27.4 86 86 78 94 216 9.1 5.993 0.463 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1188 Contamination 8.3859 1167.7 4.7 scans 78% 281 m/z 2.8% 0.0204% 218 1.8 73 9446 0.0314% 167638 161402 257245 3-0 12: 281 369 147 282 73 283 370 265 371 191 207 148 0.991 8.41 -1.7 98 97 83 99 369 21.3 8.637 -0.029 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1190 Contamination 8.4838 1173.5 2.9 scans 70% 73 m/z 3.0% 0.0109% 228 1.0 67 8767 0.0223% 89602 88557 182693 0-1 10: 73 198 211 140 77 126 70 186 69 215 0.970 8.48 -0.0 94 94 90 95 309 6.8 1.029 -0.000 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1186 Phosphate 8.5606 1178.0 2.5 scans 76% 241 m/z 1.3% 0.0182% 235 1.1 91 20085 149886 149359 0-1 12: 241 242 133 211 163 243 256 135 195 137 134 107 0.946 8.56 0.0 93 91 88 98 299 0.0 0.000 -0.000 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1184 Valine 9.1793 1214.5 3.6 scans 83% 144 m/z (156) 1.2% 0.0288% 294 0.7 92 22224 0.0477% 236707 219604 390783 3-6 11: 144 73 218 145 147 100 219 132 59 74 128 0.991 9.19 -0.5 97 98 95 98 218 26.5 8.373 -0.009 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1180 Benzoic acid 9.7454 1247.7 3.2 scans 73% 179 m/z 3.7% 0.0118% 348 1.0 63 7112 97131 90351 1-2 7: 179 105 135 77 180 194 136 0.888 9.76 -0.8 90 87 84 98 194 9.0 2.085 -0.014 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1178 Ethanolamine 10.0021 1262.7 4.0 scans 89% 174 m/z 0.67% 0.0585% 372 0.9 125 39740 0.377% 479609 436166 3088575 2-0 13: 174 73 175 100 176 86 59 133 130 131 114 172 188 0.997 10.03 -1.8 99 98 98 98 262 13.2 1.113 -0.032 G:\GCMS data\Nicotiana Panel polar\QC4.FIN VEN77_S6-N1002 Glycerol 10.0968 1268.2 3.2 scans 93% TIC 0.016% 1.79% 381 0.6 798 1649576 14701812 13921039 1-1 0.972 10.09 0.2 100 99 96 100 299 487.5 37.508 0.003 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LACTIC~1-N1034 Glycerol 10.1031 1268.6 3.4 scans 8.0% 147 m/z (299) 0.28% 0.146% 382 0.7 218 95242 0.155% 1203175 1134838 1269839 2-2 17: 147 117 103 206 148 149 177 89 219 116 118 71 220 176 146 67 88 0.588 10.11 -0.4 88 97 59 94 293 16.3 0.564 -0.007 G:\GCMS data\Nicotiana Panel polar\QC4.FIN A-AMYRIN-N1012 Contamination?? 10.2484 1277.1 2.7 scans 87% 73 m/z 1.0% 0.0263% 396 1.1 105 25847 216263 210946 1-1 17: 73 198 211 77 70 199 74 381 212 289 72 143 200 142 63 78 92 0.987 10.24 0.5 98 97 95 97 381 12.1 1.331 0.008 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1176 Isoleucine 10.4398 1288.3 >4 scans 78% TIC 1.4% 0.0233% 414 1.2 90 19289 0.0247% 191000 186121 202355 2-0 0.992 10.46 -1.1 98 97 95 98 260 6.7 0.557 -0.019 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1012 Proline 10.5261 1293.3 2.9 scans 95% 142 m/z 0.043% 0.523% 422 0.7 435 614842 1.99% 4290078 3854754 16303090 6-1 20: 142 73 143 216 147 144 59 75 74 72 66 217 133 101 148 100 244 218 70 58 0.996 10.53 -0.5 100 98 99 100 216 79.9 3.387 -0.007 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1014 Maleic acid 10.6061 1298.0 2.8 scans 95% 147 m/z 0.067% 0.395% 430 0.8 400 397892 1.85% 3242162 3242088 15156139 1-0 20: 147 73 245 148 75 149 83 133 74 143 246 115 59 170 84 126 58 247 66 215 0.997 10.60 0.2 99 98 98 99 245 93.2 5.434 0.004 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1170 Glycine 10.6598 1301.2 >4 scans 62% TIC 0.94% 0.0180% 435 1.3 110 28662 1.70% 148203 148203 13927263 0-0 0.995 10.69 -1.6 93 93 89 93 276 17.6 2.574 -0.027 G:\GCMS data\Nicotiana Panel polar\QC4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7555 1307.0 3.4 scans 93% TIC 0.023% 1.46% 444 0.9 665 1132250 11968902 11227624 1-2 0.977 10.76 -0.1 99 98 98 100 251 153.4 5.347 -0.002 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1168 Glyceric acid 11.0301 1323.5 2.4 scans 98% 73 m/z 0.050% 0.883% 470 0.8 632 534398 7239835 7215638 1-0 20: 73 147 292 189 133 103 205 293 102 117 190 148 307 75 74 294 149 59 101 191 1.000 11.05 -1.4 100 100 99 100 292 191.9 9.238 -0.024 G:\GCMS data\Nicotiana Panel polar\QC4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0838 1326.7 2.6 scans 59% 184 m/z 6.0% 0.00722% 475 1.1 58 4437 0.0356% 59212 58933 291653 0-1 11: 184 285 134 174 86 77 100 286 59 227 185 0.921 11.06 1.2 92 91 75 96 285 19.2 11.127 0.021 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1018 Uracil 11.1406 1330.1 2.6 scans 62% 241 m/z 6.2% 0.00599% 480 1.3 49 4317 49113 45669 1-2 7: 241 256 255 99 242 113 257 0.883 11.15 -0.5 96 95 91 99 256 16.7 11.338 -0.007 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1164 Itaconic acid 11.2206 1335.0 2.6 scans 81% 147 m/z 1.6% 0.0183% 488 0.8 90 16554 0.0195% 150367 139727 159754 1-1 15: 147 73 259 215 148 149 230 97 166 141 74 133 68 67 268 0.986 11.25 -1.9 89 86 89 95 259 18.2 4.080 -0.031 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1162 Fumaric acid 11.3689 1343.9 2.5 scans 97% 245 m/z 0.065% 0.423% 502 0.8 437 409380 3473501 3335116 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 74 155 84 53 59 61 157 58 1.000 11.39 -1.4 100 99 99 100 245 242.9 30.983 -0.024 G:\GCMS data\Nicotiana Panel polar\QC4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4605 1349.4 3.2 scans 34% 57 m/z 1.3% 0.0240% 511 1.2 92 19583 0.0458% 197017 188781 375217 2-0 13: 57 97 145 115 127 69 129 109 111 71 128 98 87 0.607 11.45 0.9 85 85 85 95 145 26.8 8.549 0.014 G:\GCMS data\Nicotiana Panel polar\QC4.FIN WTF2-N1024 Contamination 10.96min 11.4742 1350.2 3.1 scans 70% 84 m/z (204) 0.64% 0.0561% 512 1.3 141 42062 459889 433014 2-1 14: 84 161 162 92 119 82 65 85 63 51 78 91 64 93 0.922 10.96 31.2 82 81 92 98 161 33.9 5.813 0.518 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1160 Serine 11.5110 1352.4 2.7 scans 95% TIC 0.15% 0.288% 516 0.9 334 170983 0.343% 2364949 2296011 2810030 0-1 0.995 11.56 -2.8 100 99 98 99 306 34.9 1.093 -0.046 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1024 Threonine 11.9182 1377.0 2.6 scans 95% 73 m/z 0.37% 0.119% 554 1.2 229 72719 975431 970394 1-0 20: 73 218 219 117 291 292 101 147 220 100 57 74 75 293 203 128 129 132 221 133 0.993 11.92 -0.1 100 100 99 100 320 21.0 0.840 -0.003 G:\GCMS data\Nicotiana Panel polar\QC4.FIN N406_R~1-N1016 b-Alanine 12.6063 1419.2 2.6 scans 34% 248 m/z 18% 0.00266% 620 1.1 34 1432 21834 21834 0-0 4: 248 174 290 129 0.731 12.60 0.2 89 91 63 97 304 0.0 0.000 0.004 G:\GCMS data\Nicotiana Panel polar\QC4.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2797 1461.6 3.0 scans 9.1% 247 m/z (155) 6.4% 0.00520% 684 1.2 44 4200 42606 42606 1-0 7: 247 248 259 115 321 233 249 0.599 13.31 -1.7 82 89 35 85 349 8.0 3.248 -0.026 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1148 Glutamine?? 13.3039 1463.2 2.9 scans 92% TIC 0.22% 0.132% 686 0.8 230 121402 0.184% 1081739 1046611 1507421 1-1 0.991 13.35 -2.7 99 97 98 99 257 17.8 0.600 -0.043 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1146 Malic acid 13.5849 1480.8 4.1 scans 98% 73 m/z 0.013% 5.14% 713 0.3 1196 2038031 42147593 41470716 1-0 20: 73 147 233 245 133 189 190 335 148 191 175 75 234 101 74 217 149 265 55 307 1.000 13.62 -2.0 100 100 100 100 350 32.5 0.074 -0.032 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1144 Contamination Parabanica acid 13.7595 1491.8 2.9 scans 82% 115 m/z 1.3% 0.0481% 729 1.0 134 20713 0.0557% 394087 358729 456323 4-2 17: 115 100 243 128 116 244 158 201 59 72 101 142 131 102 129 99 84 0.977 13.81 -3.0 97 97 94 98 243 52.2 15.114 -0.046 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1140 Aspartic acid 14.0268 1509.1 2.5 scans 46% 232 m/z (156) 0.26% 0.123% 755 1.0 228 102152 1009471 942738 1-1 18: 232 233 218 100 234 202 188 216 219 334 292 101 220 130 204 189 203 349 0.920 14.09 -4.0 95 97 90 98 349 13.5 0.348 -0.060 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0489 1510.6 4.4 scans 84% TIC 0.096% 0.429% 757 0.5 349 280456 3514850 3353961 1-1 0.969 14.03 1.3 99 98 98 99 258 67.5 3.755 0.019 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1138 Pyroglutamic acid 14.0510 1510.7 3.0 scans 89% 156 m/z 0.080% 0.341% 757 0.7 358 336464 2800794 2657571 1-1 18: 156 157 258 147 230 158 231 259 140 148 72 58 155 112 121 55 86 260 0.985 14.11 -4.0 100 99 99 99 273 15.2 0.180 -0.059 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1032 GABA 14.1951 1520.3 2.6 scans 93% 174 m/z 0.10% 0.332% 771 0.9 374 249434 0.338% 2726650 2608780 2769068 0-2 20: 174 304 73 147 175 305 75 86 176 59 216 100 306 143 246 133 172 148 130 74 0.997 14.19 0.5 100 99 98 99 304 116.9 9.797 0.007 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1134 GABA 14.1951 1520.3 2.6 scans 92% 174 m/z (226) 0.10% 0.340% 771 0.9 372 249371 0.346% 2789063 2668495 2834608 0-2 20: 174 304 73 147 175 305 75 86 176 59 216 100 306 143 246 133 172 148 130 74 0.999 14.24 -3.1 98 99 98 99 304 117.0 9.880 -0.047 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3635 1531.5 5.3 scans 69% TIC 1.4% 0.0448% 787 0.4 102 18678 1.60% 367671 347353 13108012 0-3 0.893 14.62 -17.1 92 93 85 94 409 8.3 0.663 -0.258 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6297 1549.1 2.5 scans 99% 73 m/z 0.026% 1.76% 812 0.7 888 1004304 14481052 14449187 1-0 20: 73 292 147 220 205 217 293 117 103 294 221 148 133 319 74 149 291 102 206 75 1.000 14.69 -4.1 100 99 99 100 409 69.2 0.609 -0.062 G:\GCMS data\Nicotiana Panel polar\QC4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7433 1556.7 2.8 scans 55% 174 m/z (267) 0.78% 0.0374% 823 1.0 122 34567 307023 305716 0-1 17: 174 175 86 250 176 100 59 251 65 130 118 162 87 158 131 252 144 0.957 14.16 38.4 89 94 91 99 250 24.1 3.909 0.578 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1126 Pyrazine 15.0737 1578.6 2.8 scans 76% TIC 1.5% 0.0304% 854 1.1 114 17379 249673 239274 1-0 0.888 15.13 -3.8 97 97 92 98 344 33.2 8.567 -0.058 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3831 1599.1 2.7 scans 71% 217 m/z 1.0% 0.0201% 884 1.3 97 24620 0.0498% 164726 164726 407987 0-0 8: 217 218 219 129 103 230 189 215 0.958 15.44 -3.9 96 96 93 96 393 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1120 Glutamic acid 15.5051 1607.5 2.5 scans 72% 246 m/z 2.0% 0.0137% 895 1.1 80 12901 112858 112111 0-1 9: 246 128 247 248 348 156 230 84 100 0.969 15.56 -3.8 97 96 90 96 363 8.1 1.029 -0.055 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1118 Phenylalanine 15.6072 1614.6 2.6 scans 68% 218 m/z (328) 0.85% 0.0544% 905 1.1 151 31751 445944 422939 1-1 11: 218 192 219 100 91 266 220 160 65 132 294 0.879 15.66 -3.6 90 90 85 97 294 10.9 0.513 -0.052 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1038 Xylose 15.8923 1634.4 >3 scans 80% TIC 1.8% 0.0194% 932 0.8 96 14304 0.161% 158999 158999 1318994 0-0 0.990 15.89 0.2 87 82 85 98 307 24.3 6.425 0.002 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1040 Xylose 16.0039 1642.1 3.1 scans 81% TIC 0.40% 0.117% 943 1.0 211 66378 0.157% 963375 926279 1286224 1-1 0.887 16.00 0.0 95 92 93 99 307 52.3 6.164 -0.000 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1042 Ribose 16.1049 1649.2 2.7 scans 84% 73 m/z 0.84% 0.0497% 952 1.1 147 32150 0.325% 407543 390969 2662565 1-1 20: 73 103 307 217 147 308 189 160 277 218 133 309 104 74 205 89 219 117 278 233 0.990 16.10 0.2 96 93 95 99 307 43.6 8.822 0.002 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1108 Ribose 16.3216 1664.2 2.8 scans 90% TIC 0.38% 0.127% 973 0.6 221 69944 0.233% 1042926 1038032 1908854 1-1 0.984 16.38 -3.7 96 95 95 98 467 5.5 0.062 -0.053 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6162 1684.7 2.7 scans 81% 73 m/z 1.3% 0.0337% 1001 1.4 126 19598 0.0602% 276863 276863 493189 0-0 20: 73 319 307 147 103 217 308 205 129 306 309 218 321 277 229 148 74 243 317 189 0.987 16.68 -4.1 99 98 96 98 497 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9309 1706.9 3.8 scans 68% TIC 2.5% 0.0179% 1031 1.5 94 10802 0.281% 147188 147188 2302095 0-0 0.977 16.99 -4.2 92 91 89 92 422 3.3 0.124 -0.058 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9993 1711.8 3.1 scans 86% TIC 0.88% 0.0635% 1037 1.2 153 30475 0.336% 520511 495372 2752683 0-2 0.989 17.06 -4.7 96 96 94 96 510 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1044 Putrescine 17.1918 1725.9 2.9 scans 83% 174 m/z (73) 0.27% 0.0919% 1055 1.1 186 97052 752936 738670 1-1 20: 174 175 214 176 86 172 200 361 59 100 130 142 376 173 362 215 187 114 126 99 0.997 17.19 0.3 97 97 97 99 376 14.3 0.591 0.004 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1096 Putrescine 17.1918 1725.9 2.9 scans 72% 174 m/z 0.27% 0.0787% 1055 1.1 173 97573 645120 632897 1-1 20: 174 175 214 176 86 172 200 361 59 100 130 142 376 173 362 215 187 114 126 99 0.989 17.25 -4.1 97 95 95 98 458 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3823 1739.8 3.7 scans 72% TIC 2.2% 0.0242% 1074 1.5 93 12135 0.333% 198779 198779 2728105 0-0 0.964 17.44 -4.5 96 96 93 96 511 6.1 0.432 -0.061 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5695 1753.5 2.9 scans 94% TIC 0.10% 0.328% 1091 0.9 352 255655 0.404% 2692849 2549002 3309773 4-1 0.997 17.63 -4.5 98 96 97 98 450 43.5 1.532 -0.062 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7021 1763.1 6.7 scans 67% TIC 0.81% 0.0490% 1104 0.9 183 33169 0.266% 401535 401535 2179207 0-0 0.994 17.70 0.2 94 93 92 93 375 23.8 1.685 0.003 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1086 Fructofuranose 18.0693 1790.0 3.3 scans 27% 217 m/z 2.4% 0.0118% 1139 1.7 61 11175 0.0311% 97030 96489 254787 2-0 8: 217 437 438 218 439 257 316 435 0.902 18.13 -4.6 83 85 47 85 437 26.1 18.209 -0.065 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1046 Shikimic acid 18.1356 1794.8 6.3 scans 71% TIC 0.59% 0.161% 1145 0.7 172 45584 0.416% 1319288 1266090 3408083 1-0 0.857 18.13 0.8 96 96 93 98 372 17.1 0.982 0.011 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1082 Citric acid 18.2514 1803.4 2.8 scans 88% 273 m/z 0.23% 0.261% 1156 1.1 319 117175 0.332% 2142706 1945276 2719913 3-10 20: 273 73 147 347 375 363 274 465 149 275 211 364 148 348 75 376 305 183 466 257 0.986 18.32 -5.3 99 98 96 99 465 50.2 2.484 -0.070 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1076 Pregnane?? 18.7974 1845.0 3.6 scans 96% 345 m/z 0.018% 3.05% 1208 1.1 960 1431914 25032334 23766961 1-1 20: 345 73 346 255 147 347 334 256 191 204 435 419 372 133 257 148 348 239 74 537 1.000 18.86 -4.7 100 100 99 100 537 76.1 0.633 -0.061 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1074 Adenine 18.8816 1851.5 3.1 scans 57% 264 m/z 0.95% 0.0200% 1216 1.3 91 28157 0.270% 163977 163977 2211977 0-0 11: 264 279 265 266 192 280 84 165 85 99 111 0.970 18.94 -4.4 95 95 89 95 415 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1072 Fructose 18.9984 1860.4 8.7 scans 97% 73 m/z 0.014% 8.31% 1227 0.6 1304 1851490 21.0% 68080001 66899264 172042661 1-0 20: 73 307 217 103 147 308 218 277 309 133 205 189 74 104 117 148 89 75 278 172 1.000 19.03 -2.6 100 98 99 99 364 150.0 1.329 -0.035 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1050 Fructose 19.0279 1862.6 >3 scans 99% 366 m/z 0.016% 4.56% 1230 2.3 1242 1614930 27.3% 37399272 37399272 223655459 0-0 20: 366 350 220 229 264 311 328 158 76 248 257 351 570 242 140 358 338 420 240 395 1.000 18.98 3.6 100 99 99 100 364 147.6 1.416 0.048 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1052 Fructose 19.1615 1872.8 7.0 scans 97% 73 m/z 0.015% 9.16% 1243 0.3 1296 1753255 31.7% 75123299 75123299 259702493 0-0 20: 73 307 217 103 147 308 277 218 309 364 205 133 74 117 89 219 189 262 148 104 0.998 19.10 4.4 100 99 99 100 364 154.0 1.417 0.058 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1066 Glucose 19.2215 1877.4 >5 scans 16% 319 m/z (73) 1.3% 0.0255% 1248 1.7 90 20690 7.87% 209225 209225 64475035 0-0 5: 319 160 320 321 229 0.900 19.40 -13.5 81 84 64 84 319 54.6 36.708 -0.178 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1064 Mannose 19.3688 1888.6 9.6 scans 97% 321 m/z 0.011% 16.3% 1262 0.1 1440 2322679 134305738 132902922 2-1 9: 321 277 323 233 175 200 263 168 377 0.997 19.45 -6.6 100 99 98 99 319 578.5 16.199 -0.086 G:\GCMS data\Nicotiana Panel polar\QC4.FIN BRA4_R~2-N1004 Galactose 19.4025 1891.2 9.3 scans 70% 319 m/z (273) 0.011% 12.2% 1266 0.1 1280 2452351 100114643 98714540 3-1 20: 319 73 205 147 160 217 103 206 117 157 229 133 129 204 148 189 74 207 161 218 0.872 19.36 3.1 84 96 78 86 364 19.5 0.000 0.041 G:\GCMS data\Nicotiana Panel polar\QC4.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5235 1900.4 2.9 scans 45% 174 m/z (273) 0.098% 0.207% 1277 1.1 275 275162 0.237% 1700443 1517235 1941624 1-0 17: 174 175 338 86 176 339 179 340 264 250 165 180 469 400 251 341 124 0.997 19.49 2.6 84 84 69 89 338 68.4 6.218 0.033 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1059 Glucose 19.5961 1906.3 3.5 scans 97% TIC 0.014% 5.65% 1284 0.4 1294 1833951 5.67% 46319508 45048030 46451518 2-0 0.998 19.55 3.6 100 99 99 99 376 55.3 0.183 0.044 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1060 Lysine 19.6382 1909.7 >4 scans 45% 174 m/z (319) 1.7% 0.0365% 1288 1.2 113 15317 0.338% 299604 293077 2769068 0-1 15: 174 317 156 318 128 230 175 200 434 86 330 176 140 228 329 0.839 19.69 -4.4 83 82 81 94 479 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7318 1917.2 3.0 scans 58% 319 m/z 3.0% 0.0129% 1297 0.9 87 8891 0.0668% 106099 106099 547260 0-0 9: 319 320 205 147 217 307 321 103 117 0.967 19.79 -4.7 86 85 80 88 434 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\QC4.FIN N406_R~2-N1016 Galacturonic acid 19.7907 1921.9 2.7 scans 23% 333 m/z 4.1% 0.00565% 1302 1.1 47 6527 0.00824% 46323 46323 67506 0-0 4: 333 334 335 364 0.946 19.79 -0.2 92 92 81 95 423 7.4 2.431 -0.002 G:\GCMS data\Nicotiana Panel polar\QC4.FIN GUA35_L1-N1008 Glucopyranose 20.2937 1962.4 2.6 scans 87% 204 m/z 0.31% 0.136% 1350 1.1 242 84462 1121756 1101530 0-1 13: 204 191 205 206 192 189 193 203 231 243 317 437 130 0.883 20.41 -9.6 95 96 93 97 217 63.2 6.839 -0.120 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2989 1962.8 2.9 scans 63% 73 m/z (204) 0.35% 0.126% 1351 1.2 217 77144 1033302 1002461 1-1 20: 73 217 147 218 133 74 148 129 435 305 117 75 149 291 306 131 331 361 436 72 0.971 20.30 0.3 93 94 90 94 433 20.5 0.892 0.003 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1052 Gluconic acid 2 20.5199 1980.5 2.9 scans 80% 73 m/z 0.82% 0.0700% 1372 0.9 171 32908 0.152% 573475 573475 1245261 0-0 20: 73 292 319 147 333 205 217 305 293 320 103 433 334 294 435 359 321 277 306 307 0.993 20.60 -6.2 93 93 93 93 613 5.2 0.093 -0.077 G:\GCMS data\Nicotiana Panel polar\QC4.FIN WTF2-N1038 C16:0 21.1460 2032.3 2.8 scans 84% 313 m/z 1.9% 0.0305% 1431 1.3 110 13660 0.0308% 250672 233760 252329 2-10 20: 313 117 73 75 132 129 145 314 55 57 328 315 118 69 131 95 83 269 133 67 0.979 20.62 44.0 89 95 92 96 328 12.3 1.256 0.529 G:\GCMS data\Nicotiana Panel polar\QC4.FIN INOSIT~1-N1024 myo-Inositol 21.7057 2079.3 6.2 scans 100% 433 m/z 0.013% 11.5% 1484 0.2 1484 2005419 94755881 94747020 1-0 18: 433 434 394 369 435 419 395 509 436 370 332 346 270 164 360 240 521 597 0.999 21.75 -3.6 100 100 99 100 507 113.2 0.584 -0.043 G:\GCMS data\Nicotiana Panel polar\QC4.FIN INOSIT~1-N1022 myo-Inositol 21.7099 2079.7 6.2 scans 8.7% 432 m/z (305) 0.11% 1.05% 1485 0.2 448 240684 8613153 8606612 1-0 20: 432 393 507 368 309 295 278 407 406 612 83 408 310 371 404 246 237 397 333 296 0.543 21.74 -2.6 84 94 65 95 507 115.2 6.605 -0.031 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1042 myo-Inositol 21.7173 2080.3 5.7 scans 85% 305 m/z (433) 0.013% 9.91% 1486 0.2 1435 1940604 81210971 80053939 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 320 129 367 133 291 148 219 192 0.987 21.77 -4.8 95 96 97 98 318 388.6 7.353 -0.057 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8657 2092.7 3.1 scans 95% 319 m/z 0.17% 0.407% 1500 1.1 372 158775 3336936 3107213 2-2 20: 319 73 205 147 320 217 103 321 262 206 117 74 204 229 133 157 263 89 148 291 0.999 21.93 -5.4 96 93 96 99 656 8.3 0.050 -0.064 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1032 trans-Caffeic acid 22.1939 2121.1 2.6 scans 93% 396 m/z 0.28% 0.204% 1531 1.1 307 94042 0.289% 1671935 1618330 2367635 1-0 20: 396 73 219 319 397 381 205 147 398 191 220 320 307 103 382 217 249 75 74 293 0.997 22.25 -4.9 92 90 88 95 396 111.2 13.120 -0.056 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6632 2162.1 3.5 scans 88% 204 m/z 0.91% 0.0453% 1575 1.6 120 29458 0.0685% 371410 359842 561187 1-0 18: 204 73 205 147 249 217 361 131 191 74 129 250 75 362 103 189 219 133 0.990 22.71 -4.4 97 95 96 98 518 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\QC4.FIN BRA4_R~4-N1012 Spermidine 22.9000 2182.8 3.4 scans 45% TIC 22% 0.00206% 1598 1.7 30 1204 0.0376% 16924 15198 308038 0-1 0.953 22.90 -0.0 89 95 84 94 418 4.3 2.111 -0.000 G:\GCMS data\Nicotiana Panel polar\QC4.FIN WTF2-N1036 C18:0 23.3945 2227.2 3.1 scans 82% 341 m/z 3.3% 0.0221% 1645 1.7 84 8064 0.0252% 181750 157539 206451 1-4 16: 341 117 132 342 145 75 129 55 57 356 118 343 69 201 297 313 0.976 22.89 45.4 87 94 88 94 356 11.9 2.030 0.505 G:\GCMS data\Nicotiana Panel polar\QC4.FIN BRA4_R~2-N1006 Spermidine 23.5113 2237.9 6.2 scans 55% TIC 11% 0.00572% 1656 0.0 50 2446 0.0354% 46915 46915 290015 0-0 0.983 23.51 0.2 86 85 90 92 490 3.7 0.555 0.002 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1024 Glycerolgalactose 24.1195 2293.5 2.6 scans 94% 204 m/z 0.33% 0.108% 1714 1.0 216 81727 887658 832965 1-3 20: 204 73 217 205 147 337 103 129 206 219 218 131 191 338 361 74 133 339 148 101 0.999 24.18 -5.6 98 97 97 97 581 3.7 0.029 -0.063 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6477 2343.4 3.2 scans 94% 73 m/z 0.43% 0.191% 1764 0.6 239 62217 1569139 1530822 3-1 20: 73 331 147 217 191 262 421 307 319 205 103 332 305 259 333 422 308 192 376 263 0.994 24.65 -0.2 99 98 98 99 466 14.5 0.370 -0.002 G:\GCMS data\Nicotiana Panel polar\QC4.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7424 2352.4 2.8 scans 83% 73 m/z 2.1% 0.0243% 1773 1.1 108 12598 0.159% 199825 191504 1302609 2-0 20: 73 204 217 147 292 375 305 103 219 205 218 451 376 293 363 129 206 452 148 191 0.991 24.81 -6.0 92 91 89 91 451 12.6 1.382 -0.063 G:\GCMS data\Nicotiana Panel polar\QC4.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3512 2510.1 2.8 scans 88% TIC 0.75% 0.0586% 1926 1.7 144 36009 0.209% 480750 415237 1712234 3-0 0.995 26.35 0.1 93 93 93 93 495 27.9 3.773 0.001 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4396 2519.3 3.3 scans 77% TIC 1.5% 0.0423% 1934 0.8 129 17903 0.182% 346707 346707 1491036 0-0 0.972 26.52 -8.3 87 87 84 86 740 14.2 1.220 -0.081 G:\GCMS data\Nicotiana Panel polar\QC4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5311 2528.7 2.7 scans 58% 512 m/z (204) 2.2% 0.0287% 1943 1.0 109 12213 235600 221768 1-1 19: 512 455 513 247 456 514 57 483 457 484 263 349 248 497 423 249 498 409 515 0.937 26.57 -4.4 94 96 84 96 512 42.0 14.874 -0.042 G:\GCMS data\Nicotiana Panel polar\QC4.FIN WTF2-N1032 Sucrose 26.6479 2540.8 2.8 scans 63% 361 m/z 10% 0.00511% 1954 1.0 47 2538 41907 39227 1-1 5: 361 437 217 273 438 0.927 26.87 -22.9 82 85 74 85 451 4.6 0.947 -0.222 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1020 Sucrose 27.4044 2619.6 8.1 scans 10% 437 m/z (361) 0.048% 1.39% 2026 1.3 456 556487 11448591 11348083 1-0 20: 437 451 438 305 440 308 450 135 255 309 99 263 455 54 377 118 202 174 86 209 0.809 27.46 -6.0 96 97 96 99 437 283.2 38.719 -0.057 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1010 Sucrose 27.4044 2619.6 8.1 scans 100% 437 m/z 0.0084% 13.5% 2026 1.3 1435 3196920 111068483 110093405 1-0 20: 437 451 438 305 440 308 450 135 255 309 99 263 455 54 377 118 202 174 86 209 0.998 27.58 -18.6 100 99 98 99 437 282.2 3.891 -0.175 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1018 Sucrose 27.4149 2620.7 7.9 scans 49% 361 m/z (73) 0.0084% 6.95% 2027 0.2 1016 3196920 56967109 56382066 1-0 20: 361 362 205 321 241 203 306 454 247 175 435 220 293 322 193 366 261 434 132 249 0.883 27.47 -5.8 90 94 56 92 437 283.2 7.831 -0.055 G:\GCMS data\Nicotiana Panel polar\QC4.FIN TAB_REP6-N1070 Sucrose 27.4149 2620.7 7.9 scans 82% 361 m/z (363) 0.0084% 11.4% 2027 0.2 1304 3196920 93853338 92889479 1-0 20: 361 362 205 321 241 203 306 454 247 175 435 220 293 322 193 366 261 434 132 249 0.963 27.41 0.6 91 91 75 98 451 131.8 1.027 0.005 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1014 Sucrose 27.4181 2621.0 >6 scans 94% 319 m/z 0.0084% 10.7% 2027 0.5 1400 3196920 13.0% 88428789 85009059 106502600 1-0 14: 319 218 317 259 203 89 55 141 116 247 435 193 455 304 1.000 27.49 -7.7 100 99 99 100 437 283.2 4.123 -0.072 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1016 Sucrose 27.4413 2623.5 7.6 scans 47% 73 m/z (363) 0.016% 6.27% 2030 0.2 1003 1668930 51422319 49285855 1-1 20: 73 217 147 103 129 271 169 243 218 74 191 75 219 133 189 117 149 230 148 131 0.908 27.48 -3.8 87 91 93 93 437 16.2 0.000 -0.036 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1008 Sucrose 27.4413 2623.5 7.6 scans 98% 73 m/z 0.0087% 12.6% 2030 0.2 1445 3072139 103890858 99574462 1-1 20: 73 217 147 103 129 271 169 243 218 74 191 75 219 133 189 117 149 230 148 131 1.000 27.59 -16.0 100 99 97 99 437 268.2 3.464 -0.150 G:\GCMS data\Nicotiana Panel polar\QC4.FIN LQC1-N1006 Trehalose 28.3703 2723.9 2.9 scans 69% TIC 3.5% 0.00691% 2118 1.2 64 7585 0.0874% 56624 56624 716025 0-0 0.972 28.47 -11.0 93 93 81 93 565 0.0 0.000 -0.098 G:\GCMS data\Nicotiana Panel polar\QC4.FIN GUA35_L1-N1020 Galactinol 30.6252 2981.9 3.0 scans 93% 204 m/z 0.92% 0.0387% 2332 1.2 122 29203 317388 303653 1-2 20: 204 73 217 205 191 147 206 129 305 433 103 218 361 230 319 318 192 291 148 293 0.997 30.55 9.5 82 81 92 83 641 0.0 0.000 0.080 G:\GCMS data\Nicotiana Panel polar\QC6.FIN EXBLK5S-N1006 Contamination 6.3920 1049.5 3.5 scans 57% 207 m/z 1.8% 0.0351% 29 1.5 80 15093 0.0663% 270547 157072 510529 6-12 9: 207 295 208 209 296 297 191 279 193 0.972 6.63 -13.8 97 96 90 97 295 26.2 10.757 -0.233 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1194 Alanine 7.4316 1111.1 >6 scans 42% 116 m/z 2.6% 0.0151% 128 0.4 59 10269 0.0524% 116692 116692 403495 0-0 1: 116 0.957 7.40 1.6 90 90 82 91 283 0.0 0.000 0.028 G:\GCMS data\Nicotiana Panel polar\QC6.FIN A-KETO~2-N1006 Contamination?? 7.9998 1144.8 2.7 scans 77% 156 m/z 2.1% 0.0160% 182 1.1 80 12419 0.0205% 123285 107840 157856 9-4 9: 156 75 55 157 54 61 76 158 74 0.984 7.96 2.6 99 98 96 99 156 42.9 28.758 0.043 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1192 Contamination 8.0787 1149.5 2.7 scans 59% 73 m/z 6.5% 0.00610% 189 1.7 52 4163 0.0150% 46992 45306 115504 2-1 7: 73 147 133 235 220 59 148 0.917 7.99 5.3 90 92 84 91 235 9.9 3.640 0.090 G:\GCMS data\Nicotiana Panel polar\QC6.FIN WTF2-N1026 Cadaverine NC 8.2113 1157.3 2.9 scans 33% 174 m/z (142) 10% 0.00233% 202 1.0 29 2715 0.00409% 17982 17962 31494 1-0 2: 174 175 0.854 7.74 28.1 82 88 65 91 216 7.6 6.697 0.475 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1188 Contamination 8.3923 1168.1 5.2 scans 84% 281 m/z 1.5% 0.0458% 219 2.0 102 17294 0.0600% 352980 343988 462017 0-2 19: 281 147 73 369 282 283 370 265 207 371 249 191 266 148 193 250 251 267 284 0.987 8.41 -1.3 99 98 84 99 369 29.3 8.204 -0.023 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1186 Phosphate 8.6122 1181.1 2.4 scans 69% 241 m/z 1.6% 0.0134% 240 1.0 79 16022 103787 102564 0-1 11: 241 242 211 163 133 243 195 135 256 98 169 0.932 8.56 3.1 97 97 90 98 299 0.0 0.000 0.051 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1184 Valine 9.2225 1217.1 5.3 scans 72% 144 m/z 1.7% 0.0258% 298 0.4 75 15150 0.0337% 199042 179933 259500 4-5 7: 144 73 218 145 100 146 59 0.961 9.19 2.1 97 97 90 97 218 23.2 9.489 0.034 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1180 Benzoic acid 9.7864 1250.1 3.4 scans 67% 179 m/z 6.5% 0.00877% 352 0.6 48 4165 67593 57561 1-14 5: 179 105 135 77 180 0.863 9.76 1.6 94 95 89 97 194 7.4 2.432 0.027 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1178 Ethanolamine 10.0158 1263.5 5.6 scans 86% TIC 1.0% 0.0540% 373 1.0 104 25390 1.41% 416049 386794 10857409 1-0 0.993 10.03 -1.0 98 97 96 98 262 10.9 1.116 -0.018 G:\GCMS data\Nicotiana Panel polar\QC6.FIN VEN77_S6-N1002 Glycerol 10.1221 1269.7 3.2 scans 93% 299 m/z 0.024% 1.41% 384 0.5 689 1130002 10889121 10584891 1-1 20: 299 300 73 314 301 211 133 283 315 207 193 191 316 135 225 74 115 181 284 75 0.988 10.09 1.7 100 98 95 100 299 409.3 35.475 0.028 G:\GCMS data\Nicotiana Panel polar\QC6.FIN A-AMYRIN-N1012 Contamination?? 10.2694 1278.3 2.7 scans 65% TIC 3.9% 0.00648% 398 0.8 51 6801 49895 40411 1-5 0.912 10.24 1.7 92 92 85 92 381 6.5 1.590 0.029 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1176 Isoleucine 10.4619 1289.6 3.1 scans 40% 158 m/z (130) 1.5% 0.0146% 416 0.7 66 16984 0.0242% 112502 103223 186347 3-0 5: 158 218 159 160 100 0.928 10.46 0.2 92 95 70 94 260 5.8 0.774 0.003 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1012 Proline 10.5503 1294.8 3.2 scans 93% 142 m/z 0.069% 0.379% 424 0.6 354 392101 1.76% 2919751 2912127 13552510 1-0 20: 142 73 143 216 147 144 72 74 59 75 217 66 148 133 100 101 244 70 68 218 0.994 10.53 1.0 100 98 99 100 216 64.6 3.336 0.017 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1014 Maleic acid 10.6271 1299.2 2.8 scans 94% TIC 0.093% 0.304% 432 0.9 351 289383 2.37% 2348512 2348512 18249687 0-0 0.998 10.60 1.4 99 98 98 99 245 80.1 5.212 0.025 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1170 Glycine 10.6850 1302.7 >4 scans 54% TIC 1.7% 0.0106% 437 1.0 85 15909 1.38% 82311 82311 10626400 0-0 0.968 10.69 -0.1 97 97 92 97 276 13.5 2.505 -0.002 G:\GCMS data\Nicotiana Panel polar\QC6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7776 1308.3 3.0 scans 94% TIC 0.021% 1.52% 446 0.8 714 1252865 11759095 11077972 1-1 0.975 10.76 1.2 99 98 98 100 251 164.1 5.309 0.020 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1168 Glyceric acid 11.0449 1324.4 2.5 scans 97% 73 m/z 0.058% 0.840% 471 0.7 586 463728 6468741 6196937 2-1 20: 73 147 292 189 133 103 205 293 117 102 190 148 75 307 74 294 149 59 191 101 0.999 11.05 -0.5 100 99 99 100 292 173.0 8.729 -0.009 G:\GCMS data\Nicotiana Panel polar\QC6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.1038 1327.9 2.8 scans 68% TIC 9.7% 0.00407% 477 1.0 47 2774 0.615% 31405 31405 4735678 0-0 0.963 11.06 2.4 93 94 83 94 285 14.3 9.186 0.041 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1018 Uracil 11.1627 1331.5 2.7 scans 63% TIC 9.9% 0.00403% 482 2.3 42 2736 0.0150% 31042 31042 115504 0-0 0.950 11.15 0.9 95 95 89 99 256 13.0 9.719 0.015 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1164 Itaconic acid 11.2385 1336.0 2.7 scans 80% TIC 2.3% 0.0157% 490 0.7 76 11623 0.0192% 121544 112933 147846 0-3 0.976 11.25 -0.9 86 82 85 94 259 14.2 3.467 -0.014 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1162 Fumaric acid 11.3826 1344.7 2.6 scans 96% 245 m/z 0.10% 0.302% 503 0.9 353 252153 2333021 2241913 1-1 20: 245 73 147 246 75 143 247 83 133 148 149 115 84 74 53 155 61 59 58 127 0.998 11.39 -0.6 100 99 99 100 245 193.3 29.992 -0.010 G:\GCMS data\Nicotiana Panel polar\QC6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4752 1350.3 3.7 scans 51% 57 m/z 1.6% 0.0226% 512 0.9 83 16190 0.0438% 174630 174325 337273 1-0 11: 57 97 145 115 127 56 129 69 111 59 71 0.987 11.45 1.8 86 83 88 93 145 24.6 8.819 0.029 G:\GCMS data\Nicotiana Panel polar\QC6.FIN WTF2-N1024 Contamination 10.96min 11.4963 1351.6 3.0 scans 66% 84 m/z (204) 0.59% 0.0582% 514 1.2 143 45367 448453 419004 2-2 17: 84 162 161 92 119 82 65 51 78 63 91 80 120 64 93 67 106 0.977 10.96 32.6 83 83 95 99 161 34.5 5.834 0.540 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1160 Serine 11.5236 1353.2 2.9 scans 84% TIC 0.21% 0.269% 517 0.5 293 127162 2073906 1937953 2-1 0.939 11.56 -2.0 99 99 93 99 306 30.1 1.057 -0.033 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1020 Serine 11.5247 1353.3 2.6 scans 89% 204 m/z 0.20% 0.216% 517 0.9 302 135763 1664954 1593000 2-1 20: 204 73 218 205 147 100 219 278 206 75 74 306 220 116 59 189 114 216 101 132 0.987 11.51 0.7 100 99 98 100 306 31.1 1.063 0.012 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1024 Threonine 11.9287 1377.6 2.6 scans 95% 73 m/z 0.43% 0.107% 555 1.1 213 62308 829293 822645 2-0 20: 73 218 219 117 291 101 292 147 220 57 74 100 128 75 293 133 203 221 59 132 0.999 11.92 0.5 100 99 99 100 320 18.3 0.738 0.008 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1148 Glutamine?? 13.3039 1463.2 2.8 scans 89% 155 m/z 0.49% 0.0669% 686 0.9 164 54936 0.0788% 515289 494415 606783 1-1 18: 155 73 147 156 139 229 59 100 157 74 84 148 257 230 103 113 56 72 0.979 13.35 -2.7 97 96 96 98 257 12.3 0.562 -0.043 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1146 Malic acid 13.5891 1481.1 4.7 scans 98% 73 m/z 0.012% 6.10% 713 0.3 1213 2121837 47022525 46993674 1-0 20: 73 147 233 189 133 190 148 75 191 175 234 74 55 149 101 246 59 117 131 171 0.999 13.62 -1.7 100 100 99 100 350 33.1 0.075 -0.028 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1144 Contamination Parabanica acid 13.7669 1492.3 2.9 scans 82% TIC 1.7% 0.0295% 730 1.1 118 15318 5.26% 227585 227585 40503525 0-0 0.978 13.81 -2.5 97 96 93 96 243 46.3 15.340 -0.039 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1028 Aspartic acid 14.0299 1509.3 2.4 scans 33% 232 m/z 0.34% 0.0639% 755 1.2 168 78432 492404 475253 1-1 16: 232 233 218 100 234 202 188 216 219 130 334 235 292 204 189 220 0.846 14.02 0.8 93 93 84 98 258 5.9 0.000 0.013 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1140 Aspartic acid 14.0299 1509.3 2.4 scans 37% 232 m/z (156) 0.34% 0.0733% 755 1.2 179 78440 564452 544791 1-1 16: 232 233 218 100 234 202 188 216 219 130 334 235 292 204 189 220 0.760 14.09 -3.8 93 96 60 96 349 11.1 0.385 -0.057 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1138 Pyroglutamic acid 14.0541 1511.0 3.3 scans 89% 156 m/z 0.096% 0.352% 757 0.7 342 280848 2717575 2514773 1-1 20: 156 73 157 147 230 258 158 259 72 58 140 148 59 231 121 55 112 86 66 260 0.981 14.11 -3.7 99 98 97 99 273 14.1 0.170 -0.056 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1032 GABA 14.1983 1520.5 2.6 scans 94% TIC 0.13% 0.282% 771 1.0 345 199777 0.352% 2172669 2056443 2710502 0-7 0.999 14.19 0.7 100 99 98 99 304 104.4 9.175 0.010 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3656 1531.6 5.0 scans 86% TIC 1.4% 0.0283% 787 1.3 105 18313 1.74% 218140 212653 13398504 0-3 0.985 14.62 -17.0 93 92 90 93 409 8.4 0.634 -0.255 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6286 1549.0 2.3 scans 98% 73 m/z 0.028% 1.56% 812 0.6 847 945991 12040205 11730903 1-1 20: 73 292 147 220 205 217 293 117 103 221 294 148 133 74 319 291 149 206 75 245 1.000 14.69 -4.2 100 99 99 99 409 63.9 0.572 -0.063 G:\GCMS data\Nicotiana Panel polar\QC6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7465 1556.9 2.8 scans 46% 174 m/z (267) 1.1% 0.0288% 823 1.0 105 23929 221903 206136 1-1 9: 174 175 86 176 250 100 130 251 158 0.952 14.16 38.6 89 95 92 99 250 19.6 3.455 0.581 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1126 Pyrazine 15.0748 1578.6 3.0 scans 65% TIC 3.1% 0.0144% 854 1.2 74 8674 111252 101190 1-1 0.816 15.13 -3.8 94 95 86 95 344 21.2 8.300 -0.057 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3799 1598.9 2.7 scans 73% 217 m/z 1.0% 0.0211% 883 1.1 108 25211 0.0893% 162823 162823 687636 0-0 14: 217 73 218 147 219 133 103 74 191 129 189 75 230 215 0.963 15.44 -4.1 92 90 89 94 393 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1036 Glutamic acic 15.5041 1607.4 2.5 scans 65% 246 m/z 4.1% 0.00704% 895 1.2 56 6558 54241 54241 0-1 6: 246 247 128 156 248 348 0.972 15.50 0.0 96 95 92 99 363 6.9 1.512 0.001 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1118 Phenylalanine 15.6082 1614.7 2.7 scans 66% 218 m/z (328) 1.1% 0.0452% 905 1.2 133 23921 348168 323356 1-1 10: 218 192 219 91 100 266 220 65 294 160 0.900 15.66 -3.5 89 90 84 95 294 9.0 0.453 -0.051 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1038 Xylose 15.8913 1634.3 6.1 scans 79% TIC 1.9% 0.0235% 932 1.3 90 14159 0.0359% 180973 175281 276440 1-0 0.985 15.89 0.1 91 88 88 98 307 22.4 6.204 0.001 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1040 Xylose 16.0070 1642.4 2.6 scans 83% 103 m/z 0.42% 0.0963% 943 1.0 204 63593 0.138% 741608 717205 1062640 2-1 20: 103 217 307 308 160 189 218 204 277 205 117 104 309 129 89 105 191 131 234 219 0.955 16.00 0.3 95 94 94 99 307 52.4 6.600 0.003 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1042 Ribose 16.1049 1649.2 2.6 scans 85% 73 m/z 0.86% 0.0481% 952 0.9 144 31500 0.312% 371027 342395 2402490 1-5 20: 73 103 307 217 147 308 277 189 160 218 104 133 89 74 309 117 205 105 219 75 0.991 16.10 0.2 96 93 96 99 307 40.2 7.844 0.002 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1108 Ribose 16.3206 1664.1 2.8 scans 91% TIC 0.42% 0.123% 973 0.6 210 63584 0.158% 949737 939485 1216646 2-0 0.992 16.38 -3.8 96 94 95 98 467 5.3 0.065 -0.054 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6152 1684.6 2.8 scans 81% TIC 1.5% 0.0324% 1001 1.5 118 17912 0.0706% 250023 250023 543640 0-0 0.991 16.68 -4.2 99 98 96 98 497 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9266 1706.5 2.9 scans 70% 217 m/z 2.6% 0.0205% 1030 1.3 91 10244 0.126% 158545 158545 970237 0-0 15: 217 103 307 319 205 218 320 204 129 308 189 243 191 148 206 0.956 16.99 -4.6 93 94 89 93 422 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9971 1711.7 3.4 scans 84% TIC 0.94% 0.0648% 1037 1.7 147 28891 0.347% 499454 499454 2672001 0-0 0.972 17.06 -4.8 95 95 92 95 510 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1096 Putrescine 17.1897 1725.7 2.8 scans 71% 174 m/z 0.35% 0.0635% 1055 1.1 156 77257 489577 478880 0-1 20: 174 175 214 176 172 86 200 59 100 130 173 146 215 362 142 114 99 126 116 187 0.991 17.25 -4.3 98 97 95 99 458 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1044 Putrescine 17.1897 1725.7 2.8 scans 83% 174 m/z (73) 0.35% 0.0748% 1055 1.1 169 77091 576221 563631 0-1 20: 174 175 214 176 172 86 200 59 100 130 173 146 215 362 142 114 99 126 116 187 0.997 17.19 0.1 97 98 98 99 376 12.0 0.505 0.002 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1094 cis-Aconitic acid 17.3086 1734.4 2.9 scans 65% 73 m/z 3.6% 0.00855% 1066 1.1 60 7371 65882 63533 0-1 7: 73 229 133 147 375 89 117 0.936 17.36 -3.9 81 81 81 83 436 3.5 0.337 -0.053 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3780 1739.5 2.8 scans 65% 292 m/z (345) 2.7% 0.0172% 1073 1.1 83 9711 0.0178% 132695 130956 137065 2-1 11: 292 333 103 307 217 334 293 294 335 319 308 0.967 17.44 -4.8 93 95 91 95 511 6.6 0.635 -0.065 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5674 1753.3 2.8 scans 93% 217 m/z 0.11% 0.298% 1091 1.1 345 233804 0.375% 2301093 2169953 2887609 5-1 20: 217 73 218 147 219 75 74 215 129 133 230 189 149 103 148 191 220 244 451 130 0.997 17.63 -4.7 97 96 96 98 450 39.4 1.303 -0.065 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7021 1763.1 2.8 scans 65% 334 m/z (217) 0.86% 0.0775% 1104 0.9 164 31343 597496 504917 2-10 13: 334 204 256 335 255 375 336 167 166 285 211 267 151 0.978 17.70 0.2 92 94 92 94 375 19.8 1.466 0.003 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1086 Fructofuranose 18.0662 1789.7 3.4 scans 23% 217 m/z 3.5% 0.00868% 1139 1.7 52 7603 0.0252% 66893 66893 194047 0-0 8: 217 437 438 316 439 218 392 257 0.897 18.13 -4.9 80 80 45 84 437 21.3 17.017 -0.068 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1046 Shikimic acid 18.1335 1794.6 3.9 scans 79% TIC 0.59% 0.0921% 1145 1.4 171 45770 0.463% 709928 709928 3565234 0-0 0.943 18.13 0.6 96 95 93 99 372 18.4 1.168 0.008 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1082 Citric acid 18.2514 1803.4 2.8 scans 91% TIC 0.18% 0.319% 1156 1.3 351 149712 0.500% 2459922 2423577 3850145 3-1 0.988 18.32 -5.3 99 97 97 99 465 52.9 2.269 -0.070 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1076 Pregnane?? 18.7953 1844.9 3.4 scans 98% 345 m/z 0.021% 2.79% 1208 0.9 938 1278505 21523338 21505430 0-1 20: 345 73 346 255 147 347 334 191 204 256 435 419 372 133 257 148 74 239 348 75 1.000 18.86 -4.8 100 100 99 100 537 71.4 0.583 -0.063 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1074 Adenine 18.8806 1851.4 3.0 scans 55% 264 m/z 1.2% 0.0179% 1216 1.4 82 22058 0.251% 137923 137923 1932773 0-0 8: 264 279 265 266 192 280 84 281 0.976 18.94 -4.5 96 96 89 96 415 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1072 Fructose 19.0037 1860.8 8.1 scans 100% 207 m/z 0.014% 12.1% 1228 0.8 1328 1883628 93355946 90895576 1-0 20: 207 256 203 350 220 260 302 177 319 305 366 376 569 332 118 200 71 275 331 88 0.999 19.03 -2.2 100 98 99 100 364 153.6 1.342 -0.029 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1050 Fructose 19.0237 1862.3 >3 scans 95% TIC 0.016% 4.10% 1230 1.1 1253 1655934 20.4% 31606905 31606905 157085913 0-0 1.000 18.98 3.3 100 99 99 99 364 147.9 1.398 0.044 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1052 Fructose 19.1468 1871.7 6.9 scans 100% 334 m/z 0.016% 8.89% 1241 0.5 1252 1627453 17.5% 68463336 67418937 134755073 1-1 20: 334 376 220 318 556 337 265 358 467 367 524 391 435 363 228 54 569 448 570 345 1.000 19.10 3.3 100 99 100 100 364 149.1 1.423 0.043 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1070 Fructose 19.1531 1872.2 6.9 scans 87% 73 m/z (334) 0.015% 8.40% 1242 0.2 1200 1765551 29.7% 64695953 62692214 228698609 1-7 20: 73 307 217 103 147 308 277 218 309 364 205 262 74 133 117 219 189 89 104 148 0.990 19.19 -3.1 89 91 94 91 554 56.1 0.219 -0.041 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1066 Glucose 19.3677 1888.5 9.0 scans 30% 319 m/z (73) 0.011% 5.51% 1262 0.2 834 2317995 42503463 41381823 2-1 20: 319 320 207 218 277 292 306 162 308 376 233 366 177 246 269 261 174 76 263 390 0.810 19.40 -2.4 81 87 43 86 319 586.2 49.820 -0.031 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1064 Mannose 19.3677 1888.5 9.0 scans 98% 319 m/z 0.011% 17.3% 1262 0.2 1492 2281507 133534675 130010777 2-1 20: 319 320 207 218 277 292 306 162 308 376 233 366 177 246 269 261 174 76 263 390 0.998 19.45 -6.7 100 99 99 100 319 581.5 15.242 -0.087 G:\GCMS data\Nicotiana Panel polar\QC6.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5203 1900.2 3.0 scans 37% 174 m/z 0.15% 0.131% 1277 1.0 218 173892 0.166% 1011392 1011392 1278248 0-0 18: 174 175 338 86 176 339 179 340 264 250 164 180 91 265 165 400 121 352 0.985 19.49 2.4 86 85 67 88 338 53.7 6.058 0.030 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1059 Glucose 19.5929 1906.0 3.1 scans 96% TIC 0.015% 5.33% 1284 0.3 1307 1782668 41049013 38749357 2-1 0.999 19.55 3.3 100 99 99 99 376 55.5 0.181 0.041 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1060 Lysine 19.6308 1909.1 >3 scans 39% 174 m/z (319) 3.2% 0.0219% 1287 1.7 86 8345 0.228% 168786 160049 1755666 0-2 13: 174 317 156 128 318 230 434 86 200 175 115 176 228 0.796 19.69 -5.0 88 90 83 94 479 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7318 1917.2 3.3 scans 62% 73 m/z 2.1% 0.0151% 1297 1.0 94 12391 0.0862% 116280 116280 663765 0-0 11: 73 205 147 117 103 206 307 89 59 74 245 0.951 19.79 -4.7 92 91 89 94 434 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\QC6.FIN N406_R~2-N1016 Galacturonic acid 19.7865 1921.6 2.6 scans 23% 333 m/z 4.6% 0.00441% 1302 1.2 44 5880 0.00877% 34022 34022 67532 0-0 4: 333 160 334 335 0.909 19.79 -0.5 94 95 90 95 423 6.2 1.979 -0.006 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1064 Tyrosine 19.8233 1924.5 3.1 scans 37% 218 m/z 2.1% 0.0210% 1306 1.1 84 12582 0.0227% 161755 146319 174797 2-1 8: 218 280 220 354 289 100 281 382 0.717 19.81 1.2 81 85 71 94 382 7.5 0.809 0.015 G:\GCMS data\Nicotiana Panel polar\QC6.FIN GUA35_L1-N1008 Glucopyranose 20.2916 1962.2 2.5 scans 81% 204 m/z 0.44% 0.100% 1350 1.2 211 61313 774254 770750 0-2 17: 204 191 205 206 192 129 193 149 345 231 291 203 190 361 243 169 101 0.907 20.41 -9.8 94 94 92 95 217 52.5 6.162 -0.122 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2947 1962.4 3.0 scans 63% 73 m/z (204) 0.43% 0.101% 1350 1.2 187 62554 780182 757530 0-1 20: 73 147 217 218 74 189 133 148 305 75 117 149 435 131 231 190 436 207 72 143 0.964 20.30 -0.1 92 94 89 93 433 17.4 0.868 -0.001 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1052 Gluconic acid 2 20.5167 1980.3 2.8 scans 83% TIC 0.93% 0.0530% 1371 1.0 151 28992 0.159% 408424 408424 1224346 0-0 0.984 20.60 -6.4 93 93 92 93 613 0.0 0.000 -0.080 G:\GCMS data\Nicotiana Panel polar\QC6.FIN WTF2-N1038 C16:0 21.1449 2032.2 2.9 scans 83% 313 m/z 3.0% 0.0243% 1431 1.3 93 8777 187681 165097 1-12 15: 313 117 75 132 129 314 145 55 57 131 315 328 74 69 118 0.965 20.62 43.9 86 91 90 95 328 9.7 1.096 0.528 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1042 myo-Inositol 21.7089 2079.6 5.8 scans 86% 305 m/z (508) 0.014% 10.5% 1485 0.3 1456 1860984 81046653 81021250 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 129 133 192 219 148 0.977 21.77 -5.5 94 94 96 98 318 413.5 8.084 -0.065 G:\GCMS data\Nicotiana Panel polar\QC6.FIN INOSIT~1-N1024 myo-Inositol 21.7089 2079.6 5.8 scans 97% 305 m/z 0.013% 11.8% 1485 0.3 1550 2072121 91607445 91578731 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 129 133 192 219 148 0.999 21.75 -3.3 100 99 99 99 507 116.8 0.570 -0.040 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8625 2092.5 3.1 scans 95% 73 m/z 0.18% 0.377% 1499 1.2 350 146362 2903890 2742117 2-1 20: 73 319 205 147 320 103 217 321 206 117 74 204 133 229 89 157 148 75 207 218 0.998 21.93 -5.6 97 94 97 99 656 7.3 0.043 -0.068 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1939 2121.1 2.4 scans 93% 396 m/z 0.23% 0.256% 1531 1.0 337 113538 0.305% 1978506 1804408 2348588 2-0 20: 396 73 219 397 319 381 398 191 220 307 147 205 382 320 293 103 249 75 74 217 0.999 22.19 0.6 92 88 86 99 396 127.7 14.392 0.008 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6622 2162.0 3.6 scans 88% 204 m/z 1.1% 0.0378% 1575 1.1 111 23778 0.0634% 291542 280237 488198 1-0 16: 204 73 205 147 249 217 206 361 131 117 145 191 74 75 129 218 0.994 22.71 -4.5 98 97 97 99 518 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\QC6.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.1577 2205.6 2.8 scans 87% 73 m/z 1.5% 0.0481% 1622 1.0 135 17886 0.0500% 370743 346535 385014 3-4 20: 73 169 143 231 211 75 81 156 170 183 147 121 107 117 181 141 69 93 79 157 0.993 23.28 -11.2 83 80 62 87 450 5.5 0.163 -0.123 G:\GCMS data\Nicotiana Panel polar\QC6.FIN WTF2-N1036 C18:0 23.3945 2227.2 3.4 scans 73% 341 m/z 6.8% 0.0142% 1645 2.3 61 3943 0.0177% 109354 95028 136295 1-2 9: 341 117 132 342 129 145 55 356 57 0.914 22.89 45.4 85 92 84 92 356 8.6 2.011 0.505 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1024 Glycerolgalactose 24.1184 2293.4 2.7 scans 93% 204 m/z 0.41% 0.0985% 1714 1.0 198 64731 758875 690111 1-3 20: 204 73 147 217 205 337 103 129 206 219 218 191 361 74 133 131 101 203 75 148 0.996 24.18 -5.7 97 96 97 96 581 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6466 2343.3 3.0 scans 93% 73 m/z 0.46% 0.175% 1764 0.5 228 58296 1352724 1267680 2-2 19: 73 147 331 217 191 307 205 262 421 103 319 305 332 259 422 333 306 376 218 0.998 24.65 -0.3 99 98 98 99 466 13.2 0.338 -0.003 G:\GCMS data\Nicotiana Panel polar\QC6.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7413 2352.3 2.8 scans 84% 73 m/z 2.0% 0.0282% 1773 1.2 110 13390 0.155% 217670 203996 1193545 2-0 20: 73 217 204 147 375 292 305 103 219 376 451 218 205 293 377 233 191 129 452 148 0.994 24.81 -6.1 92 91 90 91 451 13.3 1.449 -0.064 G:\GCMS data\Nicotiana Panel polar\QC6.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3501 2510.0 2.9 scans 89% 204 m/z 0.76% 0.0645% 1926 1.5 147 35617 0.169% 496701 438558 1301349 3-0 19: 204 73 495 205 147 217 496 206 273 259 130 131 117 133 74 129 363 148 115 0.998 26.35 0.0 93 92 93 93 495 27.7 3.544 0.000 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4374 2519.1 3.2 scans 77% TIC 1.5% 0.0366% 1934 0.9 125 16995 0.179% 282129 282129 1378352 0-0 0.981 26.52 -8.5 86 85 83 85 740 13.6 1.180 -0.084 G:\GCMS data\Nicotiana Panel polar\QC6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5290 2528.5 2.6 scans 60% 512 m/z (361) 2.3% 0.0266% 1943 0.9 105 11524 204829 200664 1-0 18: 512 455 247 513 456 57 514 483 457 349 497 248 263 484 179 235 249 423 0.956 26.57 -4.6 94 96 86 96 512 37.3 12.597 -0.044 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1020 Sucrose 27.3981 2618.9 7.8 scans 10% 437 m/z (361) 0.055% 1.37% 2025 1.6 450 490692 10597979 10208672 1-1 12: 437 439 452 453 348 441 467 442 466 120 302 469 0.567 27.46 -6.7 92 94 89 98 437 269.7 36.050 -0.063 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1014 Sucrose 27.3981 2618.9 7.8 scans 97% 437 m/z 0.0088% 12.9% 2025 1.6 1401 3073876 100052094 96376770 1-1 12: 437 439 452 453 348 441 467 442 466 120 302 469 0.996 27.49 -9.8 100 100 99 100 437 281.4 4.063 -0.092 G:\GCMS data\Nicotiana Panel polar\QC6.FIN TAB_REP6-N1070 Sucrose 27.4139 2620.6 7.7 scans 61% 361 m/z (73) 0.0090% 8.01% 2027 0.6 1160 3005767 9.25% 61695121 59521527 71227681 1-0 20: 361 362 363 331 205 332 291 305 450 365 321 345 170 259 155 104 333 193 347 206 0.957 27.41 0.5 86 85 80 96 451 36.5 0.000 0.004 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1018 Sucrose 27.4139 2620.6 7.7 scans 73% 361 m/z (217) 0.0084% 9.55% 2027 0.6 1267 3216953 11.0% 73565221 70973429 84703189 1-0 20: 361 362 363 331 205 332 291 305 450 365 321 345 170 259 155 104 333 193 347 206 0.979 27.47 -5.9 88 90 75 89 437 284.3 5.067 -0.056 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1010 Sucrose 27.4160 2620.8 7.8 scans 97% TIC 0.0084% 14.3% 2027 0.2 1460 3216953 110796733 110342808 1-0 0.998 27.58 -17.4 100 99 98 99 437 283.3 3.790 -0.163 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1008 Sucrose 27.4328 2622.6 7.6 scans 100% 73 m/z 0.0084% 13.6% 2029 0.2 1479 3198125 104993875 103777300 1-0 20: 73 103 129 169 191 74 75 148 133 117 149 157 143 131 130 104 171 69 101 81 0.998 27.59 -16.9 100 99 97 99 437 274.9 3.479 -0.158 G:\GCMS data\Nicotiana Panel polar\QC6.FIN LQC1-N1006 Trehalose 28.3661 2723.4 2.9 scans 65% 361 m/z 4.1% 0.00836% 2117 1.3 55 6504 0.0264% 64375 62141 203288 0-2 4: 361 362 191 363 0.981 28.47 -11.5 91 91 82 91 565 0.0 0.000 -0.102 G:\GCMS data\Nicotiana Panel polar\QC6.FIN GUA35_L1-N1020 Galactinol 30.6231 2981.6 2.9 scans 93% 204 m/z 1.0% 0.0356% 2332 1.0 116 25543 274538 256687 2-3 20: 204 73 205 217 191 147 206 361 129 103 305 230 218 433 293 221 319 74 148 318 0.999 30.55 9.2 83 82 92 83 641 0.0 0.000 0.078 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN EXBLK5S-N1006 Contamination 6.5909 1061.3 2.5 scans 74% 207 m/z 1.0% 0.0374% 48 1.7 109 24685 0.0624% 268761 189414 448018 14-6 15: 207 73 295 208 209 191 296 297 177 279 193 189 247 192 210 0.974 6.63 -2.0 98 98 94 98 295 33.8 9.696 -0.034 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.7592 1071.3 6.8 scans 42% 147 m/z 5.1% 0.00906% 64 1.3 54 5144 0.0200% 65067 51180 143595 0-5 4: 147 117 191 190 0.924 6.82 -3.6 89 89 83 96 295 2.8 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1194 Alanine 7.3779 1107.9 6.2 scans 37% TIC 10% 0.00228% 123 0.3 31 2498 0.0202% 16411 16411 145031 0-0 0.865 7.40 -1.6 81 83 74 85 283 3.2 0.000 -0.026 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN A-KETO~2-N1006 Contamination?? 7.8777 1137.6 2.6 scans 71% 156 m/z 3.3% 0.0102% 170 1.5 66 7920 0.0140% 73745 72082 100517 4-1 6: 156 75 55 157 54 61 0.971 7.96 -4.6 96 95 92 98 156 35.6 29.381 -0.079 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1192 Contamination 7.9609 1142.5 2.6 scans 87% 147 m/z 1.4% 0.0343% 178 1.2 124 17879 0.0461% 246827 231220 330988 3-0 20: 147 73 133 220 235 146 59 148 86 152 72 74 100 103 149 89 160 131 134 70 0.994 7.99 -1.7 99 99 98 99 235 24.3 3.859 -0.028 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1188 Contamination 8.3712 1166.8 3.8 scans 89% 281 m/z 0.96% 0.0656% 217 1.5 134 27516 0.0766% 471194 395943 549971 6-0 20: 281 147 369 73 282 283 370 265 249 371 148 284 207 191 266 149 251 74 250 205 0.999 8.41 -2.6 99 98 85 100 369 38.7 8.412 -0.044 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1190 Contamination 8.4354 1170.6 2.7 scans 72% 73 m/z 2.6% 0.0147% 223 1.5 79 10082 0.0321% 105582 105337 230471 0-1 15: 73 140 211 198 77 70 186 69 126 215 113 74 170 212 199 0.992 8.48 -2.9 93 93 91 94 309 8.5 1.149 -0.049 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1186 Phosphate 8.5259 1176.0 2.5 scans 86% 241 m/z 0.92% 0.0259% 232 1.1 107 28783 186352 180632 1-1 18: 241 242 211 133 256 163 195 135 98 89 59 181 119 134 121 164 212 91 0.992 8.56 -2.0 99 98 95 99 299 0.0 0.000 -0.035 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1184 Valine 9.1509 1212.9 2.9 scans 57% 144 m/z 7.3% 0.00312% 291 1.1 34 3605 22461 22461 1-0 3: 144 218 145 0.922 9.19 -2.1 87 86 78 92 218 11.7 11.552 -0.037 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1180 Benzoic acid 9.7212 1246.2 3.0 scans 78% 179 m/z 2.7% 0.0175% 345 1.6 74 9691 126241 114122 2-5 8: 179 105 135 77 194 180 181 136 0.962 9.76 -2.3 97 97 92 98 194 12.0 2.621 -0.038 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1178 Ethanolamine 9.9916 1262.1 3.1 scans 88% 174 m/z 0.87% 0.0403% 371 1.0 116 30271 0.278% 289383 245279 1995977 7-0 19: 174 73 175 100 147 86 176 59 133 130 262 114 74 87 117 172 188 101 148 0.993 10.03 -2.4 99 98 97 98 262 13.0 1.248 -0.042 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN VEN77_S6-N1002 Glycerol 10.0716 1266.7 2.7 scans 96% TIC 0.020% 1.37% 379 0.9 731 1283731 9872464 9447037 1-2 0.993 10.09 -1.3 100 99 97 100 299 453.2 38.692 -0.022 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LACTIC~1-N1034 Glycerol 10.0852 1267.5 3.6 scans 6.3% 205 m/z (299) 0.96% 0.0591% 380 1.0 129 27493 0.0665% 424401 397865 477455 0-3 6: 205 117 206 204 129 175 0.575 10.11 -1.5 88 97 58 94 293 10.8 0.702 -0.025 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2315 1276.1 2.6 scans 91% 73 m/z 0.64% 0.0496% 394 1.2 144 40975 356191 327177 1-3 19: 73 198 77 211 199 70 74 239 200 289 381 212 72 104 142 143 170 92 115 0.997 10.24 -0.5 99 98 97 98 381 15.8 1.204 -0.009 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1176 Isoleucine 10.4177 1287.0 2.9 scans 47% 158 m/z 8.4% 0.00305% 412 1.2 33 3129 21903 21903 1-0 2: 158 159 0.868 10.46 -2.4 86 88 76 91 260 0.0 0.000 -0.041 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1174 Proline 10.5040 1292.0 2.8 scans 80% 142 m/z (180) 1.4% 0.0166% 420 1.3 78 18438 0.0399% 119769 110572 286473 3-0 4: 142 143 216 144 0.976 10.55 -2.4 95 96 94 97 142 54.3 48.788 -0.041 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5998 1297.6 2.6 scans 97% 147 m/z 0.031% 0.886% 429 0.7 602 833428 6361469 6116509 1-2 20: 147 73 245 148 75 149 83 133 74 115 143 246 126 84 59 58 170 215 66 131 1.000 10.60 -0.2 99 97 98 99 245 140.3 5.450 -0.002 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1170 Glycine 10.6471 1300.4 3.5 scans 33% 174 m/z (147) 3.6% 0.00721% 433 1.4 50 7281 0.0382% 51806 51806 274267 0-0 7: 174 248 175 176 86 276 249 0.859 10.69 -2.4 86 90 67 89 276 9.6 3.674 -0.040 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7376 1305.9 2.9 scans 95% TIC 0.023% 1.38% 442 0.9 707 1134730 9923359 9069379 1-2 0.994 10.76 -1.2 99 97 96 99 251 172.6 5.983 -0.020 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1168 Glyceric acid 11.0080 1322.2 2.5 scans 96% 73 m/z 0.31% 0.155% 468 1.2 259 83354 1113007 1067686 1-3 20: 73 147 292 189 133 205 103 293 117 102 307 148 190 294 75 74 101 59 149 191 0.998 11.05 -2.7 100 99 99 100 292 78.7 9.228 -0.046 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0711 1326.0 2.5 scans 58% 184 m/z 13% 0.00348% 474 0.8 39 2039 0.00568% 25025 25025 40781 0-0 4: 184 285 134 174 0.967 11.06 0.5 91 93 73 93 285 13.4 11.891 0.008 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN TAB_REP6-N1018 Uracil 11.1322 1329.6 2.6 scans 59% 241 m/z 13% 0.00323% 479 1.6 35 1962 0.00334% 23213 22972 23980 0-1 5: 241 256 255 99 242 0.944 11.15 -1.0 94 95 94 99 256 12.5 12.693 -0.016 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1164 Itaconic acid 11.2090 1334.3 2.7 scans 89% 147 m/z 1.3% 0.0235% 487 1.2 99 20393 169076 162007 1-1 17: 147 73 259 148 215 75 149 133 97 230 260 67 74 68 229 141 98 0.995 11.25 -2.6 97 96 95 97 259 21.7 4.763 -0.043 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1162 Fumaric acid 11.3605 1343.4 2.7 scans 97% 245 m/z 0.065% 0.504% 501 0.9 448 407794 3620474 3506489 1-1 20: 245 147 73 246 75 143 247 83 148 133 115 149 84 74 53 155 59 61 58 157 1.000 11.39 -1.9 100 99 99 99 245 255.4 32.607 -0.033 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4520 1348.9 2.9 scans 29% 57 m/z (84) 1.5% 0.0282% 510 1.2 101 17525 0.0527% 203154 188443 378374 2-1 16: 57 145 97 115 55 127 56 69 111 129 128 109 98 71 146 87 0.901 11.45 0.4 85 84 89 98 145 27.6 7.462 0.006 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4605 1349.4 3.0 scans 72% 84 m/z (57) 0.49% 0.0734% 511 1.2 159 54019 527545 501371 1-4 20: 84 133 162 161 92 119 50 51 65 118 82 78 130 63 134 104 91 117 64 120 0.982 10.96 30.4 92 95 94 98 161 39.5 6.175 0.504 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN TAB_REP6-N1020 Serine 11.4962 1351.5 >3 scans 81% TIC 1.3% 0.0382% 514 2.0 122 19523 0.543% 274909 262387 3898617 0-1 0.996 11.51 -1.1 97 96 95 98 306 13.1 1.166 -0.017 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1160 Serine 11.4983 1351.7 2.6 scans 73% 204 m/z (84) 1.3% 0.0361% 514 1.2 116 19022 259516 229424 4-2 16: 204 218 73 205 100 188 219 206 306 220 74 116 189 279 114 148 0.971 11.56 -3.5 96 97 93 97 306 12.8 1.236 -0.059 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN BRA4_R~2-N1008 Thymine 11.5888 1357.1 2.9 scans 38% 255 m/z 14% 0.00129% 523 1.4 22 1841 9275 9275 0-0 3: 255 270 256 0.866 11.58 0.3 92 95 75 97 270 8.6 14.966 0.005 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7246 1365.3 2.9 scans 84% TIC 2.8% 0.0188% 536 1.1 85 9313 135504 124725 3-1 0.976 11.79 -3.6 88 86 88 93 262 9.6 1.288 -0.060 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN TAB_REP6-N1024 Threonine 11.9108 1376.5 2.7 scans 88% 73 m/z 1.7% 0.0322% 554 1.3 111 14990 231244 213206 1-2 20: 73 218 219 117 291 292 220 101 147 293 100 128 203 320 74 132 57 75 133 130 0.992 11.92 -0.6 99 98 96 98 320 11.4 1.060 -0.010 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2797 1461.6 3.1 scans 60% 247 m/z (155) 11% 0.00463% 684 0.9 40 2401 33244 33244 0-0 3: 247 248 259 0.959 13.31 -1.7 83 87 77 86 349 5.1 1.589 -0.026 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1146 Malic acid 13.6322 1483.8 8.3 scans 100% 73 m/z 0.0090% 14.9% 717 0.2 1482 2941273 107446384 107323156 1-0 20: 73 75 74 55 59 72 150 102 320 71 58 57 309 60 321 53 66 223 69 89 1.000 13.62 1.0 100 99 100 100 350 40.1 0.073 0.015 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1142 Erythritol/Threitol 13.7227 1489.5 2.9 scans 64% 217 m/z 3.5% 0.0147% 726 1.0 77 7537 6.17% 105850 100242 44299205 0-2 7: 217 205 147 103 189 117 116 0.959 13.89 -10.6 94 95 88 94 320 6.8 0.769 -0.167 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN TAB_REP6-N1028 Aspartic acid 14.0320 1509.5 2.4 scans 40% 232 m/z 1.2% 0.0166% 755 1.5 84 21029 119678 119525 0-1 10: 232 233 100 218 234 202 188 219 216 334 0.939 14.02 1.0 92 92 82 92 258 3.5 0.000 0.015 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0689 1511.9 2.9 scans 95% TIC 0.16% 0.224% 759 0.6 271 164099 1611929 1574137 1-1 0.995 14.11 -2.8 95 92 96 99 273 12.0 0.195 -0.041 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1134 GABA 14.1983 1520.5 3.5 scans 76% TIC 1.9% 0.0164% 771 1.1 88 13314 0.266% 118461 118461 1909820 0-0 0.986 14.24 -2.9 93 91 89 96 304 27.9 10.146 -0.044 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3435 1530.1 2.7 scans 19% 239 m/z 15% 0.00155% 785 0.9 25 1723 11146 11146 1-0 3: 239 342 240 0.924 14.37 -2.1 81 84 46 84 342 13.1 26.667 -0.031 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6128 1548.0 2.6 scans 96% 73 m/z 0.22% 0.221% 810 1.1 304 120358 1589885 1553763 1-1 20: 73 292 147 220 205 293 217 117 294 103 148 221 74 133 319 291 102 75 149 206 1.000 14.69 -5.2 100 99 98 99 409 23.6 0.605 -0.079 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3851 1599.2 2.7 scans 79% 217 m/z 0.72% 0.0291% 884 1.2 122 36525 0.0544% 209430 209430 390580 0-0 15: 217 73 218 219 147 215 230 189 305 74 133 59 243 131 333 0.976 15.44 -3.8 98 97 95 97 393 0.0 0.000 -0.055 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1120 Glutamic acid 15.5062 1607.6 2.4 scans 79% 246 m/z 2.4% 0.0133% 895 1.1 78 11039 95535 94513 0-1 12: 246 128 247 248 348 84 230 156 363 100 74 56 0.980 15.56 -3.7 94 94 88 94 363 9.2 1.397 -0.054 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1118 Phenylalanine 15.6114 1614.9 2.6 scans 52% 192 m/z 4.4% 0.00872% 905 1.1 59 5986 62656 62656 1-0 6: 192 218 219 220 266 100 0.837 15.66 -3.3 85 88 74 89 294 3.5 0.356 -0.048 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN TAB_REP6-N1038 Xylose 15.8934 1634.5 3.6 scans 73% TIC 2.9% 0.0196% 932 1.6 77 8930 141101 141101 0-0 0.924 15.89 0.3 92 91 90 97 307 17.7 5.364 0.003 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN TAB_REP6-N1040 Xylose 16.0102 1642.6 2.6 scans 91% 73 m/z 0.88% 0.0546% 943 1.1 152 29987 392160 375294 1-1 20: 73 103 217 307 147 308 160 189 277 218 133 309 74 117 204 205 191 89 148 105 0.991 16.00 0.5 97 95 96 98 307 43.1 8.025 0.006 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN TAB_REP6-N1042 Ribose 16.1080 1649.4 2.9 scans 78% 73 m/z 2.6% 0.0169% 952 0.8 83 9853 0.0868% 121454 121077 623204 1-0 16: 73 103 307 217 308 147 277 218 160 189 309 89 74 133 104 219 0.995 16.10 0.4 94 94 92 96 307 25.4 9.273 0.005 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.2301 1657.9 2.7 scans 42% 290 m/z 3.4% 0.00605% 964 2.0 47 7671 43439 42471 0-1 4: 290 291 292 158 0.925 16.28 -3.2 87 85 53 92 392 8.1 3.038 -0.046 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1110 Ribose 16.3227 1664.3 2.8 scans 43% 307 m/z 5.3% 0.00794% 973 0.8 55 4984 57013 55889 4-0 6: 307 103 258 308 277 160 0.868 16.38 -3.7 82 85 75 85 467 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6183 1684.8 2.7 scans 84% 73 m/z 2.1% 0.0243% 1001 1.2 104 12193 0.0404% 174723 173975 290063 1-0 20: 73 319 307 147 103 217 308 320 205 309 306 321 218 129 277 243 104 117 148 229 0.991 16.68 -4.0 98 98 95 98 497 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1104 Rhamnose 16.8793 1703.1 2.7 scans 60% 117 m/z 4.6% 0.00919% 1026 1.0 64 5661 0.0376% 65991 64673 269960 2-0 3: 117 160 277 0.917 16.93 -3.8 83 86 81 85 392 8.1 1.624 -0.053 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9329 1707.0 3.6 scans 76% TIC 2.2% 0.0241% 1031 1.5 102 11753 0.211% 173420 173420 1514932 0-0 0.980 16.99 -4.1 94 93 92 94 422 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0003 1711.9 3.1 scans 86% TIC 1.0% 0.0635% 1037 1.5 145 24948 0.238% 456541 456541 1708786 0-0 0.972 17.06 -4.6 96 96 92 95 510 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1096 Putrescine 17.1918 1725.9 2.8 scans 27% 174 m/z 8.2% 0.00208% 1055 1.2 28 3237 14987 14987 0-0 1: 174 0.988 17.25 -4.1 87 90 83 89 458 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1094 cis-Aconitic acid 17.3107 1734.6 2.8 scans 77% 73 m/z 2.6% 0.0168% 1067 1.0 82 9919 120972 105832 1-1 9: 73 147 375 211 376 133 230 75 74 0.976 17.36 -3.7 94 93 93 95 436 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5706 1753.5 2.9 scans 94% 217 m/z 0.18% 0.201% 1091 1.1 275 140845 0.283% 1445534 1379090 2031876 4-1 20: 217 73 218 147 219 74 75 133 244 103 129 215 189 257 148 149 169 220 243 143 0.999 17.63 -4.5 97 96 96 98 450 36.3 1.743 -0.061 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7052 1763.4 2.8 scans 55% 334 m/z (217) 1.4% 0.0584% 1104 1.1 146 18600 419925 376305 2-3 16: 334 204 256 335 255 375 336 167 267 285 166 211 151 241 300 376 0.976 17.70 0.5 92 95 90 94 375 20.4 1.943 0.006 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1086 Fructofuranose 18.0703 1790.0 3.0 scans 74% 217 m/z (145) 0.50% 0.124% 1139 1.2 208 53028 0.459% 890478 804787 3295516 1-2 15: 217 437 438 218 439 257 219 230 303 215 440 347 435 291 141 0.994 18.13 -4.6 93 93 94 96 437 61.2 8.694 -0.064 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1084 Shikimic acid 18.1409 1795.2 2.8 scans 17% 204 m/z 1.3% 0.0182% 1146 1.1 84 20033 0.0387% 131036 121974 277857 0-4 11: 204 255 357 372 254 331 462 282 256 359 358 0.445 18.20 -4.0 85 90 72 94 462 8.7 1.062 -0.056 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN TAB_REP6-N1046 Shikimic acid 18.1409 1795.2 2.8 scans 25% 204 m/z (191) 1.3% 0.0279% 1146 1.1 101 20019 0.0593% 200916 187021 425761 0-4 11: 204 255 357 372 254 331 462 282 256 359 358 0.949 18.13 1.2 83 84 71 92 372 12.5 1.536 0.016 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1082 Citric acid 18.2692 1804.7 2.5 scans 97% 273 m/z 0.041% 1.50% 1158 0.6 805 637554 10771688 10752467 1-0 20: 273 73 147 363 347 375 274 465 275 211 149 305 364 75 148 257 348 376 133 221 0.991 18.32 -4.0 98 97 97 99 465 128.7 2.567 -0.052 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5933 1829.5 5.1 scans 74% 217 m/z (345) 0.59% 0.171% 1189 1.0 191 44890 0.186% 1234913 1150192 1335438 1-1 9: 217 191 204 319 192 320 321 306 334 0.881 18.67 -5.8 92 94 94 96 319 32.9 2.971 -0.076 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1076 Pregnane?? 18.7869 1844.2 3.5 scans 94% 345 m/z 0.13% 0.473% 1207 1.3 381 192990 3399716 3329114 0-2 20: 345 73 346 255 147 347 334 256 204 419 435 191 372 133 74 239 148 75 257 348 0.997 18.86 -5.5 100 99 98 99 537 29.5 0.599 -0.071 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1074 Adenine 18.8848 1851.7 3.6 scans 18% 264 m/z 6.7% 0.00331% 1217 1.6 32 3953 0.0254% 23816 23816 182366 0-0 3: 264 279 265 0.964 18.94 -4.2 90 92 74 92 415 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1072 Fructose 18.9710 1858.3 6.8 scans 96% 73 m/z 0.031% 4.39% 1225 2.0 883 844409 7.62% 31550850 30487204 54709878 1-0 20: 73 307 217 103 147 308 277 218 133 309 364 74 189 205 117 104 219 89 148 75 1.000 19.03 -4.7 100 99 99 100 364 99.7 1.277 -0.062 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1070 Fructose 19.1362 1870.9 8.0 scans 81% 73 m/z (333) 0.047% 2.81% 1240 0.4 659 554782 18.3% 20237926 20237926 131389864 0-0 20: 73 217 307 103 147 308 218 309 74 364 89 262 219 104 148 204 129 131 59 278 0.975 19.19 -4.4 87 90 90 90 554 41.0 0.387 -0.058 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN TAB_REP6-N1052 Fructose 19.1362 1870.9 8.0 scans 88% 73 m/z 0.052% 2.83% 1240 0.4 686 507828 18.5% 20364013 20364013 132825819 0-0 20: 73 217 307 103 147 308 218 309 74 364 89 262 219 104 148 204 129 131 59 278 0.989 19.10 2.5 100 99 99 99 364 77.2 1.268 0.032 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1068 Galactopyranose 19.2362 1878.5 3.7 scans 75% 204 m/z 0.080% 0.506% 1250 1.1 426 331246 6.35% 3638866 3638866 45591565 0-0 12: 204 191 217 206 192 129 218 193 435 203 305 393 0.999 19.32 -6.0 99 98 96 99 435 33.4 0.618 -0.079 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1066 Glucose 19.3824 1889.7 10.7 scans 53% 206 m/z (73) 0.011% 12.0% 1264 0.1 1147 2359863 12.2% 86497438 85661104 87593243 1-1 10: 206 162 210 466 220 172 377 336 237 199 0.924 19.40 -1.2 91 93 67 94 319 614.5 28.855 -0.017 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1064 Mannose 19.3930 1890.5 10.7 scans 97% TIC 0.010% 21.9% 1265 0.1 1568 2469721 22.5% 157614279 157245113 161544915 0-1 0.998 19.45 -4.7 100 99 98 100 319 628.6 16.130 -0.062 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN TAB_REP6-N1056 Glucose 19.4024 1891.2 10.7 scans 70% 319 m/z 0.010% 2.76% 1266 2.1 1265 2478461 14.2% 19865194 19865194 101952791 0-0 20: 319 320 321 307 291 305 364 277 231 322 262 274 365 221 278 306 300 228 292 376 0.923 19.33 5.4 99 98 80 98 364 100.5 0.635 0.070 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN TAB_REP6-N1059 Glucose 19.5950 1906.2 3.5 scans 94% 73 m/z (317) 0.014% 5.98% 1284 0.4 1366 1896784 42969987 42895711 1-0 20: 73 319 205 147 160 320 103 217 321 206 133 117 74 229 129 157 148 89 189 207 0.998 19.55 3.5 98 99 99 99 376 58.0 0.181 0.043 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1062 Glucose 19.5950 1906.2 3.5 scans 98% 73 m/z 0.014% 6.16% 1284 0.4 1390 1868788 44273695 44197166 1-0 20: 73 319 205 147 160 320 103 217 321 206 133 117 74 229 129 157 148 89 189 207 0.995 19.66 -4.9 100 99 99 100 319 546.4 15.515 -0.061 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN BRA4_R~2-N1010 Tyrosine 19.8254 1924.7 3.1 scans 31% 218 m/z 4.4% 0.00691% 1306 1.0 52 6001 0.0104% 49641 47964 74670 2-0 3: 218 280 220 0.779 19.82 0.6 83 87 81 93 382 6.3 1.468 0.007 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1056 Ascorbic acid 19.9212 1932.4 3.1 scans 92% TIC 0.25% 0.224% 1315 0.9 291 103045 0.282% 1609219 1566505 2024696 2-1 0.996 19.99 -5.3 100 99 98 99 449 31.3 1.151 -0.065 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.3042 1963.2 2.5 scans 98% 204 m/z 0.033% 1.20% 1351 0.9 720 803849 8666662 8494983 0-1 20: 204 73 191 147 205 217 206 192 129 189 218 133 74 103 193 75 148 117 305 435 0.999 20.41 -8.8 100 99 99 99 217 156.1 4.722 -0.110 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1052 Gluconic acid 2 20.5220 1980.7 >4 scans 53% TIC 6.2% 0.00608% 1372 0.8 64 4235 0.0849% 43700 43700 609563 0-0 0.946 20.60 -6.0 83 84 78 84 613 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN WTF2-N1038 C16:0 21.1501 2032.6 2.9 scans 78% 313 m/z 3.2% 0.0213% 1432 1.3 86 8118 152947 145861 0-8 13: 313 117 129 132 75 314 145 55 57 328 131 69 315 0.929 20.62 44.3 84 88 87 94 328 9.0 1.113 0.533 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN INOSIT~1-N1022 myo-Inositol 21.7046 2079.2 6.8 scans 8.7% 507 m/z (73) 0.12% 1.20% 1484 0.2 451 215802 8644110 8491412 1-1 13: 507 508 435 295 510 420 522 511 408 397 272 615 186 0.420 21.74 -3.1 80 92 60 93 507 120.7 7.145 -0.036 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.7046 2079.2 6.8 scans 97% 507 m/z 0.014% 13.2% 1484 0.2 1508 1854356 95412662 93727195 1-1 13: 507 508 435 295 510 420 522 511 408 397 272 615 186 0.997 21.75 -3.7 100 100 99 100 507 120.7 0.642 -0.044 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1044 myo-Inositol 21.7141 2080.0 6.6 scans 13% 434 m/z (73) 0.045% 1.86% 1485 0.5 575 584643 13381685 13102796 1-1 20: 434 394 369 419 509 322 268 436 406 407 418 380 405 381 346 185 280 247 154 210 0.542 21.77 -4.4 82 94 43 88 612 44.6 0.604 -0.053 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1042 myo-Inositol 21.7183 2080.4 6.0 scans 81% 73 m/z (507) 0.014% 10.9% 1486 0.3 1489 1890094 78910153 78858078 1-0 20: 73 217 305 147 318 191 306 319 265 204 218 307 432 133 129 320 433 367 74 148 0.982 21.77 -4.7 96 98 98 98 318 346.0 5.410 -0.056 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8677 2092.9 3.0 scans 96% 319 m/z 0.17% 0.416% 1500 1.1 385 154160 2990024 2893229 1-1 20: 319 73 205 147 320 217 103 321 262 206 117 74 204 229 157 133 89 148 129 75 0.999 21.93 -5.2 97 94 97 99 656 9.6 0.062 -0.062 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1032 trans-Caffeic acid 22.1981 2121.5 2.5 scans 96% 396 m/z 0.22% 0.295% 1531 1.2 363 117480 0.418% 2124023 2124023 3001146 0-0 20: 396 73 219 319 397 205 381 147 320 398 103 191 217 220 307 321 74 133 382 75 1.000 22.25 -4.5 95 92 90 98 396 121.0 11.089 -0.052 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6716 2162.8 3.5 scans 83% 204 m/z 1.7% 0.0256% 1576 1.5 87 14950 0.0335% 184030 179460 240522 1-0 11: 204 73 205 249 217 206 361 131 218 117 74 0.983 22.71 -3.7 96 95 94 97 518 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN WTF2-N1036 C18:0 23.3966 2227.4 3.0 scans 88% TIC 4.1% 0.0155% 1645 1.2 76 6476 0.0271% 111990 107924 194572 0-3 0.990 22.89 45.6 87 93 87 93 356 11.1 2.137 0.508 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1028 Glycerolgalactose 24.1247 2293.9 2.8 scans 74% TIC 5.6% 0.00515% 1714 1.2 48 4740 0.0190% 37033 36552 136416 1-0 0.958 24.01 10.4 82 81 80 87 490 0.0 0.000 0.115 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6540 2344.0 3.1 scans 94% 73 m/z 0.73% 0.130% 1765 0.5 191 36304 934701 922541 1-1 20: 73 331 147 191 217 421 262 307 205 319 103 305 332 259 422 333 192 218 376 117 0.998 24.65 0.4 99 98 97 99 466 10.8 0.324 0.004 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7465 2352.8 2.7 scans 90% 73 m/z 1.8% 0.0385% 1773 1.1 124 14705 0.125% 276959 270679 897472 1-1 20: 73 217 204 147 375 292 305 103 219 218 205 451 293 275 233 143 129 333 206 74 0.992 24.81 -5.6 94 94 92 93 451 14.9 1.441 -0.058 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4458 2519.9 2.8 scans 97% 73 m/z 0.37% 0.183% 1935 1.0 268 70764 0.203% 1315396 1257466 1457494 1-3 20: 73 204 217 147 218 129 205 175 305 74 741 131 191 117 273 206 232 742 103 130 0.998 26.52 -7.7 97 96 95 96 740 35.5 1.752 -0.075 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5332 2528.9 2.9 scans 85% TIC 2.3% 0.0334% 1943 1.2 116 11296 0.198% 240111 237493 1421595 1-0 0.970 26.57 -4.2 97 97 91 97 512 41.6 12.878 -0.040 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN WTF2-N1028 C16:0-glycerol 26.9014 2567.0 3.0 scans 62% 371 m/z 4.4% 0.00904% 1978 1.1 58 5955 64911 62913 0-2 10: 371 372 57 373 459 239 203 55 71 101 0.994 26.39 52.4 83 91 77 91 459 9.5 2.706 0.507 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1020 Sucrose 27.4118 2620.4 7.4 scans 10% 437 m/z (361) 0.047% 1.49% 2027 1.0 485 555275 10718241 10709480 1-0 19: 437 438 204 453 440 307 332 306 454 435 425 335 277 334 260 343 310 467 295 0.833 27.46 -5.2 93 95 90 98 437 298.1 37.937 -0.049 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1010 Sucrose 27.4118 2620.4 7.4 scans 99% 437 m/z 0.0082% 14.5% 2027 1.0 1514 3223412 104125239 104040128 1-0 19: 437 438 204 453 440 307 332 306 454 435 425 335 277 334 260 343 310 467 295 0.998 27.58 -17.8 100 99 98 99 437 298.1 3.907 -0.167 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1014 Sucrose 27.4275 2622.0 >6 scans 94% 271 m/z 0.0082% 11.4% 2028 0.3 1484 3223412 13.8% 82324982 80641483 99080881 1-0 18: 271 218 331 191 205 257 272 450 233 317 220 274 255 348 248 373 433 355 1.000 27.49 -6.7 100 99 99 99 437 298.1 4.068 -0.062 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1018 Sucrose 27.4412 2623.5 7.2 scans 57% 361 m/z (205) 0.0081% 8.60% 2030 0.2 1182 3261937 61803559 61016634 1-0 20: 361 73 217 362 147 363 271 103 169 129 243 218 319 191 219 189 74 331 204 230 0.914 27.47 -3.0 85 87 66 87 437 288.7 6.008 -0.029 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1008 Sucrose 27.4412 2623.5 7.2 scans 96% 361 m/z 0.0081% 14.3% 2030 0.2 1531 3261937 102675828 101368489 1-0 20: 361 73 217 362 147 363 271 103 169 129 243 218 319 191 219 189 74 331 204 230 1.000 27.59 -16.0 100 99 98 99 437 288.7 3.584 -0.150 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1016 Sucrose 27.4412 2623.5 7.2 scans 52% 361 m/z (364) 0.016% 7.78% 2030 0.2 1124 1600342 55908368 55196505 1-0 20: 361 73 217 362 147 363 271 103 169 129 243 218 319 191 219 189 74 331 204 230 0.983 27.48 -3.8 88 90 94 93 437 16.9 0.000 -0.036 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN LQC1-N1006 Trehalose 28.3714 2724.0 2.8 scans 87% 361 m/z 1.3% 0.0310% 2118 0.9 109 19113 0.0686% 223092 214866 492532 0-1 19: 361 362 73 191 363 217 147 169 103 243 271 331 218 129 192 364 229 148 131 0.998 28.47 -10.9 96 95 90 97 565 0.0 0.000 -0.097 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN GUA35_L1-N1020 Galactinol 30.4779 2964.4 3.1 scans 83% 204 m/z 2.7% 0.0240% 2318 0.8 89 9802 172394 159382 3-3 17: 204 217 205 191 147 305 103 433 129 361 206 641 218 343 192 291 243 0.883 30.55 -8.0 90 90 89 93 641 9.9 1.219 -0.067 G:\GCMS data\Nicotiana Panel polar\RUST_REP1.FIN GUA35_L1-N1026 Disaccharide 31.7min RI3107 31.7110 3110.8 6.2 scans 67% 204 m/z 9.2% 0.00791% 2435 2.7 38 2887 0.00856% 56815 52918 61459 1-1 3: 204 205 217 0.955 31.68 4.2 82 85 74 84 597 8.3 4.748 0.036 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN EXBLK5S-N1006 Contamination 6.5877 1061.1 3.0 scans 72% 207 m/z 1.1% 0.0296% 48 1.8 95 23539 0.0617% 270098 207579 561852 9-4 12: 207 295 73 208 191 296 297 279 189 74 177 247 0.970 6.63 -2.2 98 98 94 98 295 29.8 9.746 -0.037 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN BRA4_R~4-N1014 Lactic acid 6.7571 1071.1 7.7 scans 20% 117 m/z 11% 0.00447% 64 0.3 30 2456 0.00757% 40752 40752 68934 0-0 1: 117 0.613 6.82 -3.8 91 98 70 96 295 2.6 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1194 Alanine 7.3832 1108.3 5.8 scans 43% 116 m/z 7.1% 0.00485% 123 0.4 33 3895 0.00693% 44185 44185 63106 0-0 1: 116 0.935 7.40 -1.2 85 86 76 87 283 0.0 0.000 -0.021 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN A-KETO~2-N1006 Contamination?? 7.8798 1137.7 2.9 scans 70% 156 m/z 3.1% 0.00932% 170 1.4 62 8902 0.0116% 84928 80997 105632 1-1 7: 156 75 55 157 54 61 76 0.957 7.96 -4.5 97 98 93 98 156 34.6 31.553 -0.077 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1192 Contamination 7.9619 1142.6 2.6 scans 87% 73 m/z 1.6% 0.0260% 178 1.3 109 16619 0.0339% 237395 227141 308700 2-0 20: 73 147 133 235 220 148 152 72 59 146 100 160 86 103 89 74 149 134 70 167 0.993 7.99 -1.6 99 99 98 99 235 20.9 3.671 -0.027 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1188 Contamination 8.3691 1166.7 3.8 scans 89% 281 m/z 1.5% 0.0297% 217 1.3 99 18389 0.0415% 271286 270359 377907 3-0 15: 281 369 147 73 283 265 370 249 148 266 191 284 193 267 250 0.991 8.41 -2.7 99 98 86 99 369 29.6 9.023 -0.046 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1190 Contamination 8.4344 1170.6 2.7 scans 75% 73 m/z 2.4% 0.0132% 223 1.2 76 11252 0.0224% 120621 113871 203979 0-3 16: 73 211 140 198 77 69 70 186 170 126 113 78 74 212 199 92 0.983 8.48 -2.9 94 93 91 94 309 7.3 0.925 -0.050 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1186 Phosphate 8.5269 1176.0 2.5 scans 83% 241 m/z 1.2% 0.0161% 232 1.1 88 23062 147028 143558 1-1 13: 241 242 211 133 163 256 243 135 195 89 212 137 181 0.988 8.56 -2.0 99 98 95 99 299 0.0 0.000 -0.034 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1184 Valine 9.1541 1213.1 3.1 scans 64% 144 m/z 4.8% 0.00488% 291 1.0 42 5724 0.00758% 44483 38077 69025 4-2 4: 144 218 73 145 0.946 9.19 -1.9 92 91 85 95 218 14.0 11.171 -0.034 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1180 Benzoic acid 9.7201 1246.2 3.0 scans 67% 179 m/z 4.3% 0.00803% 345 1.6 53 6408 0.00884% 73140 67763 80499 1-0 7: 179 105 135 77 180 194 136 0.951 9.76 -2.3 96 96 90 96 194 8.5 2.600 -0.039 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1178 Ethanolamine 9.9916 1262.1 3.2 scans 84% 174 m/z 1.3% 0.0177% 371 1.0 87 20532 0.197% 161324 160852 1793919 1-0 13: 174 73 175 100 176 86 147 59 262 133 130 131 74 0.985 10.03 -2.4 98 97 96 98 262 10.6 1.505 -0.042 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN VEN77_S6-N1002 Glycerol 10.0716 1266.7 2.7 scans 94% TIC 0.023% 1.01% 379 0.9 640 1173677 9254173 8774540 1-3 0.985 10.09 -1.3 100 100 99 100 299 397.0 38.734 -0.022 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LACTIC~1-N1034 Glycerol 10.0852 1267.5 3.6 scans 7.8% 205 m/z (299) 0.98% 0.0481% 380 0.9 122 28208 0.0512% 438544 420838 466237 1-3 9: 205 117 206 204 175 129 219 217 220 0.602 10.11 -1.5 90 97 60 95 293 9.0 0.549 -0.025 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN A-AMYRIN-N1012 Contamination?? 10.2315 1276.1 2.6 scans 92% 73 m/z 0.63% 0.0399% 394 1.3 132 43731 364226 346894 1-3 19: 73 198 77 211 199 70 74 239 381 289 212 72 200 170 143 142 63 92 76 0.993 10.24 -0.5 99 98 97 99 381 14.7 1.240 -0.009 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1176 Isoleucine 10.4167 1286.9 3.0 scans 62% 158 m/z 4.1% 0.00617% 412 1.2 48 6808 0.00678% 56209 52632 61740 0-1 5: 158 218 159 232 117 0.954 10.46 -2.5 94 94 87 96 260 2.9 0.370 -0.042 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1174 Proline 10.5040 1292.0 2.9 scans 82% 142 m/z (180) 1.1% 0.0158% 420 1.2 81 24381 0.142% 144337 144112 1293079 1-0 6: 142 73 143 216 144 72 0.982 10.55 -2.4 96 98 96 98 142 57.2 50.358 -0.041 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5945 1297.3 2.9 scans 98% TIC 0.052% 0.514% 428 0.8 444 532297 1.84% 4680693 4626397 16755387 0-5 0.997 10.60 -0.5 99 98 98 99 245 102.9 5.378 -0.007 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1170 Glycine 10.6461 1300.4 3.2 scans 31% 174 m/z (147) 4.6% 0.00438% 433 1.0 41 5985 0.0339% 39901 39901 308700 0-0 7: 174 248 175 86 276 249 176 0.847 10.69 -2.4 85 89 65 88 276 8.9 4.726 -0.041 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.7418 1306.1 3.3 scans 96% TIC 0.023% 1.28% 442 0.8 655 1172971 11719904 11376418 1-3 0.992 10.76 -1.0 99 97 96 99 251 156.3 5.710 -0.016 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1168 Glyceric acid 11.0091 1322.2 2.5 scans 96% 73 m/z 0.24% 0.164% 468 1.1 275 114406 1501606 1435989 1-3 20: 73 147 292 189 133 103 205 293 102 117 190 148 75 307 294 74 149 59 191 101 0.998 11.05 -2.7 100 100 99 100 292 83.1 9.133 -0.045 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0606 1325.3 >3 scans 54% TIC 10% 0.00420% 473 2.1 44 2613 0.109% 38266 37573 992575 0-1 0.970 11.06 -0.2 94 96 85 96 285 13.9 10.168 -0.002 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN TAB_REP6-N1018 Uracil 11.1301 1329.5 2.9 scans 56% 241 m/z 11% 0.00311% 479 1.5 35 2388 28317 25877 1-1 5: 241 255 256 242 183 0.952 11.15 -1.1 95 96 95 99 256 12.1 12.029 -0.018 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1164 Itaconic acid 11.2090 1334.3 2.7 scans 80% TIC 2.4% 0.0113% 487 0.8 66 11330 0.0139% 103520 86365 126576 0-3 0.966 11.25 -2.6 92 91 89 93 259 14.0 4.468 -0.043 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1162 Fumaric acid 11.3595 1343.3 2.6 scans 96% 245 m/z 0.071% 0.368% 501 1.1 406 392864 3352597 3184665 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 74 155 53 84 59 61 157 58 0.999 11.39 -2.0 100 99 99 99 245 229.7 32.039 -0.034 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4520 1348.9 3.0 scans 12% 57 m/z (84) 1.5% 0.0220% 510 1.3 90 18153 0.0368% 200503 181209 335108 2-2 10: 57 97 115 145 127 69 129 111 109 71 0.874 11.45 0.4 88 90 86 98 145 26.4 8.692 0.006 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4626 1349.5 3.2 scans 89% TIC 0.16% 0.220% 511 1.5 269 174135 0.561% 2007938 1905490 5108572 1-2 0.932 10.96 30.5 96 98 97 99 161 66.0 6.006 0.507 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1160 Serine 11.4973 1351.6 2.7 scans 61% 204 m/z (84) 1.2% 0.0319% 514 1.3 112 21820 291230 263736 3-2 15: 204 73 218 205 100 219 206 188 220 306 148 189 216 114 279 0.965 11.56 -3.6 96 98 93 98 306 11.6 1.069 -0.060 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN BRA4_R~2-N1008 Thymine 11.5878 1357.1 2.6 scans 47% 255 m/z 10% 0.00163% 523 1.5 26 2719 14885 14885 0-1 3: 255 270 256 0.950 11.58 0.3 97 99 94 99 270 9.7 13.689 0.004 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7225 1365.2 2.9 scans 81% 147 m/z 2.0% 0.0224% 536 1.2 91 13371 0.0230% 204484 185062 209442 7-2 18: 147 73 247 59 101 148 116 87 103 75 66 102 131 262 74 133 129 132 0.952 11.79 -3.7 92 92 91 95 262 9.9 1.164 -0.063 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN TAB_REP6-N1024 Threonine 11.9098 1376.4 2.8 scans 88% 73 m/z 1.6% 0.0292% 553 1.5 105 16807 266591 246171 1-12 19: 73 219 218 291 117 292 220 101 57 203 147 100 128 293 320 74 130 133 132 0.986 11.92 -0.7 98 98 96 98 320 10.4 0.981 -0.011 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2755 1461.4 >3 scans 69% TIC 8.3% 0.00480% 683 1.6 50 3327 0.0437% 43731 43731 397940 0-0 0.958 13.31 -1.9 89 90 82 89 349 7.0 1.997 -0.030 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1148 Glutamine?? 13.3039 1463.2 2.7 scans 59% 155 m/z (247) 4.4% 0.00527% 686 1.0 47 6311 0.00553% 48047 48047 50357 0-0 2: 155 139 0.936 13.35 -2.7 84 85 83 93 257 0.0 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1146 Malic acid 13.6164 1482.8 6.3 scans 98% 73 m/z 0.0096% 9.33% 716 0.2 1352 2884538 85031694 82270148 1-1 20: 73 147 233 245 133 189 190 148 75 175 191 74 149 55 101 335 234 217 265 307 0.999 13.62 0.0 100 99 99 100 350 35.9 0.071 -0.001 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1142 Erythritol/Threitol 13.7185 1489.3 2.8 scans 78% 217 m/z 1.8% 0.0194% 725 1.1 93 15441 4.98% 177085 176861 45348818 0-1 15: 217 147 205 103 117 307 204 189 218 191 148 293 219 149 206 0.862 13.89 -10.8 92 90 91 95 320 9.1 0.970 -0.172 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN TAB_REP6-N1028 Aspartic acid 14.0289 1509.3 2.5 scans 29% 232 m/z 1.0% 0.0175% 755 1.3 89 27338 159711 156583 0-1 9: 232 233 218 234 202 188 216 334 221 0.936 14.02 0.8 91 92 83 93 258 4.6 0.000 0.012 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1138 Pyroglutamic acid 14.0594 1511.3 2.9 scans 92% 156 m/z 0.12% 0.203% 758 0.7 279 214763 1856839 1768600 1-1 20: 156 73 147 157 258 230 158 75 74 259 231 140 72 148 133 59 58 121 86 149 0.979 14.11 -3.4 99 97 97 99 273 11.6 0.173 -0.051 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1134 GABA 14.1951 1520.3 2.7 scans 81% 174 m/z (226) 0.73% 0.0477% 771 1.1 140 37937 434537 418462 1-1 11: 174 304 175 305 86 216 306 100 130 172 68 0.990 14.24 -3.1 95 95 95 98 304 44.3 10.089 -0.047 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN TAB_REP6-N1032 GABA 14.1951 1520.3 2.7 scans 79% 174 m/z 0.73% 0.0453% 771 1.1 138 37976 413132 397849 1-1 11: 174 304 175 305 86 216 306 100 130 172 68 0.983 14.19 0.5 97 97 94 97 304 44.5 10.440 0.007 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3393 1529.9 2.8 scans 23% 239 m/z 12% 0.00175% 784 1.1 27 2236 15975 15975 0-1 3: 239 342 240 0.855 14.37 -2.3 84 85 49 88 342 13.4 24.019 -0.035 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3645 1531.5 3.4 scans 83% TIC 2.5% 0.0206% 787 0.9 81 11143 0.340% 188461 178625 3096104 0-2 0.973 14.62 -17.1 93 92 87 94 409 6.6 0.655 -0.256 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6129 1548.0 2.7 scans 97% 73 m/z 0.17% 0.254% 810 1.1 323 159259 2316106 2229361 1-1 20: 73 292 147 220 205 293 217 117 103 294 148 221 133 74 319 291 149 206 102 75 0.999 14.69 -5.2 100 99 99 99 409 24.6 0.577 -0.079 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3873 1599.4 2.9 scans 80% 217 m/z 0.48% 0.0395% 884 1.1 144 57515 0.0707% 359818 359818 643808 0-0 18: 217 73 218 147 219 103 230 215 189 133 74 129 220 333 305 117 149 148 0.982 15.44 -3.6 98 97 97 98 393 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1120 Glutamic acid 15.5041 1607.4 2.4 scans 81% 246 m/z 1.9% 0.0130% 895 1.0 80 14226 118619 117988 0-1 11: 246 128 247 248 156 348 230 363 84 100 56 0.986 15.56 -3.9 96 96 90 96 363 8.8 1.211 -0.056 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1118 Phenylalanine 15.6103 1614.8 >3 scans 81% TIC 2.5% 0.0160% 905 0.7 83 10837 0.0420% 146310 130656 382460 2-0 0.955 15.66 -3.4 95 95 92 97 294 6.4 0.591 -0.049 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN TAB_REP6-N1038 Xylose 15.8944 1634.5 3.4 scans 76% 73 m/z 1.9% 0.0252% 932 1.5 91 14408 0.0446% 230366 222867 406136 1-1 14: 73 217 103 307 308 147 218 160 277 189 309 74 129 104 0.933 15.89 0.3 93 91 91 98 307 22.0 5.887 0.004 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN TAB_REP6-N1040 Xylose 16.0112 1642.7 2.9 scans 92% 73 m/z 0.58% 0.0792% 943 1.2 178 48062 0.114% 721565 678598 1038105 1-2 20: 73 103 307 217 147 308 189 160 218 277 104 74 204 309 133 205 105 89 117 75 0.994 16.00 0.6 96 94 96 99 307 50.5 8.060 0.007 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN TAB_REP6-N1042 Ribose 16.1101 1649.5 2.9 scans 80% 73 m/z 1.5% 0.0284% 953 1.0 106 17822 0.122% 259468 226158 1110955 0-3 20: 73 103 307 217 147 189 277 218 104 160 133 74 117 309 205 148 89 219 233 204 0.981 16.10 0.5 95 94 94 98 307 32.0 9.080 0.007 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.2311 1657.9 2.9 scans 31% 290 m/z 3.7% 0.00514% 964 1.8 43 7536 0.00558% 46816 46816 50813 0-0 6: 290 291 292 392 158 332 0.690 16.28 -3.2 82 78 53 94 392 8.3 3.733 -0.045 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1110 Ribose 16.3248 1664.4 2.5 scans 35% 307 m/z 6.5% 0.00551% 973 1.1 50 4263 50188 50188 1-0 4: 307 308 160 277 0.876 16.38 -3.6 81 84 68 85 467 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6183 1684.8 3.0 scans 84% 73 m/z 1.6% 0.0298% 1001 1.5 112 17280 0.0433% 271744 269286 394298 1-0 20: 73 319 307 217 147 103 320 308 205 306 321 129 309 189 229 148 117 74 157 104 0.989 16.68 -4.0 99 98 96 98 497 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1104 Rhamnose 16.8803 1703.2 3.2 scans 71% TIC 3.1% 0.0107% 1026 0.9 74 8767 0.0943% 97614 97614 858714 0-0 0.991 16.93 -3.7 86 85 87 87 392 7.9 1.145 -0.052 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9382 1707.4 4.2 scans 71% TIC 1.8% 0.0258% 1031 1.6 103 15024 0.196% 235398 235398 1784813 0-0 0.972 16.99 -3.7 94 94 92 94 422 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0045 1712.2 3.9 scans 84% TIC 1.0% 0.0609% 1038 1.6 140 26002 0.233% 554775 554775 2121742 0-0 0.979 17.06 -4.3 91 90 88 90 510 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1096 Putrescine 17.1939 1726.1 3.0 scans 29% 174 m/z 3.1% 0.00533% 1056 1.2 45 8967 48579 47920 0-1 5: 174 214 175 176 86 0.983 17.25 -3.9 90 91 87 92 458 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1094 cis-Aconitic acid 17.3107 1734.6 3.6 scans 59% 73 m/z 4.6% 0.00768% 1067 1.2 55 6003 70021 70021 0-0 7: 73 147 229 375 285 211 133 0.885 17.36 -3.7 84 83 82 91 436 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3896 1740.3 >5 scans 53% TIC 5.7% 0.00716% 1074 1.3 60 4887 0.0503% 65214 65214 458041 0-0 0.940 17.44 -4.0 91 92 84 92 511 4.4 0.551 -0.053 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5758 1753.9 2.9 scans 96% 217 m/z 0.058% 0.522% 1092 1.0 459 480919 4757351 4595315 2-1 20: 217 73 218 147 219 75 450 74 133 189 230 215 129 103 244 191 216 148 149 231 1.000 17.63 -4.1 94 92 95 96 450 45.0 0.962 -0.056 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7116 1763.8 3.1 scans 50% 334 m/z (217) 2.0% 0.0433% 1105 1.2 120 13640 394728 348497 3-1 13: 334 204 256 335 336 255 375 167 211 166 151 376 241 0.969 17.70 0.9 89 91 87 94 375 15.6 1.704 0.013 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1086 Fructofuranose 18.0735 1790.3 4.5 scans 38% 217 m/z (145) 1.3% 0.0526% 1139 1.6 116 20744 0.181% 479860 479435 1648220 1-0 12: 217 437 438 439 218 257 229 230 347 303 215 392 0.949 18.13 -4.3 85 87 81 89 437 35.3 9.294 -0.060 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1084 Shikimic acid 18.1430 1795.3 3.4 scans 13% 204 m/z 0.68% 0.0321% 1146 0.7 101 40520 0.0402% 293200 274206 366069 3-3 14: 204 255 357 372 254 462 282 358 195 267 447 181 239 374 0.268 18.20 -3.9 84 92 76 93 462 11.5 1.287 -0.054 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1082 Citric acid 18.2608 1804.1 2.8 scans 94% 273 m/z 0.11% 0.493% 1157 1.0 454 234198 0.680% 4491799 4348017 6192208 1-1 20: 273 73 147 363 375 347 274 465 75 275 149 211 148 364 305 376 348 133 466 221 0.995 18.32 -4.6 99 97 97 99 465 70.7 2.427 -0.060 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1076 Pregnane?? 18.7943 1844.8 5.0 scans 94% 345 m/z 0.12% 0.605% 1208 1.5 379 226962 5513361 5404405 1-1 20: 345 73 346 255 147 347 334 191 204 419 435 372 133 74 148 239 348 75 215 149 1.000 18.86 -4.9 100 99 99 100 537 29.3 0.596 -0.064 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1072 Fructose 18.9763 1858.7 10.0 scans 96% 73 m/z 0.030% 5.68% 1225 2.7 866 915634 9.74% 51763846 50223717 88694274 1-0 20: 73 217 307 103 147 308 277 218 364 133 309 189 117 74 205 104 89 148 191 219 1.000 19.03 -4.3 100 98 99 100 364 100.0 1.340 -0.057 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN TAB_REP6-N1052 Fructose 19.1573 1872.5 >8 scans 77% 73 m/z 0.065% 1.77% 1242 3.0 586 429089 7.74% 16149333 16149333 70481898 0-0 16: 73 307 308 262 434 309 133 310 318 390 74 303 221 374 222 231 0.999 19.10 4.1 95 94 95 95 364 71.1 1.474 0.053 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN TAB_REP6-N1056 Glucose 19.3467 1886.9 18.0 scans 77% 116 m/z 0.013% 6.58% 1260 0.3 1232 2122525 20.2% 60004094 60004094 183945004 0-0 20: 116 364 305 278 293 374 263 233 306 247 333 275 268 337 192 376 343 168 377 330 0.999 19.33 1.1 100 99 98 99 364 90.2 0.539 0.015 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1064 Mannose 19.3867 1890.0 17.8 scans 90% 160 m/z 0.012% 23.3% 1264 0.9 1371 2312112 25.9% 212718680 208639806 235850277 1-0 5: 160 133 218 231 162 0.999 19.45 -5.2 100 99 97 99 319 557.2 16.585 -0.068 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1066 Glucose 19.4698 1896.3 >3 scans 28% 364 m/z (73) 0.017% 1.28% 1272 0.9 727 1573233 8.80% 11663727 11663727 80134457 0-0 20: 364 292 466 279 220 336 359 554 266 480 367 77 381 248 468 154 212 351 350 280 0.704 19.40 5.4 89 94 50 93 319 459.6 40.247 0.071 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN TAB_REP6-N1059 Glucose 19.6487 1910.5 5.8 scans 97% 365 m/z 0.011% 9.85% 1289 0.2 1426 2427212 89770278 89747951 1-0 20: 365 192 331 480 76 390 349 366 343 402 256 185 67 350 393 351 152 481 465 403 0.996 19.55 7.8 100 99 98 99 376 59.5 0.175 0.097 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1062 Glucose 19.6550 1911.0 5.5 scans 83% 319 m/z (365) 0.011% 8.26% 1290 0.2 1356 2466612 75296058 75281456 1-0 20: 319 73 205 147 320 160 217 103 321 206 133 229 117 189 74 129 204 157 148 207 0.958 19.66 -0.1 89 93 88 90 319 483.8 12.757 -0.001 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1056 Ascorbic acid 19.9401 1933.9 2.8 scans 86% 332 m/z 0.35% 0.129% 1317 0.8 238 78004 0.170% 1179148 1174821 1548052 1-0 19: 332 73 147 333 117 205 334 359 374 345 148 449 133 331 74 149 361 303 360 0.992 19.99 -3.8 99 98 97 99 449 26.3 1.222 -0.046 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN GUA35_L1-N1008 Glucopyranose 20.3084 1963.5 2.6 scans 97% 204 m/z 0.039% 0.864% 1352 0.8 620 709048 7868655 7868655 0-0 20: 204 73 191 147 217 205 206 192 218 129 189 133 74 103 193 148 75 117 435 305 1.000 20.41 -8.5 100 99 99 99 217 135.6 4.799 -0.106 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1050 Gluconic acid 20.5841 1985.7 2.9 scans 69% 73 m/z 2.9% 0.0166% 1378 0.8 86 9569 0.0695% 151741 136478 632880 0-3 12: 73 217 333 292 147 305 334 293 319 306 218 277 0.959 20.65 -5.2 88 89 83 88 613 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN WTF2-N1038 C16:0 21.1554 2033.1 2.8 scans 83% 313 m/z 2.2% 0.0248% 1432 1.3 100 12435 226529 211967 1-6 16: 313 117 75 132 314 129 145 55 328 57 131 315 69 285 118 201 0.955 20.62 44.8 84 88 89 95 328 12.4 1.522 0.538 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.7057 2079.3 5.7 scans 100% 507 m/z 0.014% 9.52% 1484 0.3 1435 1991312 86714742 86656628 1-0 13: 507 508 435 321 509 394 395 405 333 347 598 95 200 0.999 21.75 -3.6 100 100 99 100 507 110.6 0.596 -0.043 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1042 myo-Inositol 21.7173 2080.3 5.1 scans 87% 305 m/z (507) 0.012% 8.49% 1486 0.2 1416 2153165 77381265 75484413 1-1 20: 305 217 73 318 147 191 306 319 265 204 218 307 320 133 432 367 129 291 219 192 0.987 21.77 -4.8 93 92 96 99 318 393.4 7.741 -0.057 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8699 2093.1 2.9 scans 96% 319 m/z 0.10% 0.516% 1500 1.1 451 258885 4701077 4599807 1-1 20: 319 73 205 147 320 217 103 321 262 206 117 204 74 229 133 157 148 129 89 207 0.999 21.93 -5.0 95 92 96 99 656 11.0 0.059 -0.060 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1032 trans-Caffeic acid 22.1992 2121.6 2.6 scans 96% 73 m/z 0.20% 0.294% 1531 1.2 366 138953 0.415% 2677900 2677900 3779068 0-0 20: 73 396 219 319 397 205 381 147 320 103 398 191 217 307 220 321 133 293 382 74 1.000 22.25 -4.4 95 92 90 99 396 118.5 10.491 -0.051 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6685 2162.6 3.5 scans 85% 204 m/z 1.2% 0.0303% 1576 1.5 99 21878 0.0401% 276601 260860 365158 1-0 14: 204 73 205 147 217 249 361 74 117 145 131 191 218 133 0.985 22.71 -3.9 97 96 96 98 518 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN WTF2-N1036 C18:0 23.3955 2227.3 3.0 scans 87% TIC 2.7% 0.0199% 1645 0.9 87 10145 0.0332% 182087 168406 302325 1-2 0.992 22.89 45.5 88 95 90 94 356 12.3 2.007 0.507 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1028 Glycerolgalactose 24.1237 2293.8 2.7 scans 75% TIC 4.9% 0.00488% 1714 1.2 49 5650 0.0156% 44451 44451 142057 0-0 0.957 24.01 10.3 84 83 83 89 490 0.0 0.000 0.114 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6529 2343.9 3.4 scans 93% 73 m/z 0.57% 0.127% 1765 1.0 210 48837 0.153% 1160963 1120361 1393247 0-1 20: 73 331 147 191 217 421 307 262 319 205 103 332 305 259 422 333 376 308 192 148 0.999 24.65 0.3 98 97 98 99 466 14.0 0.444 0.003 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7445 2352.6 2.6 scans 91% 73 m/z 1.5% 0.0378% 1773 1.1 129 17943 345066 331994 1-2 20: 73 217 204 375 292 147 305 103 218 205 376 451 219 293 129 306 337 233 275 257 0.995 24.81 -5.8 95 94 93 94 451 15.5 1.443 -0.061 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4427 2519.6 2.9 scans 74% 73 m/z (219) 0.61% 0.0919% 1935 0.9 184 45282 0.111% 837287 764477 1010787 3-2 20: 73 204 147 218 129 205 206 191 103 131 231 143 74 117 363 133 243 148 130 189 0.995 26.52 -8.0 90 92 90 92 740 22.7 1.535 -0.078 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5332 2528.9 2.6 scans 81% 512 m/z 2.1% 0.0286% 1943 1.1 112 13065 260742 260742 0-0 17: 512 455 513 247 456 483 514 57 457 219 263 349 248 515 484 423 353 0.946 26.57 -4.2 98 97 90 97 512 41.9 13.923 -0.040 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN WTF2-N1032 Sucrose 26.6479 2540.8 2.5 scans 73% TIC 12% 0.00401% 1954 1.1 45 2189 0.117% 36517 33759 1065424 2-0 0.973 26.87 -22.9 83 86 79 86 451 4.8 1.117 -0.222 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN WTF2-N1028 C16:0-glycerol 26.9036 2567.2 7.2 scans 66% TIC 5.3% 0.00501% 1978 1.3 51 5191 0.0207% 45625 45625 188498 0-0 0.957 26.39 52.6 83 92 75 91 459 8.9 3.044 0.510 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1018 Sucrose 27.4055 2619.7 9.6 scans 57% 437 m/z (73) 0.0095% 7.34% 2026 1.4 1041 2920360 8.20% 66926424 65353047 74670744 1-0 16: 437 451 452 453 454 346 464 227 158 56 367 483 174 466 323 295 0.939 27.47 -6.8 94 96 73 95 437 274.8 7.008 -0.065 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1014 Sucrose 27.4055 2619.7 9.6 scans 79% 437 m/z 0.0098% 9.95% 2026 1.4 1223 2837881 11.1% 90655163 88523946 101078690 1-0 16: 437 451 452 453 454 346 464 227 158 56 367 483 174 466 323 295 0.997 27.49 -9.0 100 99 99 99 437 272.7 5.020 -0.085 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1010 Sucrose 27.4170 2620.9 9.5 scans 97% 361 m/z 0.0086% 14.2% 2027 1.1 1378 3226022 129542546 126563152 1-1 20: 361 363 319 219 305 203 155 365 229 245 190 306 273 220 450 291 333 206 292 347 0.998 27.58 -17.3 100 99 98 99 437 273.9 3.976 -0.162 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1016 Sucrose 27.4349 2622.8 9.2 scans 50% 218 m/z (361) 0.017% 3.77% 2029 4.7 995 1558656 7.25% 34349996 34349996 66019865 0-0 13: 218 189 192 273 291 258 274 348 260 334 377 213 160 0.984 27.48 -4.5 89 91 95 93 437 16.3 0.000 -0.042 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1008 Sucrose 27.4528 2624.7 8.7 scans 100% 73 m/z 0.0091% 12.8% 2031 0.2 1397 3050626 116804344 116503050 1-0 20: 73 217 147 103 129 169 74 75 191 219 133 117 189 148 205 131 149 143 157 244 0.999 27.59 -14.8 100 99 97 99 437 267.6 3.692 -0.138 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN LQC1-N1006 Trehalose 28.3745 2724.4 2.8 scans 91% 361 m/z 1.1% 0.0309% 2118 1.2 115 24081 0.121% 281798 281691 1101849 0-1 20: 361 362 73 217 363 271 147 129 364 204 331 103 243 169 192 319 218 189 74 291 0.997 28.47 -10.5 96 95 90 97 565 0.0 0.000 -0.093 G:\GCMS data\Nicotiana Panel polar\RUST_REP2.FIN GUA35_L1-N1020 Galactinol 30.4831 2965.0 3.3 scans 85% TIC 2.0% 0.0244% 2319 0.9 92 13632 222582 206955 3-3 0.954 30.55 -7.4 94 94 92 95 641 9.0 0.964 -0.062 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN EXBLK5S-N1006 Contamination 6.6036 1062.0 3.1 scans 70% 207 m/z 0.92% 0.0290% 49 1.9 106 31747 0.0641% 355045 266076 783017 11-4 17: 207 73 295 208 191 209 296 297 193 74 279 133 210 189 280 247 192 0.988 6.63 -1.3 99 98 95 98 295 32.5 9.438 -0.021 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.8235 1075.1 >9 scans 48% TIC 5.9% 0.00784% 70 999.0 48 4965 0.0617% 95804 95804 753700 0-0 0.903 6.82 0.2 92 91 85 99 295 2.6 0.000 0.002 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1194 Alanine 7.4338 1111.2 11.1 scans 54% TIC 5.2% 0.00670% 128 0.5 46 5666 0.0342% 81899 81899 417772 0-0 0.912 7.40 1.7 80 78 78 88 283 0.0 0.000 0.030 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN A-KETO~2-N1006 Contamination?? 7.9262 1140.4 2.8 scans 80% 156 m/z 1.7% 0.0135% 175 1.2 83 16619 0.0148% 165247 151017 180790 2-2 8: 156 75 55 157 54 61 76 158 0.984 7.96 -1.8 99 98 97 98 156 44.8 28.959 -0.031 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1192 Contamination 8.0072 1145.2 2.8 scans 80% 73 m/z 2.6% 0.0131% 182 1.3 83 11138 0.0242% 160986 155516 295617 1-0 15: 73 147 133 220 235 146 86 59 103 72 89 100 74 131 149 0.973 7.99 1.0 97 97 95 97 235 15.2 3.373 0.018 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1188 Contamination 8.3786 1167.3 4.3 scans 89% 281 m/z 1.0% 0.0426% 218 1.6 123 29201 0.0612% 520670 519844 747592 1-0 16: 281 147 73 369 282 283 370 265 207 148 251 74 266 267 149 372 0.997 8.41 -2.1 98 97 82 100 369 34.7 7.955 -0.036 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1190 Contamination 8.4838 1173.5 3.1 scans 70% 73 m/z 2.7% 0.00878% 228 1.7 67 10880 0.0242% 107324 107324 295617 0-0 12: 73 140 211 198 77 70 126 69 186 74 215 63 0.982 8.48 -0.0 95 95 91 95 309 7.2 1.127 -0.000 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1186 Phosphate 8.5596 1178.0 2.5 scans 88% 241 m/z 0.60% 0.0276% 235 1.1 127 48931 338240 337111 0-2 18: 241 242 211 133 163 243 256 135 195 98 181 59 165 137 121 212 257 164 0.981 8.56 -0.0 98 97 96 99 299 0.0 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1184 Valine 9.1783 1214.5 3.6 scans 69% 144 m/z (156) 3.1% 0.00706% 294 0.6 50 9452 86334 77669 5-4 3: 144 218 145 0.950 9.19 -0.5 94 96 89 96 218 15.8 9.991 -0.010 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1180 Benzoic acid 9.7454 1247.7 3.3 scans 69% 179 m/z 4.6% 0.00697% 348 1.2 52 6322 0.00773% 85177 77857 94426 11-1 5: 179 105 135 77 180 0.870 9.76 -0.8 94 94 88 97 194 7.4 2.009 -0.014 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1178 Ethanolamine 10.0022 1262.7 4.0 scans 82% 174 m/z 1.1% 0.0259% 372 0.9 92 25952 0.212% 317214 271105 2589699 3-0 10: 174 73 175 86 100 176 59 130 133 114 0.988 10.03 -1.8 99 98 96 98 262 9.9 1.170 -0.032 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN VEN77_S6-N1002 Glycerol 10.0969 1268.2 3.1 scans 95% 299 m/z 0.017% 1.17% 381 0.6 729 1672580 14322368 13618957 1-1 20: 299 300 314 73 301 133 211 283 315 207 193 191 316 302 135 225 74 284 181 75 0.988 10.09 0.2 100 99 96 100 299 449.6 38.238 0.003 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LACTIC~1-N1034 Glycerol 10.1042 1268.7 3.4 scans 5.0% 147 m/z (299) 0.53% 0.0614% 382 0.8 154 55363 0.0659% 750425 697737 805005 2-3 13: 147 205 117 206 148 129 118 175 217 101 219 220 143 0.566 10.11 -0.3 86 97 58 93 293 12.8 0.690 -0.006 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2494 1277.1 2.8 scans 87% 73 m/z 0.99% 0.0223% 396 1.4 101 29804 0.0232% 272525 251478 283401 1-4 15: 73 198 77 211 239 199 70 74 72 212 200 143 92 170 63 0.983 10.24 0.5 98 97 95 98 381 11.6 1.316 0.009 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1176 Isoleucine 10.4336 1287.9 3.0 scans 74% 158 m/z 1.9% 0.0105% 413 1.2 70 15050 0.0121% 128474 124823 147808 1-2 7: 158 218 159 232 160 219 100 0.979 10.46 -1.5 97 97 95 98 260 4.0 0.324 -0.025 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1174 Proline 10.5188 1292.9 3.2 scans 77% 142 m/z 0.64% 0.0215% 421 1.1 102 45426 0.177% 263664 263664 2162154 0-0 10: 142 73 143 216 144 74 72 66 217 70 0.986 10.55 -1.5 93 93 93 93 142 74.1 52.698 -0.026 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1012 Proline 10.5188 1292.9 3.2 scans 78% 142 m/z (180) 0.64% 0.0234% 421 1.1 102 45452 0.193% 286958 286958 2357603 0-0 10: 142 73 143 216 144 74 72 66 217 70 0.985 10.53 -0.9 93 95 92 95 216 20.1 3.833 -0.014 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1014 Maleic acid 10.6177 1298.7 2.9 scans 97% 147 m/z 0.032% 0.635% 431 0.5 550 914856 7764941 7596997 1-1 20: 147 73 245 148 75 149 83 133 115 74 246 143 170 126 59 84 247 215 58 72 0.996 10.60 0.9 99 98 98 99 245 128.9 5.520 0.016 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1170 Glycine 10.6629 1301.4 3.8 scans 43% 174 m/z (186) 2.4% 0.00858% 435 0.7 54 11936 0.0170% 104910 97262 207665 2-2 3: 174 249 276 0.704 10.69 -1.4 86 89 60 90 276 9.2 2.842 -0.024 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7576 1307.1 3.3 scans 94% TIC 0.022% 1.08% 444 0.9 654 1315793 13209525 12723871 1-3 0.977 10.76 -0.0 99 98 98 99 251 154.4 5.590 -0.000 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN WTF2-N1022 Succinic acid 10.7903 1309.0 1.9 scans 64% 247 m/z (250) 0.17% 0.0774% 447 1.1 234 165200 946002 890954 1-2 5: 247 172 173 218 262 0.991 10.27 30.5 83 81 82 99 247 56.1 5.754 0.517 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1168 Glyceric acid 11.0249 1323.2 2.6 scans 97% 73 m/z 0.10% 0.328% 469 1.0 415 283407 4018908 3848382 1-2 20: 73 147 292 189 133 103 205 293 148 117 190 102 307 75 294 74 149 59 191 101 0.999 11.05 -1.7 100 100 99 100 292 125.0 9.101 -0.029 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0859 1326.8 2.6 scans 45% 184 m/z 8.7% 0.00335% 475 1.1 42 3371 0.00722% 40953 36818 88196 0-2 6: 184 285 134 174 86 77 0.967 11.06 1.3 91 93 69 92 285 15.1 13.016 0.023 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1018 Uracil 11.1459 1330.5 2.7 scans 63% 241 m/z 6.7% 0.00447% 481 1.3 47 4350 54686 50262 1-6 7: 241 255 256 99 242 113 257 0.901 11.15 -0.1 96 95 92 99 256 15.4 10.860 -0.002 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1164 Itaconic acid 11.2227 1335.1 2.6 scans 82% TIC 2.0% 0.0107% 488 0.9 75 14759 0.307% 131834 119420 3750177 1-2 0.958 11.25 -1.8 92 91 90 94 259 15.2 4.136 -0.029 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1162 Fumaric acid 11.3795 1344.5 2.6 scans 97% 245 m/z 0.034% 0.581% 503 0.8 560 851954 7102212 6871305 1-1 20: 245 147 73 246 75 143 247 83 148 133 149 115 155 74 84 53 59 58 157 61 0.999 11.39 -0.8 100 98 98 99 245 320.9 32.947 -0.014 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4626 1349.5 3.4 scans 15% 57 m/z (204) 1.4% 0.0211% 511 1.4 89 19901 0.0443% 258674 240279 541149 0-3 9: 57 97 115 127 111 129 109 71 243 0.166 11.45 1.0 85 88 86 98 145 26.0 8.521 0.017 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4847 1350.9 3.0 scans 91% 84 m/z 0.086% 0.266% 513 0.8 354 341277 3260359 3128559 2-2 20: 84 133 161 162 119 92 118 82 51 65 85 78 63 130 134 50 91 117 104 77 0.991 10.96 31.9 95 97 97 99 161 86.3 5.957 0.529 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1160 Serine 11.5079 1352.2 2.6 scans 46% 204 m/z (84 57) 0.50% 0.0633% 515 1.2 176 58133 774309 706355 3-2 17: 204 73 218 205 147 100 278 219 206 220 306 203 148 216 279 101 114 0.958 11.56 -3.0 94 98 93 98 306 18.8 1.142 -0.049 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1020 Serine 11.5079 1352.2 2.6 scans 46% 204 m/z (84) 0.51% 0.0634% 515 1.2 176 57656 775171 707141 3-2 17: 204 73 218 205 147 100 278 219 206 220 306 203 148 216 279 101 114 0.972 11.51 -0.4 96 98 95 99 306 18.6 1.119 -0.005 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN BRA4_R~2-N1008 Thymine 11.5983 1357.7 2.8 scans 53% 255 m/z 5.2% 0.00311% 524 1.1 39 5620 37990 34602 1-1 4: 255 270 256 257 0.969 11.58 0.9 97 97 95 99 270 13.2 11.693 0.014 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1024 Threonine 11.9172 1376.9 2.8 scans 90% TIC 0.92% 0.0432% 554 1.2 139 31854 0.0481% 527811 446809 587568 5-7 0.988 11.92 -0.2 100 99 98 99 320 12.1 0.761 -0.004 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2808 1461.7 6.8 scans 62% TIC 5.3% 0.00441% 684 1.5 57 5491 0.0280% 53889 53889 342036 0-0 0.953 13.31 -1.6 92 93 86 93 349 7.5 1.713 -0.025 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1026 Malic acid 13.6375 1484.2 7.7 scans 77% 73 m/z (305) 0.0092% 6.89% 718 0.1 1172 3177783 84172765 83628974 2-0 20: 73 147 233 245 133 189 190 148 175 191 335 75 101 149 74 234 265 217 55 307 0.967 13.53 6.6 80 85 87 81 335 58.6 0.000 0.105 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1146 Malic acid 13.6375 1484.2 7.7 scans 98% 73 m/z 0.0096% 8.72% 718 0.1 1322 3050343 106627569 105938711 2-0 20: 73 147 233 245 133 189 190 148 175 191 335 75 101 149 74 234 265 217 55 307 0.999 13.62 1.4 100 99 100 100 350 36.0 0.074 0.021 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0342 1509.6 2.6 scans 40% 232 m/z 0.65% 0.0260% 755 1.5 112 44882 318518 306077 1-1 16: 232 233 218 100 234 202 188 219 334 292 220 221 204 203 235 189 0.936 14.02 1.1 91 90 86 94 258 4.0 0.000 0.017 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0731 1512.2 3.0 scans 94% 156 m/z 0.078% 0.279% 759 0.7 354 376882 3409203 3197727 1-1 20: 156 73 147 157 258 230 75 158 74 259 59 72 133 148 231 58 140 55 121 86 0.995 14.11 -2.5 94 90 95 99 273 13.8 0.151 -0.037 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1032 GABA 14.2015 1520.7 2.7 scans 81% 174 m/z 0.48% 0.0543% 771 1.1 167 60288 0.0548% 664268 647472 669413 1-1 14: 174 304 175 305 86 176 216 59 130 306 172 100 143 173 0.993 14.19 0.9 97 97 96 97 304 51.3 9.478 0.013 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3477 1530.4 2.7 scans 28% 239 m/z (447) 7.1% 0.00368% 785 1.0 43 4150 45064 42301 1-1 6: 239 342 240 174 343 263 0.920 14.37 -1.8 85 87 70 92 342 17.7 17.004 -0.026 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3667 1531.7 2.8 scans 73% 292 m/z 1.7% 0.0184% 787 1.3 97 16782 224776 213333 1-1 12: 292 147 220 293 205 217 294 148 221 102 206 291 0.958 14.62 -16.9 95 94 89 96 409 7.0 0.522 -0.254 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6171 1548.3 2.8 scans 93% 73 m/z 0.19% 0.174% 811 1.0 296 151755 2134576 1937748 1-1 20: 73 292 147 220 205 293 217 117 103 294 221 148 133 74 291 319 206 75 102 149 0.998 14.69 -4.9 100 99 98 99 409 22.6 0.586 -0.075 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3905 1599.6 3.3 scans 87% TIC 0.40% 0.0646% 884 1.5 156 72175 0.0936% 790038 737400 1143376 0-1 0.983 15.44 -3.4 98 96 96 98 393 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1120 Glutamic acid 15.5062 1607.6 2.5 scans 80% 246 m/z 1.6% 0.0148% 895 1.1 90 18336 181648 175299 1-1 11: 246 128 247 348 156 248 84 230 100 56 363 0.984 15.56 -3.7 98 97 93 97 363 8.5 0.887 -0.054 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1118 Phenylalanine 15.6135 1615.0 5.8 scans 85% TIC 1.3% 0.0272% 905 1.1 110 22499 0.0540% 332460 322735 659640 1-0 0.963 15.66 -3.2 91 89 90 95 294 8.1 0.536 -0.045 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1038 Xylose 15.8976 1634.8 6.3 scans 70% TIC 1.6% 0.0287% 932 2.0 93 17577 0.0773% 351522 351522 944263 0-0 0.885 15.89 0.6 90 87 87 98 307 20.5 4.869 0.008 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1040 Xylose 16.0134 1642.8 3.1 scans 91% 73 m/z 0.52% 0.0734% 944 1.3 182 56229 0.105% 897117 879625 1282634 1-1 20: 73 103 307 217 147 160 308 189 218 309 104 74 117 133 205 75 234 233 89 219 0.994 16.00 0.7 96 94 96 99 307 51.7 8.104 0.009 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1042 Ribose 16.1123 1649.7 3.3 scans 77% 73 m/z 1.3% 0.0262% 953 1.1 109 21341 0.160% 320066 316880 1954490 0-2 18: 73 103 307 217 308 160 277 189 218 104 74 89 205 105 204 219 233 72 0.975 16.10 0.7 96 95 94 98 307 33.4 9.313 0.009 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1110 Ribose 16.3248 1664.4 3.1 scans 36% 307 m/z (217) 3.5% 0.00871% 973 1.0 62 8261 106431 98898 1-1 6: 307 103 160 308 277 104 0.816 16.38 -3.6 82 88 75 90 467 0.0 0.000 -0.051 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6226 1685.1 3.5 scans 84% TIC 1.2% 0.0340% 1001 1.6 123 23103 0.0603% 415634 413646 736598 1-0 0.987 16.68 -3.7 99 98 96 98 497 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1104 Rhamnose 16.8804 1703.2 >4 scans 66% TIC 2.4% 0.0124% 1026 0.9 79 12269 0.108% 152307 151470 1319281 1-0 0.927 16.93 -3.7 80 82 86 87 392 9.5 1.434 -0.052 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9414 1707.6 4.3 scans 62% 73 m/z 1.9% 0.0232% 1032 1.2 104 15183 0.165% 284492 284492 2015567 0-0 17: 73 217 147 103 307 319 205 218 308 320 204 129 318 246 317 189 206 0.976 16.99 -3.5 95 95 92 95 422 4.4 0.177 -0.048 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0098 1712.6 4.4 scans 83% 73 m/z 0.76% 0.0697% 1038 1.4 162 38814 0.260% 852246 852246 3176046 0-0 12: 73 217 147 307 205 103 204 308 332 203 243 148 0.974 17.06 -3.9 91 91 90 91 510 5.3 0.106 -0.052 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1044 Putrescine 17.1960 1726.2 3.3 scans 57% 174 m/z (73) 0.78% 0.0258% 1056 1.2 104 37448 316038 310043 0-2 10: 174 175 214 176 86 172 200 361 130 173 0.961 17.19 0.6 95 96 95 98 376 6.9 0.433 0.008 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1096 Putrescine 17.1960 1726.2 3.3 scans 48% 174 m/z 0.78% 0.0216% 1056 1.2 95 37556 264091 259082 0-2 10: 174 175 214 176 86 172 200 361 130 173 0.991 17.25 -3.8 97 97 97 98 458 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3854 1740.0 4.0 scans 21% 333 m/z (345) 10% 0.00369% 1074 1.3 36 2690 0.00462% 45118 44706 56436 0-1 4: 333 292 307 334 0.870 17.44 -4.3 80 85 47 84 511 3.0 0.698 -0.058 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5790 1754.2 3.2 scans 97% 217 m/z 0.049% 0.552% 1092 1.1 489 602227 6754943 6656093 1-1 20: 217 73 218 147 219 75 230 215 189 74 129 133 244 103 216 220 148 191 130 231 1.000 17.63 -3.8 93 91 94 95 450 45.2 0.857 -0.053 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7200 1764.5 3.8 scans 46% 334 m/z (217) 1.1% 0.0518% 1105 1.1 132 25456 633586 603623 1-1 15: 334 204 256 335 336 375 255 167 267 300 376 166 211 241 66 0.923 17.70 1.6 87 91 86 92 375 14.2 1.155 0.021 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1048 Citric acid 18.2587 1803.9 3.3 scans 67% 273 m/z 0.63% 0.0769% 1157 1.3 180 46423 0.0850% 940521 921755 1038323 2-4 14: 273 363 375 347 274 465 275 211 305 364 376 466 349 183 0.967 18.24 1.1 97 96 94 100 465 28.5 2.519 0.015 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1082 Citric acid 18.2609 1804.1 4.8 scans 71% TIC 0.54% 0.0981% 1157 1.5 185 54135 0.447% 1199097 1195888 5460355 0-2 0.872 18.32 -4.6 93 93 90 95 465 26.9 2.117 -0.060 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1076 Pregnane?? 18.8006 1845.3 7.4 scans 89% 345 m/z 0.17% 0.477% 1208 1.8 316 172059 0.593% 5828776 5737857 7243827 2-1 18: 345 73 346 255 147 256 204 133 537 436 141 373 313 333 143 192 374 243 0.997 18.86 -4.4 100 99 98 99 537 23.5 0.553 -0.057 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1074 Adenine 18.8932 1852.3 3.8 scans 9.3% 264 m/z 5.0% 0.00274% 1217 1.0 34 5888 0.00321% 33521 33521 39212 0-0 3: 264 265 279 0.949 18.94 -3.6 90 92 74 91 415 2.7 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1072 Fructose 18.9985 1860.4 26.3 scans 96% 307 m/z 0.020% 7.67% 1227 1.6 1061 1431337 15.4% 93761527 91492200 188119628 1-0 20: 307 308 277 133 309 364 278 191 89 335 291 365 310 201 202 279 334 256 231 330 1.000 19.03 -2.6 100 98 99 100 364 126.1 1.420 -0.035 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1052 Fructose 19.1857 1874.7 >8 scans 76% 73 m/z 0.037% 2.67% 1245 3.2 787 791501 13.0% 32721488 32721488 158802284 0-0 20: 73 307 217 103 147 308 218 277 309 89 262 117 104 74 148 279 133 75 263 105 1.000 19.10 6.3 99 98 99 99 364 93.9 1.428 0.082 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1064 Mannose 19.3920 1890.4 21.1 scans 87% 147 m/z 0.013% 18.2% 1265 1.3 1271 2260647 21.4% 223337797 223337797 261412990 0-0 7: 147 160 206 277 114 186 330 0.996 19.45 -4.8 100 99 97 99 319 522.7 16.971 -0.063 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1056 Glucose 19.4193 1892.5 20.8 scans 73% 103 m/z (73) 0.013% 15.5% 1267 0.8 1159 2161022 21.3% 190485885 190485885 260191434 0-0 5: 103 133 157 227 119 0.987 19.33 6.7 94 95 78 95 364 82.4 0.507 0.087 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1066 Glucose 19.5193 1900.1 >2 scans 76% 319 m/z 0.015% 1.48% 1277 1.7 1057 1901727 16.6% 18199273 18199273 202778300 0-0 20: 319 205 217 320 147 160 206 229 321 189 207 218 291 231 307 191 277 274 262 161 0.991 19.40 9.2 96 94 87 98 319 479.4 20.669 0.120 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1059 Glucose 19.6634 1911.7 6.9 scans 71% 321 m/z 0.013% 4.84% 1290 0.7 1143 2190932 6.09% 59244959 56775802 74392762 1-0 20: 321 307 221 337 268 186 323 231 376 365 222 244 193 377 349 209 348 187 480 280 0.999 19.55 9.0 98 97 96 97 376 55.6 0.238 0.111 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1062 Glucose 19.6866 1913.6 6.7 scans 94% TIC 0.011% 8.56% 1293 0.2 1391 2545883 104589999 100799700 1-1 0.998 19.66 2.5 99 98 98 99 319 528.0 14.458 0.031 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1056 Ascorbic acid 19.9486 1934.6 2.9 scans 76% TIC 0.54% 0.0572% 1317 1.3 179 53778 0.178% 699635 671242 2174370 1-0 0.979 19.99 -3.1 97 96 95 98 449 18.8 1.110 -0.037 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.3063 1963.4 2.7 scans 94% 204 m/z 0.088% 0.325% 1351 1.0 405 333045 3980446 3873617 1-1 20: 204 73 191 147 205 217 206 192 218 74 129 189 133 193 103 148 75 117 305 435 0.992 20.41 -8.6 100 99 98 99 217 89.0 4.822 -0.108 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1050 Gluconic acid 20.5862 1985.9 2.8 scans 76% 73 m/z 1.3% 0.0266% 1378 1.1 127 21727 0.140% 325902 298089 1710178 0-2 20: 73 333 147 292 305 218 423 318 319 334 293 306 129 246 433 191 103 307 74 205 0.975 20.65 -5.0 84 83 82 84 613 4.3 0.112 -0.062 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN WTF2-N1038 C16:0 21.1597 2033.4 2.8 scans 81% 313 m/z 2.1% 0.0224% 1433 1.1 100 13832 274618 248614 0-14 15: 313 117 132 75 129 314 145 55 57 328 131 116 118 69 201 0.955 20.62 45.1 89 96 91 96 328 11.1 1.231 0.543 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1044 myo-Inositol 21.7257 2081.0 8.2 scans 36% 320 m/z (73) 0.016% 4.03% 1486 0.1 852 1739117 49243948 47647373 1-1 9: 320 432 393 321 134 292 294 379 272 0.941 21.77 -3.4 94 94 93 98 612 38.4 0.204 -0.041 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN INOSIT~1-N1022 myo-Inositol 21.7257 2081.0 8.2 scans 8.2% 320 m/z (306) 0.11% 0.896% 1486 0.1 402 247901 10945344 10590476 1-1 9: 320 432 393 321 134 292 294 379 272 0.782 21.74 -1.3 83 91 61 90 507 104.1 6.717 -0.015 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.7289 2081.3 8.0 scans 96% 306 m/z 0.013% 10.4% 1487 0.2 1397 2119500 127402024 127399189 1-0 15: 306 319 367 394 316 294 277 194 329 158 404 296 120 371 323 1.000 21.75 -1.6 100 99 99 99 507 104.1 0.557 -0.020 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1042 myo-Inositol 21.7289 2081.3 8.0 scans 93% 306 m/z (320) 0.013% 10.1% 1487 0.2 1377 2126735 124163604 124160841 1-0 15: 306 319 367 394 316 294 277 194 329 158 404 296 120 371 323 0.994 21.77 -3.8 97 98 98 98 318 374.3 7.406 -0.045 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1040 myo-Inositol 21.7394 2082.1 7.7 scans 55% 73 m/z (306) 0.014% 5.81% 1488 0.2 1075 1997635 71006667 70818259 1-0 20: 73 305 217 318 147 191 265 204 218 133 129 74 148 192 219 103 221 75 149 205 0.958 21.78 -3.5 83 89 91 88 378 0.0 0.000 -0.042 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8783 2093.8 2.9 scans 95% 319 m/z 0.088% 0.496% 1501 0.9 485 333200 6065975 5671748 1-2 20: 319 73 205 147 320 217 321 103 262 206 204 117 229 74 148 157 89 263 129 376 1.000 21.93 -4.3 95 92 96 99 656 11.4 0.055 -0.052 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1032 trans-Caffeic acid 22.2055 2122.1 2.5 scans 94% 73 m/z 0.13% 0.289% 1532 1.2 420 211127 0.470% 3539471 3479504 5741313 1-0 20: 73 319 396 219 205 147 320 103 397 217 381 321 398 133 307 191 117 74 220 206 1.000 22.25 -3.9 94 90 90 99 396 110.6 6.955 -0.044 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6696 2162.7 3.4 scans 84% 204 m/z 1.1% 0.0252% 1576 1.4 103 26714 0.0353% 308908 308908 431209 0-0 15: 204 73 205 249 217 147 206 145 361 131 117 191 129 74 218 0.984 22.71 -3.8 97 97 97 99 518 0.0 0.000 -0.044 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN WTF2-N1036 C18:0 23.3956 2227.3 2.9 scans 82% 341 m/z 3.2% 0.0149% 1645 1.7 80 9199 0.0157% 182276 154996 191784 3-4 12: 341 117 132 145 342 75 129 55 356 57 131 69 0.985 22.89 45.5 88 94 89 94 356 10.2 1.640 0.507 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN BRA4_R~2-N1006 Spermidine 23.5113 2237.9 2.7 scans 70% 144 m/z 6.1% 0.00776% 1656 1.0 64 4829 94812 94623 1-0 12: 144 174 116 160 156 86 172 142 170 175 100 145 0.953 23.51 0.2 87 84 93 96 490 5.4 0.703 0.002 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1028 Glycerolgalactose 24.1248 2293.9 2.6 scans 69% 204 m/z 3.7% 0.00571% 1714 1.4 53 7924 69789 68554 0-1 4: 204 337 205 103 0.940 24.01 10.4 90 90 83 91 490 0.0 0.000 0.115 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6498 2343.6 3.2 scans 94% 73 m/z 0.37% 0.168% 1764 0.6 249 78556 2057195 1986709 2-1 20: 73 331 147 217 191 421 307 262 205 319 103 305 332 422 333 259 376 308 320 148 0.997 24.65 0.0 99 97 98 100 466 14.4 0.334 -0.000 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7445 2352.6 2.6 scans 90% 73 m/z 1.5% 0.0283% 1773 1.1 124 18588 0.144% 346554 328284 1759041 1-2 20: 73 217 204 292 147 375 305 103 219 205 293 218 451 452 191 337 306 376 275 233 0.994 24.81 -5.8 94 94 93 94 451 14.5 1.373 -0.061 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4406 2519.4 2.9 scans 95% TIC 0.58% 0.0931% 1934 1.1 211 50276 1137343 1097659 1-1 0.997 26.52 -8.2 87 85 89 86 740 21.0 0.995 -0.080 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5301 2528.6 3.0 scans 82% TIC 2.1% 0.0260% 1943 1.3 109 13749 0.107% 317968 287012 1307065 0-3 0.935 26.57 -4.5 97 96 89 97 512 38.5 12.451 -0.043 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN WTF2-N1032 Sucrose 26.6479 2540.8 2.7 scans 80% 361 m/z 6.2% 0.00786% 1954 1.1 67 4746 0.0672% 96094 88418 820886 2-7 12: 361 437 73 273 217 362 438 147 363 129 218 451 0.983 26.87 -22.9 85 85 82 88 451 8.0 1.455 -0.222 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN WTF2-N1028 C16:0-glycerol 26.9068 2567.5 7.5 scans 61% TIC 6.4% 0.00543% 1979 1.7 43 4590 0.0143% 66405 65256 174683 0-2 0.917 26.39 52.9 82 91 67 90 459 7.1 2.703 0.513 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1020 Sucrose 27.4034 2619.5 11.7 scans 9.8% 437 m/z (361) 0.052% 1.24% 2026 2.1 412 564792 15161376 14725763 1-1 18: 437 451 438 439 452 453 450 303 449 151 185 246 310 356 393 467 355 455 0.839 27.46 -6.1 94 96 95 97 437 261.2 40.467 -0.058 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1014 Sucrose 27.4034 2619.5 11.7 scans 95% 437 m/z 0.0093% 11.7% 2026 2.1 1279 3145999 143127440 139015136 1-1 18: 437 451 438 439 452 453 450 303 449 151 185 246 310 356 393 467 355 455 0.997 27.49 -9.2 100 99 98 100 437 257.6 4.088 -0.087 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1010 Sucrose 27.4244 2621.7 11.7 scans 93% 217 m/z 0.0091% 11.2% 2028 1.0 1285 3238365 12.5% 137722908 134547277 152694503 1-0 19: 217 271 243 149 245 203 221 332 105 247 215 187 274 234 178 289 311 377 211 1.000 27.58 -16.5 100 98 97 99 437 257.5 4.046 -0.155 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1008 Sucrose 27.4749 2627.1 11.2 scans 100% 73 m/z 0.010% 11.0% 2033 0.2 1299 2791455 135508418 134928807 1-0 19: 73 74 75 450 59 69 55 81 54 53 76 70 334 56 61 57 357 374 455 1.000 27.59 -12.4 100 99 97 99 437 228.3 3.107 -0.116 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1016 Sucrose 27.4834 2628.0 >2 scans 42% 361 m/z (73) 0.029% 0.977% 2034 2.1 839 1004388 5.80% 11941510 11941510 70850250 0-0 20: 361 217 362 147 271 363 218 243 169 103 129 319 191 219 272 189 331 204 230 205 0.915 27.48 0.7 86 89 72 91 437 14.9 0.000 0.006 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN LQC1-N1006 Trehalose 28.3830 2725.3 2.8 scans 92% 361 m/z 0.74% 0.0366% 2119 1.2 141 39539 0.145% 447242 445758 1771256 0-1 20: 361 73 362 191 363 217 147 271 204 129 103 169 192 319 243 218 189 331 364 291 0.999 28.47 -9.6 97 96 92 98 565 0.0 0.000 -0.085 G:\GCMS data\Nicotiana Panel polar\RUST_REP3.FIN GUA35_L1-N1020 Galactinol 30.4874 2965.5 3.3 scans 84% TIC 2.8% 0.0130% 2319 1.2 72 10263 159596 141799 1-2 0.983 30.55 -6.9 93 92 91 93 641 7.6 1.119 -0.058 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN EXBLK5S-N1006 Contamination 6.6003 1061.8 3.1 scans 61% 207 m/z 1.2% 0.0313% 49 1.4 103 23231 0.110% 224803 183021 789554 5-4 14: 207 73 295 208 209 191 296 297 279 193 189 247 192 177 0.973 6.63 -1.5 99 98 94 98 295 29.8 8.315 -0.025 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.8181 1074.8 >5 scans 40% 147 m/z 7.5% 0.00827% 69 0.8 51 3764 0.0612% 59416 59416 439279 0-0 4: 147 117 73 191 0.935 6.82 -0.1 90 88 84 98 295 2.7 0.000 -0.003 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1194 Alanine 7.4010 1109.3 9.2 scans 84% 116 m/z 0.67% 0.130% 125 0.7 129 42367 0.146% 939962 904822 1047954 0-7 3: 116 117 190 0.991 7.40 -0.2 97 96 96 97 283 0.0 0.000 -0.003 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9166 1139.9 2.6 scans 79% 156 m/z 1.8% 0.0188% 174 1.2 92 15800 0.0245% 134987 128145 175855 4-2 9: 156 75 55 157 54 61 158 74 76 0.993 7.96 -2.3 99 98 96 98 156 50.4 29.907 -0.040 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1192 Contamination 7.9997 1144.8 2.7 scans 72% 73 m/z 3.8% 0.0123% 182 1.0 76 7312 0.0283% 88321 87049 203131 1-0 12: 73 147 133 235 220 148 59 72 146 86 74 100 0.972 7.99 0.6 95 96 92 96 235 15.0 3.862 0.011 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1188 Contamination 8.3795 1167.3 4.8 scans 67% 281 m/z 5.4% 0.0119% 218 1.5 56 5218 0.0272% 85677 80188 195235 4-0 10: 281 282 369 147 73 283 249 370 265 207 0.965 8.41 -2.1 97 97 81 98 369 16.4 8.429 -0.035 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1190 Contamination 8.4448 1171.2 3.1 scans 63% 73 m/z 4.1% 0.0103% 224 1.2 64 6899 0.0243% 74115 73771 174420 0-1 11: 73 140 211 198 77 186 70 126 69 113 84 0.930 8.48 -2.3 89 89 83 91 309 6.7 1.070 -0.039 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1186 Phosphate 8.5511 1177.5 2.4 scans 58% 241 m/z 2.2% 0.0131% 234 1.1 78 12941 94464 89664 1-1 9: 241 242 211 163 133 243 256 135 195 0.755 8.56 -0.5 91 90 83 97 299 0.0 0.000 -0.010 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1184 Valine 9.1729 1214.2 3.8 scans 83% 144 m/z (156) 1.0% 0.0426% 293 0.7 105 25945 0.0586% 306148 268383 420617 4-8 13: 144 73 218 145 147 146 219 100 74 59 128 246 133 0.995 9.19 -0.8 97 98 96 98 218 30.8 8.626 -0.015 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1180 Benzoic acid 9.7400 1247.3 3.1 scans 68% 179 m/z 4.2% 0.0115% 347 1.0 62 6759 82820 73584 2-4 8: 179 105 135 77 180 51 136 194 0.956 9.76 -1.2 91 88 85 97 194 9.5 2.317 -0.019 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1178 Ethanolamine 9.9989 1262.5 4.0 scans 87% 174 m/z 0.70% 0.0679% 372 0.9 135 40327 0.145% 487518 431904 1040776 2-0 10: 174 175 100 86 176 262 59 133 130 131 0.997 10.03 -2.0 99 98 98 99 262 15.3 1.282 -0.035 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN VEN77_S6-N1002 Glycerol 10.0894 1267.8 3.0 scans 90% TIC 0.038% 0.927% 380 0.8 574 735986 6655396 6450331 1-1 0.937 10.09 -0.2 100 99 97 100 299 344.1 36.081 -0.005 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LACTIC~1-N1034 Glycerol 10.0967 1268.2 3.2 scans 8.7% 147 m/z (299) 0.54% 0.0984% 381 0.9 178 52349 0.110% 706405 641813 789554 2-2 16: 147 205 117 103 218 206 148 149 204 175 129 118 219 101 203 176 0.615 10.11 -0.8 89 97 61 94 293 14.2 0.638 -0.013 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2367 1276.4 2.6 scans 84% 73 m/z 1.5% 0.0209% 395 1.2 92 18076 150528 143901 1-1 11: 73 198 77 211 199 239 74 212 289 200 92 0.981 10.24 -0.2 96 95 93 96 381 10.6 1.316 -0.003 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1176 Isoleucine 10.4313 1287.8 3.4 scans 85% TIC 1.0% 0.0318% 413 1.4 107 26352 0.573% 228421 228421 4112859 0-0 0.994 10.46 -1.6 99 98 96 99 260 8.5 0.632 -0.028 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1012 Proline 10.5176 1292.8 3.0 scans 95% TIC 0.074% 0.336% 421 0.8 361 382972 1.63% 2413973 2413617 11699755 1-0 0.997 10.53 -1.0 100 98 99 100 216 66.2 3.376 -0.015 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1014 Maleic acid 10.5923 1297.2 2.6 scans 93% 147 m/z 0.14% 0.208% 428 1.0 299 194929 1.19% 1497246 1497246 8541539 0-0 20: 147 73 245 148 75 83 149 74 133 246 115 143 84 58 59 247 170 85 126 66 0.996 10.60 -0.6 100 99 99 100 245 68.4 5.232 -0.010 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1170 Glycine 10.6533 1300.8 >5 scans 53% TIC 2.7% 0.00423% 434 1.5 66 10390 0.960% 30398 30398 6890653 0-0 0.979 10.69 -2.0 91 90 82 91 276 10.3 2.394 -0.034 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7386 1305.9 3.1 scans 93% TIC 0.039% 0.998% 442 1.2 564 717481 7164479 6805037 1-5 0.967 10.76 -1.2 99 98 97 100 251 128.9 5.241 -0.019 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1168 Glyceric acid 11.0121 1322.4 2.5 scans 93% 73 m/z 0.45% 0.109% 468 1.2 217 61954 0.113% 782526 737627 811087 0-4 20: 73 147 292 189 133 103 293 205 102 190 117 148 307 74 75 294 149 59 101 175 0.993 11.05 -2.5 100 99 98 99 292 64.1 8.679 -0.042 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0753 1326.2 2.4 scans 52% 184 m/z 9.3% 0.00496% 474 0.9 47 3059 0.00655% 35668 33911 47014 0-1 5: 184 134 285 174 86 0.951 11.06 0.7 90 90 75 93 285 15.8 11.196 0.012 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1018 Uracil 11.1363 1329.9 2.5 scans 69% 241 m/z 6.4% 0.00755% 480 1.1 56 4436 54189 51697 0-6 7: 241 256 99 255 242 113 257 0.958 11.15 -0.7 95 94 83 99 256 18.4 10.608 -0.012 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1164 Itaconic acid 11.2121 1334.4 2.5 scans 82% 147 m/z 1.8% 0.0194% 487 1.1 91 15043 0.0206% 139491 129593 147862 3-2 16: 147 73 259 148 215 149 97 67 74 68 170 141 166 230 268 260 0.966 11.25 -2.5 89 86 88 94 259 17.3 3.644 -0.040 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1162 Fumaric acid 11.3583 1343.2 2.5 scans 95% 245 m/z 0.15% 0.208% 501 0.9 308 181565 1494508 1396389 2-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 74 84 155 53 240 61 59 54 0.998 11.39 -2.1 100 99 99 100 245 170.9 30.807 -0.035 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4551 1349.1 >3 scans 88% TIC 1.3% 0.0292% 510 1.3 105 20480 0.630% 209807 209802 4521991 1-0 0.996 11.45 0.6 89 84 96 99 145 29.4 7.840 0.009 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1160 Serine 11.5077 1352.2 2.6 scans 96% 204 m/z 0.11% 0.435% 515 1.0 429 249014 3125560 3052463 1-1 20: 204 73 218 205 147 100 219 278 206 75 74 133 220 116 306 59 189 132 117 216 0.997 11.56 -3.0 100 99 99 99 306 43.2 1.019 -0.049 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1022 Thymine 11.5909 1357.2 2.8 scans 63% 255 m/z 4.7% 0.00523% 523 1.2 45 5945 37581 35890 1-1 4: 255 270 256 257 0.935 11.60 -0.6 97 98 89 98 270 15.1 11.277 -0.008 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN BRA4_R~2-N1008 Thymine 11.5919 1357.3 3.0 scans 66% TIC 4.8% 0.00394% 523 1.9 46 5860 0.502% 28337 28337 3603238 0-0 0.963 11.58 0.5 98 97 94 100 270 15.0 10.675 0.008 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1024 Threonine 11.9149 1376.8 2.6 scans 94% 73 m/z 0.46% 0.115% 554 1.1 225 60865 826066 776484 1-1 20: 73 218 219 117 291 147 292 101 220 57 74 100 293 75 128 203 133 221 132 118 0.998 11.92 -0.3 100 99 99 100 320 20.1 0.800 -0.006 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN N406_R~1-N1016 b-Alanine 12.6010 1418.9 2.6 scans 36% 248 m/z 24% 0.00173% 619 1.0 27 1160 12481 12481 0-0 2: 248 174 0.810 12.60 -0.1 83 87 63 91 304 0.0 0.000 -0.001 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1148 Glutamine?? 13.2912 1462.4 2.8 scans 92% TIC 0.32% 0.108% 685 0.9 208 88130 0.178% 780757 740389 1277642 0-1 0.986 13.35 -3.5 99 98 98 99 257 15.8 0.574 -0.056 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1146 Malic acid 13.5469 1478.5 2.9 scans 98% 73 m/z 0.028% 1.89% 709 0.7 852 1010408 13610474 13566800 1-0 20: 73 147 233 245 133 189 75 148 190 175 191 335 74 149 55 101 234 265 217 59 0.998 13.62 -4.3 100 99 99 99 350 20.9 0.060 -0.070 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1142 Erythritol/Threitol 13.7100 1488.7 2.8 scans 61% 217 m/z (100) 6.1% 0.0102% 725 1.2 59 4648 0.238% 73672 64603 1708308 0-3 7: 217 205 103 307 204 218 189 0.908 13.89 -11.4 81 82 79 90 320 5.7 0.912 -0.180 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7457 1491.0 2.7 scans 75% 100 m/z 2.8% 0.0220% 728 1.1 94 9889 0.0232% 158290 158290 166524 0-0 12: 100 243 115 128 116 244 158 201 101 245 72 131 0.980 13.81 -3.8 95 94 90 94 243 39.0 17.019 -0.060 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0183 1508.6 2.6 scans 23% 232 m/z (156) 0.59% 0.0496% 754 1.3 143 47842 356418 345094 1-1 17: 232 233 218 100 234 202 188 219 216 334 130 204 203 235 292 189 220 0.722 14.02 0.1 92 93 92 98 258 6.7 0.000 0.001 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0393 1510.0 3.0 scans 92% 156 m/z 0.086% 0.400% 756 0.7 383 330381 2874489 2714597 1-1 19: 156 73 147 157 258 230 158 75 74 259 59 148 140 231 72 58 86 55 112 0.996 14.11 -4.7 99 98 97 99 273 15.6 0.165 -0.071 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0393 1510.0 3.5 scans 91% TIC 0.091% 0.444% 756 0.7 380 310097 3187207 3101457 1-1 0.988 14.03 0.7 99 98 99 99 258 74.6 3.859 0.009 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN BRA4_R~2-N1002 4-Hydroxy Proline 14.1151 1515.0 2.6 scans 27% 230 m/z 15% 0.00111% 763 0.9 22 1878 0.0249% 8023 8023 178726 0-0 1: 230 1.000 14.11 0.2 89 96 74 97 230 17.4 64.395 0.003 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1032 GABA 14.1866 1519.7 2.6 scans 95% 174 m/z 0.17% 0.244% 770 1.0 326 165015 1753541 1661719 1-2 20: 174 73 304 147 175 305 75 86 176 59 306 216 143 100 172 246 133 130 148 74 0.996 14.19 -0.1 100 99 99 100 304 99.1 9.244 -0.001 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3287 1529.2 2.7 scans 29% 239 m/z 8.2% 0.00439% 783 1.2 41 3439 31551 30117 1-1 5: 239 342 343 240 83 0.819 14.37 -3.0 84 85 45 89 342 18.0 18.858 -0.045 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.3613 1531.3 2.6 scans 51% 292 m/z 8.2% 0.00850% 786 1.1 59 3438 61062 61062 1-0 6: 292 220 293 205 294 196 0.964 14.69 -21.9 88 89 82 91 409 3.7 0.402 -0.331 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.6096 1547.8 2.6 scans 88% TIC 1.2% 0.0423% 810 1.3 133 23600 304170 287693 0-2 0.987 14.62 -0.8 91 89 89 93 409 8.5 0.407 -0.011 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3809 1598.9 2.6 scans 75% 217 m/z 1.6% 0.0170% 883 1.6 86 17146 0.0207% 122509 122509 148580 0-0 3: 217 218 219 0.994 15.44 -4.1 95 94 91 96 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1120 Glutamic acid 15.5029 1607.4 2.5 scans 81% TIC 1.9% 0.0178% 895 0.7 91 14369 0.0449% 128358 128358 322282 0-0 0.983 15.56 -3.9 96 96 92 96 363 8.8 0.938 -0.057 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1118 Phenylalanine 15.6018 1614.2 5.4 scans 89% TIC 1.0% 0.0584% 904 1.2 146 26987 0.131% 419665 396866 940287 1-0 0.988 15.66 -4.0 94 94 91 96 294 11.5 0.629 -0.057 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1038 Xylose 15.8912 1634.3 5.8 scans 67% 103 m/z 2.9% 0.0196% 932 1.3 84 9594 0.0279% 141123 141123 200260 0-0 12: 103 73 307 217 308 218 277 89 309 233 219 104 0.980 15.89 0.1 86 83 86 92 307 24.8 8.719 0.001 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1040 Xylose 16.0069 1642.4 2.7 scans 92% 73 m/z 0.52% 0.0988% 943 1.1 205 54539 0.138% 709234 698646 990531 1-1 20: 73 103 307 217 147 308 189 160 277 218 74 117 205 133 309 104 89 75 105 219 0.992 16.00 0.3 97 94 96 99 307 56.0 7.470 0.003 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1042 Ribose 16.1048 1649.2 2.7 scans 86% 73 m/z 1.2% 0.0388% 952 0.9 129 23128 0.291% 278829 270604 2088729 1-5 20: 73 103 217 307 147 308 189 277 89 218 160 133 205 309 74 104 105 148 233 219 0.991 16.10 0.2 96 94 95 99 307 36.2 7.896 0.002 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.2279 1657.7 2.7 scans 41% 290 m/z 3.4% 0.00575% 964 1.6 45 8175 41329 38176 1-2 4: 290 291 292 392 0.922 16.28 -3.4 90 92 60 94 392 9.0 4.064 -0.048 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1108 Ribose 16.3194 1664.1 2.8 scans 93% TIC 0.44% 0.131% 973 0.8 221 63476 0.166% 943726 907060 1191509 3-3 0.990 16.38 -3.8 95 93 94 98 467 5.7 0.068 -0.056 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6161 1684.7 2.7 scans 87% TIC 1.4% 0.0435% 1001 1.3 133 20131 0.102% 312314 289051 732132 2-0 0.997 16.68 -4.1 99 98 97 98 497 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9991 1711.8 3.1 scans 85% TIC 1.1% 0.0606% 1037 1.5 147 24819 0.383% 435649 427412 2749084 0-1 0.987 17.06 -4.7 96 95 94 96 510 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1096 Putrescine 17.1896 1725.7 2.8 scans 58% 174 m/z 1.0% 0.0235% 1055 1.1 96 26686 169151 167864 1-0 15: 174 175 214 176 86 172 200 100 130 361 142 215 146 376 99 0.987 17.25 -4.3 97 96 94 99 458 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1044 Putrescine 17.1896 1725.7 2.8 scans 68% 174 m/z (73) 1.0% 0.0276% 1055 1.1 104 26680 198769 197257 1-0 15: 174 175 214 176 86 172 200 100 130 361 142 215 146 376 99 0.973 17.19 0.1 93 94 94 99 376 8.3 0.638 0.002 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3790 1739.6 2.9 scans 64% 333 m/z (345) 4.3% 0.0128% 1073 1.2 69 6539 0.0132% 91915 91408 94746 1-0 7: 333 292 103 307 334 293 335 0.951 17.44 -4.7 89 91 86 92 511 5.7 0.682 -0.064 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5673 1753.3 2.8 scans 91% 217 m/z 0.21% 0.169% 1091 1.0 262 129720 0.258% 1219293 1182646 1851863 0-1 20: 217 73 218 147 219 450 75 74 133 129 148 191 232 451 215 220 103 149 231 143 0.994 17.63 -4.7 97 96 96 97 450 33.5 1.625 -0.065 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7020 1763.1 2.7 scans 70% 334 m/z (217) 0.66% 0.113% 1104 0.9 212 43124 814819 749540 1-3 14: 334 204 256 129 335 255 375 336 211 166 183 167 285 151 0.992 17.70 0.2 94 96 93 96 375 27.1 1.628 0.003 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1086 Fructofuranose 18.0840 1791.0 2.9 scans 96% 217 m/z 0.026% 2.51% 1140 0.7 961 1075973 4.19% 18055549 17213861 30074831 1-1 20: 217 73 437 147 218 438 219 439 257 74 129 191 133 103 230 75 148 215 319 303 1.000 18.13 -3.6 93 91 93 96 437 288.9 9.069 -0.050 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1084 Shikimic acid 18.1387 1795.0 >2 scans 45% TIC 0.44% 0.0249% 1145 2.6 170 64168 2.13% 178992 178992 15288637 0-0 0.937 18.20 -4.2 91 88 70 98 462 17.2 1.031 -0.058 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.6027 1830.2 4.8 scans 85% 217 m/z 0.28% 0.260% 1190 1.1 253 98341 0.293% 1867368 1706265 2103085 5-0 20: 217 73 191 147 218 319 129 189 133 205 74 305 117 157 148 332 75 321 193 243 0.996 18.67 -5.1 95 93 93 96 319 46.0 3.321 -0.066 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1076 Pregnane?? 18.8268 1847.3 5.0 scans 97% 345 m/z 0.0096% 8.95% 1211 0.3 1449 2946036 64312091 63880274 1-0 20: 345 73 346 255 147 347 334 191 256 204 372 133 257 74 148 239 348 75 335 243 0.998 18.86 -2.4 100 99 99 100 537 106.7 0.545 -0.031 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1074 Adenine 18.8847 1851.7 3.4 scans 29% 264 m/z 1.3% 0.0166% 1216 1.5 84 20574 0.196% 119750 119750 1406842 0-0 10: 264 265 279 266 280 84 192 85 99 281 0.974 18.94 -4.2 95 95 89 96 415 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1072 Fructose 19.0120 1861.4 6.6 scans 99% 278 m/z 0.014% 11.5% 1228 0.7 1427 1953264 82742427 81783147 1-0 20: 278 149 201 310 334 221 366 244 174 319 188 135 114 88 100 464 90 247 304 161 1.000 19.03 -1.6 100 98 99 100 364 167.2 1.378 -0.021 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1070 Fructose 19.1509 1872.0 5.3 scans 89% 73 m/z (306) 0.014% 8.47% 1242 0.4 1361 2019442 16.8% 60865178 58602229 120586435 1-0 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 262 219 117 189 89 104 148 0.995 19.19 -3.3 93 94 97 94 554 47.3 0.000 -0.043 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1052 Fructose 19.1509 1872.0 5.3 scans 96% 73 m/z 0.015% 8.81% 1242 0.4 1411 1874775 17.4% 63304689 60951040 124893093 1-0 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 262 219 117 189 89 104 148 0.999 19.10 3.6 100 99 99 99 364 167.6 1.416 0.047 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1068 Galactopyranose 19.2645 1880.7 3.6 scans 86% 204 m/z 0.025% 1.81% 1252 1.0 802 1123750 19.1% 13060926 13060926 137095292 0-0 19: 204 73 191 147 205 217 206 192 129 218 133 193 189 74 117 148 203 75 305 0.998 19.32 -3.8 98 97 96 99 435 62.4 0.608 -0.050 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1064 Mannose 19.3655 1888.4 6.2 scans 98% 73 m/z 0.011% 12.2% 1262 0.2 1543 2427014 25.9% 87890011 87890011 185904087 0-0 20: 73 160 321 206 103 117 133 129 74 148 161 307 75 89 322 149 191 105 59 162 0.988 19.45 -6.8 100 99 98 100 319 624.9 16.471 -0.089 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1066 Glucose 19.3708 1888.8 6.1 scans 50% 319 m/z (73) 0.011% 6.22% 1263 0.2 1099 2427014 9.37% 44694616 44694616 67255648 0-0 19: 319 205 320 147 217 229 189 157 207 218 291 231 364 277 305 274 216 262 230 0.892 19.40 -2.1 94 97 77 97 319 624.9 32.547 -0.028 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1062 Glucose 19.5812 1905.1 3.0 scans 92% 319 m/z 0.027% 3.19% 1283 0.4 1027 1049922 22919530 22119747 2-1 13: 319 205 320 160 217 321 206 229 157 89 204 161 291 0.987 19.66 -6.0 98 97 97 97 319 411.0 16.054 -0.075 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1060 Lysine 19.6286 1908.9 2.9 scans 36% 174 m/z 3.6% 0.0174% 1287 1.3 83 7790 0.128% 125123 122216 918754 0-1 14: 174 317 156 318 128 230 175 434 100 86 115 200 88 130 0.948 19.69 -5.2 85 82 81 93 479 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7264 1916.8 2.8 scans 63% 319 m/z 3.0% 0.0161% 1296 1.2 97 9486 0.104% 116028 112392 746487 1-0 11: 319 73 205 217 320 147 103 117 321 206 308 0.970 19.79 -5.1 86 85 81 88 434 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN N406_R~2-N1016 Galacturonic acid 19.7864 1921.6 2.7 scans 36% 333 m/z 1.7% 0.0154% 1302 1.2 81 16011 0.0180% 110659 108877 129200 0-2 9: 333 160 334 335 364 423 161 314 274 0.767 19.79 -0.5 96 96 92 99 423 11.0 1.821 -0.007 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN D-GLUC~2-N1026 Glucoronic acid 6TMS STD 19.7875 1921.7 >3 scans 68% TIC 1.7% 0.0249% 1302 1.4 112 16011 0.142% 179216 179216 1019242 0-0 0.973 19.79 -0.5 93 93 85 93 333 50.8 20.639 -0.007 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN GUA35_L1-N1008 Glucopyranose 20.3136 1964.0 2.7 scans 98% 204 m/z 0.012% 3.45% 1352 0.7 1190 2214329 24775504 24470910 1-0 20: 204 73 191 205 217 147 206 192 218 129 189 74 133 193 103 75 203 117 148 305 1.000 20.41 -8.0 100 98 99 99 217 262.8 4.909 -0.100 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN WTF2-N1038 C16:0 21.1469 2032.3 2.9 scans 81% 313 m/z 3.4% 0.0238% 1431 1.7 88 8308 171380 155896 2-7 11: 313 117 145 314 132 129 55 315 328 118 131 0.985 20.62 44.0 88 94 89 94 328 10.5 1.422 0.530 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.6962 2078.5 4.1 scans 98% 305 m/z 0.015% 8.49% 1484 0.3 1513 1871045 60958735 59622469 1-1 20: 305 217 318 73 147 191 306 319 265 204 218 307 432 433 320 367 129 133 291 148 0.999 21.75 -4.4 100 100 100 100 507 120.1 0.632 -0.053 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8603 2092.3 3.1 scans 91% 319 m/z 0.34% 0.226% 1499 1.0 277 81387 1625007 1411646 2-2 20: 319 73 205 147 320 103 217 321 262 206 74 117 133 204 229 89 157 148 376 129 0.997 21.93 -5.8 97 96 97 99 656 6.0 0.047 -0.070 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1928 2121.0 2.5 scans 93% 396 m/z 0.35% 0.182% 1531 1.0 283 81207 0.192% 1306591 1217416 1378131 1-0 20: 396 219 73 397 381 398 319 220 307 191 382 249 205 147 293 75 74 103 308 383 0.999 22.19 0.5 95 92 90 100 396 114.3 16.371 0.007 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6642 2162.2 3.3 scans 92% 204 m/z 0.71% 0.0711% 1576 1.5 152 40084 0.0870% 510632 488083 624465 3-0 19: 204 73 205 147 217 206 249 117 145 131 191 74 103 129 218 133 231 219 189 0.993 22.71 -4.3 96 94 96 99 518 0.0 0.000 -0.050 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN BRA4_R~4-N1012 Spermidine 22.8978 2182.6 3.2 scans 57% 174 m/z 13% 0.00581% 1598 1.5 42 2173 0.00593% 41713 39757 42564 0-4 6: 174 200 172 201 86 84 0.994 22.90 -0.2 93 95 80 97 418 7.3 3.056 -0.002 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN WTF2-N1036 C18:0 23.4039 2228.0 3.8 scans 74% 341 m/z 8.4% 0.0106% 1646 1.8 54 3390 0.0152% 76350 76350 109102 0-0 8: 341 117 145 132 342 55 129 57 0.982 22.89 46.2 81 90 77 90 356 8.6 2.567 0.515 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1225 2293.7 2.6 scans 85% 204 m/z 2.3% 0.0172% 1714 1.7 84 11918 0.0186% 123583 117340 133506 1-0 13: 204 73 337 217 205 147 103 338 129 206 219 361 218 0.988 24.01 10.2 90 89 89 93 490 0.0 0.000 0.113 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6528 2343.9 3.5 scans 94% 73 m/z 1.1% 0.0888% 1765 0.6 155 24753 0.102% 637678 617763 732132 2-3 20: 73 331 217 191 147 421 262 307 103 319 204 305 376 259 422 308 148 333 89 218 0.995 24.65 0.3 97 96 95 97 466 9.0 0.334 0.003 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7465 2352.8 2.7 scans 79% TIC 5.3% 0.0107% 1773 1.3 68 5309 0.0156% 77314 77314 111973 0-0 0.986 24.81 -5.6 86 86 82 86 451 8.5 1.568 -0.059 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5321 2528.8 3.1 scans 83% TIC 2.6% 0.0347% 1943 1.5 109 10700 0.0595% 249522 220513 427077 2-2 0.959 26.57 -4.3 96 95 88 95 512 40.5 13.822 -0.041 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN WTF2-N1032 Sucrose 26.6488 2540.9 2.6 scans 74% 361 m/z 11% 0.00636% 1954 1.3 51 2582 0.00738% 45706 42398 52972 0-3 7: 361 73 437 273 217 362 438 0.988 26.87 -22.8 84 85 82 86 451 6.2 1.480 -0.221 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1020 Sucrose 27.4064 2619.8 7.7 scans 10% 437 m/z (361) 0.051% 1.54% 2026 1.2 483 556601 11097321 11007720 1-0 20: 437 451 439 245 259 105 233 118 246 199 223 467 67 455 154 174 235 114 263 65 0.754 27.46 -5.8 95 97 93 99 437 299.2 38.599 -0.055 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1010 Sucrose 27.4064 2619.8 7.7 scans 100% 437 m/z 0.0089% 14.8% 2026 1.2 1513 3182917 106494803 105634956 1-0 20: 437 451 439 245 259 105 233 118 246 199 223 467 67 455 154 174 235 114 263 65 0.998 27.58 -18.4 100 99 98 99 437 296.8 3.875 -0.173 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1018 Sucrose 27.4159 2620.8 7.7 scans 49% 361 m/z (73) 0.0089% 7.67% 2027 0.2 1070 3182917 55072709 54425528 1-0 20: 361 362 363 319 331 320 365 305 171 332 143 69 291 203 435 220 221 155 333 258 0.880 27.47 -5.7 91 94 56 92 437 299.2 7.877 -0.054 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1014 Sucrose 27.4201 2621.2 >6 scans 89% TIC 0.0090% 11.7% 2028 0.5 1442 3160804 14.0% 84377532 81748900 100488696 1-0 1.000 27.49 -7.5 100 99 99 100 437 291.1 4.108 -0.070 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1008 Sucrose 27.4411 2623.5 7.5 scans 99% 73 m/z 0.0092% 14.3% 2030 0.2 1525 3076280 103307622 100266371 1-1 20: 73 217 147 271 103 129 169 243 218 319 191 74 219 133 189 331 272 117 230 148 1.000 27.59 -16.0 100 99 98 99 437 281.6 3.433 -0.150 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN LQC1-N1006 Trehalose 28.3797 2724.9 4.6 scans 53% 361 m/z 8.6% 0.00535% 2119 1.0 39 3287 0.00893% 38449 35080 64097 0-2 3: 361 191 363 0.960 28.47 -10.0 88 89 70 89 565 0.0 0.000 -0.088 G:\GCMS data\Nicotiana Panel polar\RUST_REP4.FIN GUA35_L1-N1020 Galactinol 30.6545 2985.3 3.3 scans 91% 204 m/z 2.1% 0.0213% 2335 1.1 85 13304 0.0232% 153304 142822 166524 4-6 18: 204 73 205 217 191 206 147 433 218 305 129 361 230 318 319 265 293 74 0.991 30.55 12.9 83 82 88 82 641 0.0 0.000 0.110 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN EXBLK5S-N1006 Contamination 6.6783 1066.5 3.2 scans 56% 207 m/z 1.0% 0.0493% 56 1.1 101 24134 0.116% 312801 209296 735447 9-8 10: 207 295 208 209 191 296 297 192 210 189 0.980 6.63 3.2 98 98 92 98 295 30.7 9.190 0.053 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN BRA4_R~4-N1014 Lactic acid 7.0203 1086.7 >24 scans 18% 117 m/z 11% 0.0143% 89 0.2 27 2229 91131 86056 3-0 1: 117 0.759 6.82 11.8 88 92 64 90 295 0.0 0.000 0.199 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN A-KETO~2-N1006 Contamination?? 8.0546 1148.0 2.3 scans 77% 156 m/z 1.5% 0.0226% 187 1.2 96 16662 143712 142203 0-1 6: 156 55 157 54 61 158 0.988 7.96 5.8 97 96 95 98 156 50.4 27.570 0.098 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1192 Contamination 8.1324 1152.7 2.7 scans 45% 147 m/z 7.3% 0.00570% 195 1.0 48 3389 0.0151% 36187 32185 95735 0-4 5: 147 73 133 235 220 0.979 7.99 8.5 89 89 82 90 235 10.3 4.606 0.143 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1188 Contamination 8.4165 1169.5 3.6 scans 85% 281 m/z (86) 1.0% 0.0779% 221 1.3 125 24020 493995 389611 10-5 20: 281 147 73 369 282 283 265 370 249 371 191 148 266 251 284 74 149 205 208 372 0.991 8.41 0.1 97 97 82 100 369 34.9 7.824 0.002 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1186 Phosphate 8.6491 1183.3 2.6 scans 81% TIC 0.58% 0.0494% 244 1.5 131 42741 0.140% 313552 300543 887608 1-0 0.985 8.56 5.3 99 99 94 99 299 0.0 0.000 0.088 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1184 Valine 9.2604 1219.3 3.7 scans 45% TIC 5.4% 0.00430% 302 0.5 38 4574 0.0189% 27272 19589 119827 1-0 0.896 9.19 4.3 91 93 79 92 218 13.1 11.838 0.072 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1180 Benzoic acid 9.8191 1252.0 2.5 scans 63% 179 m/z 3.5% 0.0103% 355 1.0 62 7024 65653 64364 3-0 8: 179 105 135 77 180 194 106 136 0.939 9.76 3.5 93 91 88 97 194 9.5 2.355 0.060 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1178 Ethanolamine 10.0380 1264.8 5.7 scans 48% TIC 5.0% 0.00781% 376 0.5 45 4943 2.84% 49549 49549 18005769 0-0 0.785 10.03 0.3 88 91 78 93 262 4.6 1.022 0.004 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN VEN77_S6-N1002 Glycerol 10.1642 1272.2 4.2 scans 98% 299 m/z 0.0079% 5.66% 388 0.4 1122 3145315 35886751 35340698 0-1 20: 299 300 73 314 301 133 283 211 207 147 315 193 191 135 298 225 74 117 103 284 0.998 10.09 4.2 100 98 95 99 299 692.0 38.246 0.070 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1176 Isoleucine 10.4852 1290.9 2.8 scans 16% 158 m/z 5.5% 0.00371% 418 0.9 35 4544 0.00487% 23547 22251 30876 2-0 4: 158 218 159 220 0.591 10.46 1.5 85 89 58 88 260 0.0 0.000 0.026 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1012 Proline 10.5725 1296.0 3.6 scans 85% TIC 0.26% 0.112% 426 0.5 174 92895 2.86% 715942 715942 18132570 0-0 0.987 10.53 2.2 100 99 98 99 216 31.7 3.320 0.039 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6619 1301.3 2.7 scans 95% 147 m/z 0.043% 0.728% 435 0.7 493 570652 2.51% 4621714 4302826 15913549 1-5 20: 147 73 245 148 75 149 83 133 74 115 143 246 59 84 58 170 126 66 215 72 1.000 10.60 3.5 99 98 98 99 245 112.6 5.232 0.060 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1170 Glycine 10.7008 1303.7 >3 scans 51% TIC 2.1% 0.0121% 439 3.5 82 11684 1.76% 76874 76874 11158505 0-0 0.977 10.69 0.9 88 84 85 95 276 11.7 2.029 0.014 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.8029 1309.8 3.4 scans 95% TIC 0.018% 2.20% 448 0.8 760 1384231 13977308 13977308 0-0 0.972 10.76 2.7 99 97 97 100 251 175.3 5.347 0.045 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1168 Glyceric acid 11.0586 1325.2 2.5 scans 95% 73 m/z 0.23% 0.228% 473 1.1 281 108712 1451065 1380067 5-0 20: 73 147 292 189 133 103 205 293 117 102 190 148 307 74 75 294 149 59 101 191 0.995 11.05 0.3 100 99 99 100 292 82.0 8.532 0.005 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.1322 1329.6 2.6 scans 67% 184 m/z 5.7% 0.0114% 480 1.1 63 4355 0.0169% 72753 66966 107147 1-0 10: 184 134 285 174 86 77 185 286 100 59 0.954 11.06 4.1 95 95 89 98 285 19.9 9.878 0.069 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1018 Uracil 11.1817 1332.6 3.4 scans 59% TIC 6.8% 0.00641% 484 2.8 50 3637 0.186% 40668 40668 1179251 0-0 0.930 11.15 2.0 94 94 80 99 256 16.9 11.185 0.034 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1164 Itaconic acid 11.2585 1337.2 2.6 scans 69% 147 m/z 1.4% 0.0251% 492 0.9 94 17164 0.0273% 159607 154259 173084 0-2 12: 147 259 215 148 97 149 133 67 141 230 68 83 0.951 11.25 0.3 87 84 87 96 259 18.2 3.767 0.007 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1162 Fumaric acid 11.4100 1346.4 2.3 scans 97% 245 m/z 0.046% 0.680% 506 0.7 517 541219 4311420 4284286 1-0 20: 245 147 73 246 75 143 247 83 133 148 149 115 74 155 53 84 59 58 157 217 0.991 11.39 1.1 100 99 98 99 245 287.0 30.928 0.017 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4952 1351.5 3.0 scans 29% 57 m/z 1.0% 0.0278% 514 0.9 98 23459 0.0822% 176623 176623 521153 0-0 14: 57 97 115 145 127 69 129 111 109 59 128 72 71 98 0.985 11.45 3.0 80 77 82 91 145 26.8 7.494 0.049 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN WTF2-N1024 Contamination 10.96min 11.5300 1353.6 3.0 scans 72% 84 m/z 0.065% 0.611% 517 0.7 429 380566 3876482 3848551 2-0 20: 84 133 161 162 119 92 51 82 118 65 78 85 130 134 63 91 50 55 120 77 0.697 10.96 34.6 93 95 96 99 161 102.9 5.767 0.574 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1160 Serine 11.5405 1354.2 2.5 scans 44% 204 m/z 0.11% 0.414% 518 0.9 381 213988 2627515 2443169 3-1 20: 204 73 218 205 147 100 219 278 206 75 74 116 220 306 203 59 148 216 189 101 0.590 11.56 -1.0 98 98 94 99 306 38.2 1.006 -0.017 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1022 Thymine 11.6247 1359.3 2.6 scans 61% 255 m/z 2.5% 0.00897% 526 1.1 56 9757 56901 51545 1-1 7: 255 256 270 257 269 120 271 0.922 11.60 1.5 98 98 89 99 270 19.2 11.642 0.026 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1024 Threonine 11.9403 1378.3 2.5 scans 93% 73 m/z 0.40% 0.126% 556 1.1 213 61240 805067 778803 1-1 20: 73 218 219 117 291 292 101 147 220 100 57 75 74 203 128 133 202 293 132 129 0.998 11.92 1.2 100 99 99 100 320 19.0 0.797 0.019 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2914 1462.4 >3 scans 72% TIC 2.7% 0.0144% 685 0.9 79 9200 0.203% 91828 91828 1287032 0-0 0.983 13.31 -0.9 94 94 91 95 349 9.4 1.395 -0.015 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1148 Glutamine?? 13.3482 1465.9 2.7 scans 92% 155 m/z 0.18% 0.192% 690 0.8 248 132909 0.206% 1217379 1060139 1306052 0-5 20: 155 73 147 156 229 139 75 59 74 100 157 148 72 257 131 230 103 56 58 133 0.997 13.35 0.0 99 97 98 99 257 18.9 0.580 0.001 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1146 Malic acid 13.6270 1483.5 6.0 scans 98% 73 m/z 0.0084% 12.8% 717 0.2 1450 2975281 81270154 80436754 2-0 20: 73 147 233 245 133 189 190 148 75 335 191 175 74 101 55 149 234 265 217 307 0.998 13.62 0.7 100 100 99 100 350 38.6 0.071 0.010 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1142 Erythritol/Threitol 13.7291 1489.9 2.6 scans 82% 73 m/z 1.2% 0.0409% 726 1.4 120 20183 7.96% 259802 259802 50466873 0-0 20: 73 217 147 205 103 307 204 117 189 218 206 191 293 116 308 148 74 277 219 101 0.949 13.89 -10.2 96 95 93 97 320 9.1 0.570 -0.161 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.8196 1495.6 3.2 scans 84% TIC 0.55% 0.126% 735 0.7 204 45456 11.5% 804862 804862 72910684 0-0 0.960 13.81 0.8 99 99 91 99 243 79.3 15.114 0.014 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0437 1510.3 2.4 scans 47% 232 m/z 0.16% 0.145% 756 1.4 234 147571 0.152% 925072 925072 963689 0-0 18: 232 233 100 218 234 202 188 216 219 306 130 292 334 204 101 220 203 235 0.950 14.02 1.8 92 91 83 97 258 5.1 0.000 0.027 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1140 Aspartic acid 14.0510 1510.7 >3 scans 73% TIC 0.16% 0.304% 757 1.2 303 154765 1.03% 1932585 1878754 6530261 1-0 0.994 14.09 -2.4 100 99 99 99 349 15.5 0.262 -0.036 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1138 Pyroglutamic acid 14.0921 1513.5 3.0 scans 94% 156 m/z 0.032% 1.15% 761 0.5 564 778994 7320039 7320039 0-0 18: 156 73 147 157 230 258 158 74 59 259 148 72 58 140 231 121 86 112 0.987 14.11 -1.2 99 99 98 99 273 22.8 0.165 -0.018 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1032 GABA 14.2089 1521.2 2.5 scans 92% 174 m/z (314) 0.13% 0.324% 772 1.3 327 180241 0.341% 2055396 1829571 2161960 4-10 20: 174 73 304 147 175 305 75 86 176 59 216 143 100 306 246 172 133 74 130 148 0.999 14.19 1.4 98 100 99 100 304 98.2 9.014 0.021 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1134 GABA 14.2089 1521.2 2.6 scans 93% TIC 0.13% 0.311% 772 1.5 329 180705 1.72% 1973780 1813745 10904902 1-7 0.999 14.24 -2.2 100 99 98 99 304 98.2 8.933 -0.033 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3699 1531.9 2.8 scans 74% 73 m/z 1.1% 0.0465% 787 1.0 119 22192 0.334% 295258 270094 2117580 1-3 20: 73 292 147 220 205 293 117 217 221 294 103 148 74 409 291 133 102 222 206 177 0.982 14.62 -16.7 94 93 91 96 409 10.0 0.702 -0.251 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6171 1548.3 2.6 scans 92% TIC 0.29% 0.182% 811 1.3 242 86295 1156741 1029793 4-1 0.997 14.69 -4.9 99 98 97 99 409 16.9 0.491 -0.075 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1126 Pyrazine 15.0801 1579.0 3.3 scans 69% TIC 2.1% 0.0264% 855 1.0 89 11692 167709 157970 1-1 0.855 15.13 -3.4 95 95 88 96 344 25.5 8.148 -0.052 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3821 1599.0 2.9 scans 76% TIC 1.0% 0.0412% 883 2.0 108 22822 0.248% 261340 226889 1572335 0-2 0.947 15.44 -4.0 92 92 90 94 393 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1036 Glutamic acic 15.5073 1607.7 2.5 scans 61% 246 m/z (213) 2.5% 0.0149% 895 1.1 71 9780 94541 85836 1-2 9: 246 247 128 348 248 156 230 363 84 0.971 15.50 0.3 93 92 89 100 363 8.0 1.266 0.004 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1120 Glutamic acid 15.5083 1607.7 3.1 scans 69% TIC 2.5% 0.0176% 895 1.2 76 9752 111738 111738 0-0 0.957 15.56 -3.6 95 95 89 95 363 8.2 1.166 -0.052 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1118 Phenylalanine 15.6125 1615.0 2.8 scans 33% 218 m/z (328) 3.1% 0.0110% 905 1.2 58 8068 70132 67598 1-1 6: 218 192 219 100 266 220 0.881 15.66 -3.2 81 86 56 86 294 4.6 0.635 -0.046 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1038 Xylose 15.8934 1634.5 3.0 scans 67% 217 m/z 2.9% 0.0180% 932 1.4 73 8570 0.0342% 114644 113092 216830 2-1 6: 217 103 307 218 308 189 0.926 15.89 0.3 93 91 92 97 307 17.6 5.921 0.003 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1040 Xylose 16.0071 1642.4 2.6 scans 84% 73 m/z 0.78% 0.0587% 943 1.0 146 31853 372272 340504 1-1 20: 73 103 307 217 147 308 160 189 218 277 117 205 74 204 75 191 104 309 129 89 0.961 16.00 0.3 98 97 97 98 307 38.5 6.905 0.003 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1042 Ribose 16.1049 1649.2 2.6 scans 79% 73 m/z 1.2% 0.0335% 952 0.9 114 19890 0.150% 212436 203538 951009 2-0 20: 73 103 307 217 147 189 308 160 218 133 277 309 74 89 104 205 59 204 105 148 0.989 16.10 0.2 96 95 95 99 307 32.7 8.216 0.002 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6152 1684.6 2.7 scans 88% 73 m/z 0.75% 0.0755% 1001 1.2 162 33275 0.107% 479070 479070 678386 0-0 20: 73 307 319 147 103 217 308 320 205 306 129 277 218 309 243 74 133 229 148 117 0.996 16.68 -4.2 100 99 98 99 497 3.6 0.050 -0.061 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1104 Rhamnose 16.8751 1702.8 2.5 scans 68% 117 m/z 1.6% 0.0251% 1025 1.2 96 14936 0.0718% 159746 159426 455216 1-0 9: 117 160 277 118 161 219 131 129 119 0.976 16.93 -4.1 89 89 90 92 392 5.3 0.305 -0.057 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9246 1706.4 2.6 scans 68% 217 m/z 1.6% 0.0336% 1030 1.3 114 14934 0.166% 213512 213512 1052450 0-0 17: 217 205 103 307 319 218 129 204 189 308 320 206 243 191 309 317 203 0.954 16.99 -4.7 93 93 88 93 422 3.8 0.110 -0.064 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9961 1711.6 3.2 scans 82% TIC 1.0% 0.0578% 1037 1.3 135 23668 0.445% 366923 366923 2821326 0-0 0.994 17.06 -4.9 94 93 92 93 510 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1044 Putrescine 17.1897 1725.7 2.7 scans 77% 174 m/z (73) 0.54% 0.0520% 1055 1.3 133 46340 329986 329800 0-1 16: 174 175 214 172 176 200 86 100 361 142 99 187 173 126 376 362 0.965 17.19 0.1 96 96 95 99 376 10.0 0.568 0.002 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1096 Putrescine 17.1897 1725.7 2.7 scans 63% 174 m/z 0.54% 0.0426% 1055 1.3 121 46340 270416 270264 0-1 16: 174 175 214 172 176 200 86 100 361 142 99 187 173 126 376 362 0.989 17.25 -4.3 97 95 94 98 458 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1094 cis-Aconitic acid 17.3044 1734.1 3.1 scans 63% TIC 4.3% 0.00784% 1066 1.4 55 5761 49731 49731 0-0 0.929 17.36 -4.2 81 80 79 86 436 0.0 0.000 -0.058 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3781 1739.5 2.6 scans 64% 333 m/z 2.4% 0.0211% 1073 1.1 86 10334 133901 124469 5-1 11: 333 292 103 217 307 334 293 335 308 294 393 0.977 17.44 -4.8 93 93 91 93 511 4.9 0.323 -0.065 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5675 1753.3 2.7 scans 94% 217 m/z 0.11% 0.345% 1091 1.1 344 221334 0.391% 2191546 2073807 2478963 6-1 20: 217 73 218 147 219 75 74 133 305 191 129 451 232 257 148 149 103 215 220 189 1.000 17.63 -4.7 98 96 97 98 450 45.9 1.779 -0.065 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7001 1763.0 2.8 scans 51% 334 m/z (217) 2.3% 0.0367% 1104 0.8 107 10832 0.0410% 233210 220576 259942 2-0 10: 334 256 335 255 336 267 211 151 67 376 0.921 17.70 0.1 88 91 80 91 375 13.8 1.651 0.001 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1273 1794.2 2.6 scans 64% 204 m/z 0.46% 0.0889% 1144 1.0 170 53471 564199 526322 3-1 14: 204 357 206 372 255 254 358 283 282 462 331 151 447 359 0.968 18.13 0.2 95 95 92 96 372 20.1 1.394 0.002 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1082 Citric acid 18.2514 1803.4 2.5 scans 92% 273 m/z 0.12% 0.459% 1156 1.1 410 195069 0.537% 2913098 2853770 3404612 5-1 20: 273 73 147 347 363 375 274 465 75 211 275 149 148 305 364 376 74 133 348 183 0.988 18.32 -5.3 99 97 96 99 465 59.6 2.113 -0.070 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1076 Pregnane?? 18.7817 1843.8 2.8 scans 97% 345 m/z 0.059% 0.969% 1207 0.9 557 420818 6146266 5984284 1-1 20: 345 73 346 255 147 347 334 204 191 256 419 435 133 74 372 257 148 75 537 239 1.000 18.86 -5.9 100 99 99 100 537 41.2 0.548 -0.076 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1074 Adenine 18.8796 1851.3 3.0 scans 26% 264 m/z 3.2% 0.00757% 1216 1.1 48 7821 0.0416% 48016 48016 263746 0-0 5: 264 265 279 266 280 0.965 18.94 -4.6 92 92 83 94 415 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1072 Fructose 18.9669 1858.0 4.2 scans 97% 73 m/z 0.031% 2.87% 1224 1.0 808 794990 18232299 17881439 2-1 20: 73 307 217 103 147 308 218 277 133 309 74 364 117 205 189 104 219 89 75 148 0.999 19.03 -5.0 100 99 99 99 364 86.1 1.142 -0.066 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1052 Fructose 19.0942 1867.7 5.7 scans 93% 73 m/z (434) 0.049% 2.65% 1236 0.7 646 509138 13.9% 16833253 16283011 88126827 0-10 20: 73 307 217 103 147 308 218 277 309 364 74 133 117 219 104 75 263 278 129 149 0.997 19.10 -0.7 98 99 99 99 364 68.7 1.135 -0.010 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1070 Fructose 19.1310 1870.5 4.5 scans 100% 434 m/z (306) 0.12% 0.410% 1240 0.4 361 193045 2602370 2602370 0-1 2: 434 435 0.908 19.19 -4.8 95 96 86 97 554 19.7 0.296 -0.063 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1056 Glucose 19.3362 1886.1 >5 scans 83% 274 m/z 0.012% 9.96% 1259 0.3 1351 2036841 12.5% 63169898 58868993 79250744 2-0 15: 274 262 230 365 464 243 376 265 375 193 377 120 181 450 368 0.997 19.33 0.3 100 99 99 99 364 96.7 0.514 0.004 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN BRA4_R~2-N1004 Galactose 19.3510 1887.3 6.4 scans 69% 73 m/z (274) 0.010% 11.0% 1261 0.2 1302 2388205 69743582 67522482 1-1 20: 73 319 205 147 160 217 320 103 206 321 117 129 229 157 133 74 148 189 204 161 0.885 19.36 -0.8 82 93 78 84 364 0.0 0.000 -0.010 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1064 Mannose 19.3510 1887.3 6.4 scans 96% 73 m/z 0.010% 14.9% 1261 0.2 1536 2393462 94667765 91652914 1-1 20: 73 319 205 147 160 217 320 103 206 321 117 129 229 157 133 74 148 189 204 161 0.998 19.45 -7.9 100 99 99 100 319 603.6 15.505 -0.104 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1059 Glucose 19.5614 1903.5 3.0 scans 95% 319 m/z 0.020% 3.93% 1281 0.5 1055 1218244 24961478 24029485 1-1 19: 319 73 205 147 320 160 217 103 321 206 133 117 229 74 148 129 157 204 89 0.993 19.55 0.8 100 99 99 100 376 44.0 0.174 0.009 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1060 Lysine 19.6161 1907.9 2.8 scans 24% 174 m/z 6.5% 0.00716% 1286 1.1 49 3805 0.0758% 45443 40944 480577 0-1 8: 174 317 156 318 128 230 175 100 0.860 19.69 -6.2 87 88 82 89 479 0.0 0.000 -0.077 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7203 1916.3 2.7 scans 86% 73 m/z 0.59% 0.0809% 1296 1.1 173 42045 0.180% 513033 508487 1141211 1-1 20: 73 244 147 205 117 319 89 59 103 217 74 148 206 245 133 307 75 118 101 84 0.987 19.79 -5.6 90 88 91 91 434 0.0 0.000 -0.071 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1056 Ascorbic acid 19.9055 1931.1 2.7 scans 71% 332 m/z 1.0% 0.0476% 1313 0.9 126 22962 301979 267606 2-1 11: 332 333 117 374 359 334 449 303 375 361 360 0.962 19.99 -6.6 97 96 92 96 449 13.9 1.218 -0.081 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2927 1962.3 3.1 scans 74% TIC 0.60% 0.0916% 1350 1.1 168 41283 580976 552848 1-1 0.827 20.30 -0.2 91 94 90 92 433 14.3 0.729 -0.003 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1050 Gluconic acid 20.5641 1984.1 2.7 scans 80% 73 m/z 1.1% 0.0543% 1376 1.1 139 22181 0.148% 344594 304132 938329 0-2 20: 73 333 292 147 319 205 217 305 334 293 103 359 435 335 423 277 189 320 321 294 0.970 20.65 -6.8 96 96 91 96 613 6.7 0.232 -0.084 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN WTF2-N1038 C16:0 21.1355 2031.4 2.8 scans 79% 313 m/z 2.7% 0.0322% 1430 1.4 97 9109 204649 179790 1-11 14: 313 117 132 75 145 314 129 55 315 131 201 328 69 118 0.918 20.62 43.1 81 84 86 95 328 9.3 0.920 0.518 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1042 myo-Inositol 21.7100 2079.7 5.8 scans 85% 305 m/z (509) 0.013% 12.7% 1485 0.3 1473 1857670 80845119 80844398 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 433 320 133 129 192 219 148 74 0.976 21.77 -5.4 94 93 96 99 318 377.4 6.576 -0.064 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.7100 2079.7 5.8 scans 97% 305 m/z 0.011% 14.4% 1485 0.3 1573 2096219 91912626 91911807 1-0 20: 305 217 73 318 147 191 306 319 265 204 218 307 433 320 133 129 192 219 148 74 0.998 21.75 -3.2 100 99 99 99 507 118.4 0.568 -0.039 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1044 myo-Inositol 21.7173 2080.3 6.1 scans 24% 432 m/z (305) 0.024% 3.37% 1486 0.2 725 1035848 21387296 20717442 1-1 20: 432 393 419 395 392 406 407 418 405 346 391 371 437 323 422 296 302 247 315 256 0.824 21.77 -4.1 87 93 73 94 612 37.2 0.264 -0.050 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8689 2093.0 2.9 scans 96% TIC 0.056% 1.34% 1500 1.0 640 441538 8539473 8000031 3-2 0.997 21.93 -5.1 95 92 96 99 656 13.8 0.046 -0.061 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1940 2121.1 2.5 scans 94% 396 m/z 0.16% 0.359% 1531 0.9 365 151980 0.374% 2282050 2150983 2371182 1-0 20: 396 219 73 397 381 398 191 220 307 382 75 319 293 249 74 147 383 221 399 308 0.999 22.19 0.6 97 95 93 99 396 152.1 17.340 0.008 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6622 2162.0 3.6 scans 92% 204 m/z 0.36% 0.147% 1575 1.4 195 69018 0.208% 934154 889079 1318732 1-0 20: 204 73 205 147 217 249 206 117 361 145 131 218 191 74 75 129 103 189 362 148 0.997 22.71 -4.5 95 91 94 99 518 0.0 0.000 -0.052 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN BRA4_R~4-N1012 Spermidine 22.8969 2182.5 3.6 scans 29% 174 m/z 26% 0.00254% 1598 1.6 25 940 16132 16132 1-0 3: 174 200 201 0.908 22.90 -0.3 85 91 68 90 418 4.7 3.675 -0.003 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN WTF2-N1036 C18:0 23.3903 2226.8 3.1 scans 73% 341 m/z 4.8% 0.0197% 1644 2.1 67 5130 125493 110381 1-13 10: 341 117 342 132 145 129 55 57 343 131 0.972 22.89 45.0 86 92 84 92 356 9.5 2.028 0.501 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6467 2343.3 3.2 scans 95% 73 m/z 0.24% 0.383% 1764 0.6 305 101295 2433519 2387691 1-1 20: 73 331 147 191 217 421 205 319 307 262 103 332 305 259 333 422 218 376 308 263 0.995 24.65 -0.3 99 97 99 100 466 17.8 0.343 -0.003 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7414 2352.3 2.8 scans 87% 73 m/z 1.7% 0.0381% 1773 0.9 112 13941 0.313% 242023 217366 1984439 0-3 20: 73 217 204 147 292 375 219 305 103 218 451 205 233 101 129 293 148 191 169 143 0.998 24.81 -6.1 92 92 90 92 451 13.4 1.436 -0.064 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4386 2519.2 3.0 scans 95% 73 m/z 0.51% 0.156% 1934 1.0 219 48987 0.204% 991281 946685 1293372 3-1 20: 73 204 219 147 218 361 129 205 305 131 191 117 143 103 231 206 75 148 133 221 0.996 26.52 -8.4 92 91 92 91 740 23.9 1.192 -0.082 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5301 2528.6 2.7 scans 75% 512 m/z 2.2% 0.0302% 1943 0.9 104 11370 191750 188277 1-0 18: 512 455 456 513 247 57 483 514 263 457 248 497 423 249 484 235 498 203 0.922 26.57 -4.5 97 96 87 96 512 37.2 12.902 -0.043 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN WTF2-N1032 Sucrose 26.6448 2540.5 2.7 scans 58% TIC 12% 0.00321% 1954 1.0 37 1985 20385 20385 0-0 0.913 26.87 -23.2 82 85 72 85 451 0.0 0.000 -0.225 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1020 Sucrose 27.4087 2620.0 7.6 scans 10% 437 m/z (361) 0.045% 1.74% 2026 0.9 470 546644 11075383 10756567 1-1 20: 437 452 320 321 440 305 101 332 177 206 346 265 277 334 111 201 144 213 335 336 0.647 27.46 -5.6 95 97 95 99 437 288.5 37.810 -0.052 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1010 Sucrose 27.4087 2620.0 7.6 scans 97% 437 m/z 0.0080% 16.4% 2026 0.9 1454 3121148 103985691 100992355 1-1 20: 437 452 320 321 440 305 101 332 177 206 346 265 277 334 111 201 144 213 335 336 0.999 27.58 -18.2 100 99 98 99 437 287.2 3.927 -0.170 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1018 Sucrose 27.4118 2620.4 7.4 scans 49% 363 m/z (73) 0.0077% 8.60% 2027 0.8 1053 3247263 54554655 52457246 1-1 15: 363 205 440 293 207 454 206 322 348 277 442 336 351 391 152 0.902 27.47 -6.1 89 93 56 91 437 288.5 7.580 -0.058 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN TAB_REP6-N1070 Sucrose 27.4150 2620.7 7.5 scans 86% 361 m/z (437) 0.0099% 14.8% 2027 0.7 1386 2515465 94238541 91281000 1-1 20: 361 362 319 205 365 345 273 293 246 155 192 163 207 141 247 441 256 322 274 232 1.000 27.41 0.6 87 84 72 98 451 0.0 0.000 0.005 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1014 Sucrose 27.4192 2621.2 >5 scans 91% TIC 0.0077% 11.8% 2027 0.3 1426 3231810 15.4% 74978034 72598563 97636916 1-0 1.000 27.49 -7.5 100 99 99 99 437 288.1 4.110 -0.071 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1016 Sucrose 27.4318 2622.5 6.9 scans 49% 73 m/z (361) 0.014% 7.63% 2029 0.2 1056 1698872 48425782 48369355 1-0 20: 73 217 147 103 271 129 169 218 243 74 191 75 219 133 117 189 272 148 230 149 0.976 27.48 -4.8 88 90 95 92 437 16.6 0.000 -0.045 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1008 Sucrose 27.4318 2622.5 6.9 scans 100% 73 m/z 0.0078% 15.4% 2029 0.2 1511 3189652 97992908 97878723 1-0 20: 73 217 147 103 271 129 169 218 243 74 191 75 219 133 117 189 272 148 230 149 0.998 27.59 -17.0 100 99 97 99 437 281.7 3.499 -0.159 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN LQC1-N1006 Trehalose 28.3641 2723.2 2.9 scans 56% 361 m/z 6.7% 0.00549% 2117 1.2 43 3705 0.0164% 34835 33971 103977 0-1 4: 361 362 191 363 0.962 28.47 -11.7 89 90 77 90 565 0.0 0.000 -0.104 G:\GCMS data\Nicotiana Panel polar\RUST_REP6.FIN GUA35_L1-N1020 Galactinol 30.6337 2982.9 3.1 scans 90% 204 m/z 1.6% 0.0272% 2333 1.2 91 15072 172767 155464 1-6 20: 204 73 205 217 191 147 206 129 433 305 218 361 230 103 319 318 192 265 74 219 0.999 30.55 10.5 82 81 90 81 641 0.0 0.000 0.089 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN EXBLK5S-N1006 Contamination 6.5888 1061.2 2.8 scans 65% 207 m/z 1.3% 0.0594% 48 1.8 92 18275 0.0765% 283263 165276 364526 10-23 9: 207 295 208 209 191 296 297 279 193 0.941 6.63 -2.1 97 97 92 97 295 28.6 9.675 -0.036 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN BRA4_R~4-N1014 Lactic acid 6.7614 1071.4 >4 scans 38% 117 m/z 7.6% 0.0135% 64 1.3 49 3143 0.0333% 64676 51201 158676 0-6 2: 117 147 0.908 6.82 -3.5 82 78 71 96 295 3.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1194 Alanine 7.3874 1108.5 6.7 scans 78% TIC 1.3% 0.0615% 124 0.4 84 17351 0.153% 293072 273385 729052 2-0 0.987 7.40 -1.0 95 95 93 95 283 0.0 0.000 -0.017 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN A-KETO~2-N1006 Contamination?? 7.8830 1137.9 2.6 scans 78% 156 m/z 2.1% 0.0206% 171 1.2 76 11162 0.0265% 98599 90889 126274 1-1 9: 156 75 55 157 158 54 61 76 74 0.982 7.96 -4.3 98 98 95 98 156 42.6 31.100 -0.074 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1192 Contamination 7.9662 1142.8 2.7 scans 80% 147 m/z 2.8% 0.0240% 179 1.2 83 8436 0.0376% 114728 113935 179166 2-0 15: 147 73 133 220 146 152 148 59 86 72 100 160 103 131 149 0.993 7.99 -1.4 97 97 94 97 235 16.7 4.020 -0.023 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1188 Contamination 8.3723 1166.9 4.2 scans 89% TIC 1.3% 0.0588% 217 1.3 106 17170 0.125% 280193 278411 595630 3-0 0.991 8.41 -2.5 99 98 86 100 369 31.5 8.820 -0.043 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1190 Contamination 8.4428 1171.1 2.8 scans 72% 73 m/z 2.7% 0.0165% 224 1.2 71 8733 0.0385% 78865 78791 183454 0-1 12: 73 140 211 198 77 70 69 186 126 170 74 215 0.973 8.48 -2.4 94 94 91 94 309 7.9 1.244 -0.041 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1186 Phosphate 8.5270 1176.1 2.4 scans 87% 241 m/z 0.81% 0.0380% 232 1.1 110 29433 181071 178415 1-2 19: 241 242 211 133 163 243 256 135 195 89 59 121 98 257 137 134 107 119 164 0.991 8.56 -1.9 100 99 96 99 299 0.0 0.000 -0.034 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1184 Valine 9.1562 1213.2 3.2 scans 81% 144 m/z 1.7% 0.0255% 292 0.9 74 13454 0.0384% 121981 107720 182978 7-8 9: 144 73 218 145 147 219 100 74 59 0.994 9.19 -1.8 97 96 93 98 218 22.9 9.506 -0.032 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1180 Benzoic acid 9.7254 1246.5 3.0 scans 86% 179 m/z 1.6% 0.0362% 346 1.3 90 14434 172550 157239 1-7 10: 179 105 135 77 180 51 136 106 181 76 0.961 9.76 -2.0 99 99 94 99 194 13.8 2.340 -0.034 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1178 Ethanolamine 9.9927 1262.1 3.3 scans 91% 174 m/z 0.48% 0.100% 371 1.2 146 49367 0.455% 479069 429949 2168095 3-0 19: 174 73 175 147 86 100 176 59 133 130 262 131 74 114 134 101 148 88 132 0.995 10.03 -2.4 100 99 98 99 262 16.4 1.257 -0.041 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN VEN77_S6-N1002 Glycerol 10.0748 1266.9 2.7 scans 93% TIC 0.020% 1.83% 379 0.9 704 1174420 8742599 8592126 1-1 0.962 10.09 -1.1 100 100 98 100 299 437.2 38.800 -0.019 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LACTIC~1-N1034 Glycerol 10.0821 1267.4 3.5 scans 7.2% 147 m/z (299) 0.52% 0.125% 380 1.0 160 45591 0.138% 599219 570262 657576 1-3 6: 147 103 206 148 118 88 0.565 10.11 -1.6 89 98 60 94 293 11.8 0.546 -0.028 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN A-AMYRIN-N1012 Contamination?? 10.2347 1276.3 2.5 scans 92% 73 m/z 0.61% 0.0641% 394 1.1 138 38656 305589 304472 0-1 20: 73 198 77 211 70 199 74 212 381 239 289 200 143 170 92 75 56 189 142 63 0.994 10.24 -0.3 99 98 97 98 381 15.5 1.273 -0.005 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1176 Isoleucine 10.4209 1287.2 3.1 scans 83% TIC 1.5% 0.0244% 412 1.6 79 15363 0.695% 116503 110648 3311705 1-0 0.992 10.46 -2.2 98 97 94 97 260 7.4 0.883 -0.038 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1012 Proline 10.5062 1292.2 2.8 scans 93% 142 m/z 0.17% 0.170% 420 1.1 217 137934 1.67% 814719 803872 7957622 2-0 20: 142 73 143 216 147 144 72 59 75 74 66 141 217 70 148 133 218 244 100 68 0.997 10.53 -1.6 100 98 99 100 216 41.3 3.622 -0.027 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1014 Maleic acid 10.5903 1297.1 2.6 scans 97% TIC 0.067% 0.562% 428 0.8 399 355867 2.33% 2678763 2570102 11102551 0-6 0.999 10.60 -0.7 99 98 98 99 245 92.2 5.359 -0.012 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1170 Glycine 10.6419 1300.1 >3 scans 54% TIC 3.4% 0.00484% 433 1.5 53 6846 1.33% 23087 23087 6337508 0-0 0.958 10.69 -2.7 90 90 81 90 276 9.1 2.959 -0.045 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN EXBLK5S-N1002 d4-Succinic acid 10.7355 1305.8 2.6 scans 95% 147 m/z 0.026% 1.50% 442 0.7 636 897819 7171190 6450601 1-2 20: 147 73 251 76 148 149 58 132 74 133 252 177 75 176 150 59 118 72 62 131 0.996 10.76 -1.3 99 97 96 99 251 153.4 5.840 -0.022 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1168 Glyceric acid 11.0344 1323.7 3.1 scans 98% 73 m/z 0.025% 3.68% 470 0.5 927 933899 17546315 17078861 1-1 20: 73 147 292 189 133 205 103 293 148 190 102 117 294 75 74 149 59 191 101 217 1.000 11.05 -1.2 100 99 99 100 292 298.2 10.363 -0.020 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0733 1326.1 >2 scans 45% 184 m/z 8.8% 0.00548% 474 2.0 41 2692 0.0472% 26126 26126 224910 0-0 4: 184 285 134 174 0.986 11.06 0.6 86 86 62 89 285 13.3 10.376 0.010 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1018 Uracil 11.1333 1329.7 2.8 scans 69% 241 m/z 7.5% 0.00798% 480 1.5 46 3161 0.0136% 38026 37648 64805 0-1 7: 241 255 256 99 242 147 113 0.995 11.15 -0.9 94 94 85 98 256 16.1 12.034 -0.015 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1164 Itaconic acid 11.2143 1334.6 2.5 scans 78% 147 m/z 2.9% 0.0146% 487 1.1 62 8131 1.72% 69698 61967 8195875 3-1 6: 147 73 259 215 148 149 0.971 11.25 -2.3 91 90 86 94 259 13.2 4.519 -0.038 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1162 Fumaric acid 11.3584 1343.3 2.5 scans 96% 245 m/z 0.11% 0.347% 501 1.0 324 208682 1657835 1582442 1-1 20: 245 147 73 246 75 143 247 83 133 148 149 115 155 74 53 84 58 61 59 54 1.000 11.39 -2.0 100 99 99 99 245 184.3 32.320 -0.035 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4542 1349.0 3.0 scans 18% 57 m/z 1.3% 0.0427% 510 1.3 103 17496 0.0505% 203773 192083 240635 2-0 15: 57 97 115 145 127 69 56 129 59 109 111 98 71 72 201 0.228 11.45 0.5 92 93 93 98 145 29.6 8.250 0.008 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN WTF2-N1024 Contamination 10.96min 11.4668 1349.8 2.9 scans 84% 84 m/z 0.15% 0.321% 511 1.1 277 157935 1530344 1391434 2-2 20: 84 133 161 162 119 92 65 51 118 82 85 78 63 134 130 91 117 50 77 52 0.950 10.96 30.8 96 98 96 99 161 69.1 6.224 0.511 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1020 Serine 11.5036 1352.0 >3 scans 91% TIC 0.25% 0.261% 515 1.0 257 94753 0.561% 1247309 1171922 2673189 0-2 1.000 11.51 -0.6 100 99 99 99 306 27.2 1.121 -0.009 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN BRA4_R~2-N1008 Thymine 11.5910 1357.3 2.5 scans 53% 255 m/z 7.6% 0.00387% 523 1.2 33 3125 18481 18481 0-0 3: 255 270 256 0.900 11.58 0.5 97 99 93 99 270 11.5 12.200 0.007 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7257 1365.4 3.2 scans 77% TIC 2.5% 0.0281% 536 0.8 83 9570 0.0298% 134209 123389 141998 0-1 0.943 11.79 -3.5 95 95 93 96 262 9.1 1.193 -0.059 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1024 Threonine 11.9140 1376.7 2.5 scans 94% 73 m/z 0.70% 0.0996% 554 1.1 170 34198 474995 448524 1-2 20: 73 218 219 291 117 292 101 147 220 57 100 293 203 74 128 75 132 202 133 320 0.998 11.92 -0.4 100 99 98 99 320 16.1 0.892 -0.007 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN CITRAM~1-N1004 Citramalic acid 3TMS STD 13.2755 1461.4 2.7 scans 71% 247 m/z (155) 3.7% 0.0191% 683 1.4 71 6311 91463 91463 0-1 6: 247 115 248 349 233 249 0.955 13.31 -1.9 91 94 88 94 349 8.9 1.555 -0.030 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1146 Malic acid 13.5954 1481.5 4.6 scans 98% 73 m/z 0.010% 10.7% 714 0.2 1324 2262210 50998304 50608470 1-0 20: 73 147 233 245 189 133 190 335 148 191 175 75 234 217 149 101 265 74 307 55 0.999 13.62 -1.3 100 100 100 100 350 36.0 0.074 -0.022 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1142 Erythritol/Threitol 13.8427 1497.1 3.3 scans 73% TIC 3.4% 0.0118% 737 1.3 70 6921 0.0688% 56613 56613 327835 0-0 0.980 13.89 -3.0 83 78 82 93 320 7.1 1.010 -0.047 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1140 Aspartic acid 14.0279 1509.2 2.5 scans 53% 232 m/z (156) 0.29% 0.152% 755 1.1 208 80715 726645 695387 1-2 16: 232 233 218 100 202 234 188 306 216 219 334 292 189 130 220 349 0.933 14.09 -3.9 95 98 89 97 349 13.4 0.414 -0.059 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1138 Pyroglutamic acid 14.0573 1511.2 4.5 scans 88% TIC 0.098% 0.633% 758 0.5 338 243149 3019882 2971603 1-0 0.985 14.11 -3.5 99 98 97 99 273 13.6 0.163 -0.053 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1032 GABA 14.1931 1520.2 2.7 scans 93% 174 m/z 0.26% 0.203% 771 1.1 235 90021 0.240% 969275 969275 1143610 0-0 20: 174 304 73 147 175 305 176 86 75 216 59 306 143 100 246 172 130 133 74 148 0.996 14.19 0.4 100 99 98 99 304 73.6 9.789 0.005 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1134 GABA 14.1931 1520.2 2.7 scans 93% 174 m/z (226) 0.26% 0.210% 771 1.1 236 90473 0.248% 1000760 1000760 1181731 0-0 20: 174 304 73 147 175 305 176 86 75 216 59 306 143 100 246 172 130 133 74 148 1.000 14.24 -3.2 98 99 98 99 304 74.1 9.887 -0.049 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6266 1548.9 2.4 scans 98% 73 m/z 0.042% 1.62% 812 0.7 690 560539 7746509 7639774 0-1 20: 73 292 147 220 205 293 217 117 103 294 221 148 319 133 74 291 149 75 206 102 1.000 14.69 -4.3 100 100 99 100 409 54.0 0.615 -0.065 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7434 1556.7 2.8 scans 66% 174 m/z 2.0% 0.0240% 823 1.0 80 11749 114703 114703 0-1 8: 174 86 176 175 250 100 59 65 0.674 14.16 38.4 90 92 91 99 250 14.6 3.313 0.578 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3841 1599.1 2.5 scans 71% 217 m/z 2.1% 0.0141% 884 1.3 68 11153 0.0207% 67545 67545 98636 0-0 4: 217 218 219 129 0.960 15.44 -3.9 92 92 88 93 393 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1120 Glutamic acid 15.5073 1607.7 2.6 scans 89% 246 m/z 1.0% 0.0488% 895 1.1 118 22859 0.0656% 232927 224089 312587 1-1 20: 246 73 247 128 147 348 230 248 156 75 84 218 363 100 56 149 74 349 158 133 0.993 15.56 -3.6 98 98 95 98 363 12.6 1.138 -0.053 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1118 Phenylalanine 15.6104 1614.8 2.5 scans 82% 218 m/z 0.95% 0.0600% 905 1.2 132 25076 286344 276872 1-1 12: 218 192 219 91 100 266 220 74 65 160 294 148 0.962 15.66 -3.4 93 94 85 95 294 10.2 0.599 -0.049 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1038 Xylose 15.8924 1634.4 3.0 scans 62% 217 m/z 7.3% 0.00970% 932 1.4 49 3274 0.0674% 46221 45387 321164 0-3 4: 217 103 307 218 0.955 15.89 0.2 93 95 87 95 307 13.0 6.895 0.002 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1040 Xylose 16.0081 1642.4 2.6 scans 85% 73 m/z 1.3% 0.0432% 943 1.0 116 17577 205945 200220 1-0 20: 73 103 307 217 308 189 160 204 309 277 218 133 74 205 201 104 59 234 105 219 0.980 16.00 0.3 97 96 95 97 307 30.4 6.867 0.004 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1042 Ribose 16.1060 1649.2 2.7 scans 80% 73 m/z (245) 2.1% 0.0361% 952 0.9 94 11385 0.143% 172264 159196 681401 1-0 15: 73 103 307 217 147 308 277 218 189 104 309 74 117 205 105 0.987 16.10 0.2 93 94 93 96 307 28.3 9.062 0.003 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN A-AMYRIN-N1010 Contamination?? 16.2291 1657.8 2.9 scans 45% 290 m/z 3.3% 0.00801% 964 1.7 43 7048 38213 37161 1-1 5: 290 291 292 158 392 0.835 16.28 -3.3 90 89 59 94 392 8.1 3.525 -0.047 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1108 Ribose 16.3217 1664.2 2.8 scans 89% TIC 0.81% 0.0921% 973 0.8 153 29446 0.171% 439219 418673 814822 2-3 0.989 16.38 -3.7 95 95 94 96 467 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6173 1684.7 2.7 scans 84% TIC 2.4% 0.0383% 1001 2.0 96 9952 0.0553% 182653 182653 263507 0-0 0.992 16.68 -4.1 97 97 92 97 497 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9256 1706.5 2.8 scans 59% 217 m/z 7.0% 0.00841% 1030 1.1 52 3420 0.0848% 40091 39951 404076 1-0 7: 217 319 307 205 103 318 147 0.933 16.99 -4.6 84 84 80 86 422 0.0 0.000 -0.063 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 17.0003 1711.9 3.5 scans 69% 73 m/z 2.4% 0.0319% 1037 1.9 86 9882 0.168% 152185 152185 800527 0-0 14: 73 217 319 205 147 307 306 218 103 129 189 204 320 308 0.896 17.06 -4.6 92 92 85 92 510 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1044 Putrescine 17.1908 1725.8 2.7 scans 75% 174 m/z (73) 1.2% 0.0266% 1055 1.2 84 18423 127199 126922 0-1 11: 174 175 214 176 172 200 361 86 100 173 215 0.971 17.19 0.2 94 95 94 97 376 7.3 0.758 0.003 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1096 Putrescine 17.1908 1725.8 2.7 scans 65% 174 m/z 1.2% 0.0233% 1055 1.2 79 18424 111237 110995 0-1 11: 174 175 214 176 172 200 361 86 100 173 215 0.996 17.25 -4.2 97 96 96 97 458 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3844 1740.0 3.8 scans 70% TIC 2.7% 0.0240% 1074 1.2 78 8756 0.395% 114790 114790 1882192 0-0 0.972 17.44 -4.3 94 94 90 94 511 4.7 0.368 -0.059 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5706 1753.5 2.7 scans 91% 217 m/z 0.22% 0.223% 1091 1.0 243 106863 0.367% 1066549 990082 1748771 4-1 20: 217 73 218 147 450 219 305 232 191 451 74 257 129 75 148 149 203 169 131 72 0.997 17.63 -4.5 96 95 96 96 450 40.8 2.837 -0.061 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7021 1763.1 2.8 scans 61% 334 m/z (217) 1.2% 0.0616% 1104 0.9 123 19297 293580 255842 2-4 14: 334 204 256 335 336 255 375 285 267 183 211 167 376 151 0.945 17.70 0.2 88 91 87 91 375 14.4 1.390 0.003 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1086 Fructofuranose 18.0662 1789.7 2.9 scans 51% 217 m/z 2.3% 0.0292% 1139 1.2 84 10144 0.0977% 139469 134994 465545 0-2 9: 217 437 438 218 439 257 230 303 215 0.907 18.13 -4.9 91 91 79 93 437 28.7 11.587 -0.068 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1046 Shikimic acid 18.1325 1794.6 2.6 scans 76% 204 m/z 0.42% 0.109% 1145 1.0 173 56313 0.123% 522520 453526 586100 5-7 15: 204 205 206 357 372 255 254 331 462 358 256 447 373 359 463 0.977 18.13 0.6 96 96 93 97 372 21.6 1.557 0.007 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1082 Citric acid 18.2566 1803.8 2.5 scans 95% 273 m/z 0.13% 0.662% 1157 0.9 431 177149 0.767% 3156177 3044796 3654788 1-1 20: 273 73 147 347 363 375 274 465 275 149 211 75 148 305 364 376 348 257 133 74 0.995 18.32 -4.9 99 97 97 99 465 67.8 2.477 -0.064 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1076 Pregnane?? 18.7933 1844.7 2.6 scans 96% 345 m/z 0.023% 2.67% 1208 0.6 854 1001963 12750302 11852417 1-1 20: 345 73 346 255 147 347 334 204 191 256 435 419 372 133 74 148 257 348 239 75 1.000 18.86 -5.0 100 100 99 100 537 67.9 0.636 -0.065 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1074 Adenine 18.8838 1851.6 3.1 scans 52% 264 m/z 2.3% 0.0140% 1216 1.4 57 10343 0.0695% 67115 65868 331171 1-0 7: 264 279 265 266 192 84 280 0.987 18.94 -4.3 92 91 83 93 415 3.8 0.442 -0.055 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1072 Fructose 18.9785 1858.8 3.3 scans 98% 73 m/z 0.018% 5.56% 1225 0.5 1115 1263941 26513567 26172047 0-1 20: 73 307 217 103 147 308 277 218 309 133 364 189 74 205 117 104 219 89 148 75 1.000 19.03 -4.2 100 98 99 100 364 128.2 1.328 -0.055 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1052 Fructose 19.1005 1868.2 3.1 scans 96% 73 m/z 0.025% 3.93% 1237 0.7 962 944040 18752055 17689471 2-3 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 117 262 89 219 189 104 148 1.000 19.10 -0.2 100 99 100 99 364 112.2 1.364 -0.003 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1066 Glucose 19.1531 1872.2 3.1 scans 21% 319 m/z 1.9% 0.0147% 1242 1.0 77 12573 3.71% 70197 70197 17678311 0-0 7: 319 205 160 229 161 206 291 0.817 19.40 -18.7 84 86 60 85 319 45.2 34.312 -0.246 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1054 Galactose 19.2110 1876.6 3.6 scans 51% 319 m/z (204) 1.8% 0.0443% 1247 1.0 106 13240 11.2% 211479 211479 53368486 0-0 8: 319 320 160 321 229 161 322 157 0.987 19.22 -0.4 91 93 91 95 376 3.9 0.137 -0.005 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN BRA4_R~2-N1004 Galactose 19.2247 1877.6 4.5 scans 44% TIC 1.2% 0.0406% 1249 0.8 114 19579 8.84% 193735 193735 42122984 0-0 0.663 19.36 -10.5 81 85 62 87 364 5.5 0.229 -0.136 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1068 Galactopyranose 19.2310 1878.1 2.9 scans 54% 204 m/z (319) 0.85% 0.0675% 1249 1.3 127 27951 0.667% 321964 302704 3178284 3-0 6: 204 191 192 203 193 435 0.983 19.32 -6.4 93 94 92 95 435 8.9 0.484 -0.084 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1064 Mannose 19.3215 1885.0 3.9 scans 98% 319 m/z 0.012% 9.47% 1258 0.5 1371 1849354 45167815 45164095 1-0 20: 319 73 205 147 160 320 217 321 103 206 117 229 157 133 129 74 189 204 207 148 0.999 19.45 -10.2 100 99 99 100 319 548.6 16.083 -0.134 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1059 Glucose 19.5456 1902.2 2.8 scans 96% TIC 0.043% 1.96% 1279 0.7 712 549044 9371465 8932089 1-1 0.994 19.55 -0.5 100 99 99 100 376 28.7 0.163 -0.006 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1061 Lysine 19.6140 1907.7 2.6 scans 62% 174 m/z 5.4% 0.0161% 1286 1.0 67 4381 0.0942% 76803 76039 448867 1-0 10: 174 317 156 128 318 100 230 175 434 86 0.938 19.61 0.1 92 93 87 96 434 8.3 1.532 0.001 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN N406_R~2-N1016 Galacturonic acid 19.7666 1920.0 2.7 scans 28% 333 m/z 8.0% 0.00426% 1300 1.2 34 2969 20334 20334 0-0 4: 333 160 334 335 0.967 19.79 -2.1 85 85 72 90 423 0.0 0.000 -0.026 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN BRA4_R~2-N1010 Tyrosine 19.8118 1923.6 3.5 scans 60% TIC 2.1% 0.0121% 1304 1.5 72 11275 0.120% 57786 57786 571805 0-0 0.945 19.82 -0.5 87 87 75 92 382 7.8 1.170 -0.006 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1056 Ascorbic acid 19.9023 1930.9 2.7 scans 84% 332 m/z 1.1% 0.0608% 1313 0.8 132 21538 0.107% 289807 276604 509860 2-1 17: 332 147 333 205 117 334 345 359 375 149 331 449 361 148 303 360 304 0.988 19.99 -6.8 97 96 93 97 449 14.1 1.135 -0.084 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN GUA35_L1-N1008 Glucopyranose 20.2853 1961.7 2.7 scans 67% 204 m/z (394) 0.55% 0.105% 1349 1.2 165 43071 500554 482896 1-1 16: 204 191 205 206 192 129 193 291 231 203 243 345 317 436 169 89 0.978 20.41 -10.3 91 93 92 94 217 35.4 4.606 -0.129 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2948 1962.4 2.8 scans 64% 394 m/z 0.52% 0.119% 1350 1.0 179 45947 568947 560625 0-1 17: 394 103 307 395 333 277 433 308 221 393 309 407 359 334 104 278 279 0.746 20.30 -0.1 94 96 91 95 433 17.0 0.896 -0.001 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1052 Gluconic acid 2 20.5126 1979.9 2.7 scans 54% 292 m/z 4.1% 0.0155% 1371 1.0 71 5817 0.0399% 74296 74296 190125 0-0 11: 292 319 333 293 103 277 294 320 433 334 435 0.928 20.60 -6.8 86 87 75 86 613 0.0 0.000 -0.084 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN INOSIT~1-N1024 myo-Inositol 21.6984 2078.7 4.0 scans 98% 217 m/z 0.012% 12.6% 1484 0.4 1549 1935251 60088751 58496082 1-1 20: 217 305 73 147 318 191 306 265 319 204 218 307 432 133 129 320 192 433 219 367 0.996 21.75 -4.2 100 100 99 100 507 118.8 0.591 -0.051 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8625 2092.5 3.1 scans 93% 319 m/z 0.36% 0.290% 1499 1.2 251 65810 6.87% 1384575 1227177 32735848 9-1 20: 319 73 205 147 320 103 217 321 262 206 117 133 74 148 204 89 229 129 157 376 0.999 21.93 -5.6 97 95 97 99 656 5.8 0.054 -0.067 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1887 2120.7 2.6 scans 78% 396 m/z 0.46% 0.154% 1530 1.1 207 51581 738478 738478 0-0 20: 396 219 397 381 398 220 307 191 382 249 293 383 189 399 192 115 233 267 309 160 0.751 22.19 0.2 98 98 94 99 396 83.1 16.051 0.003 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1032 trans-Caffeic acid 22.1929 2121.0 2.8 scans 93% TIC 0.41% 0.235% 1531 1.0 249 57045 0.303% 1119831 1013031 1443808 0-5 0.998 22.25 -5.0 96 94 92 98 396 82.7 11.074 -0.057 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6664 2162.4 3.3 scans 89% 204 m/z 1.4% 0.0414% 1576 1.4 97 16538 0.0721% 197413 197413 343560 0-0 15: 204 73 205 147 249 217 361 117 191 129 74 218 75 103 133 0.989 22.71 -4.1 97 96 95 98 518 0.0 0.000 -0.048 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN WTF2-N1036 C18:0 23.3987 2227.6 3.1 scans 83% 341 m/z 4.9% 0.0200% 1645 1.9 65 4852 0.0234% 95449 95449 111502 0-0 10: 341 117 132 342 129 145 55 57 343 69 0.995 22.89 45.8 86 92 85 92 356 9.3 2.046 0.510 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN BRA4_R~2-N1006 Spermidine 23.5103 2237.8 2.7 scans 79% 144 m/z 4.5% 0.0219% 1656 0.9 79 5262 104492 104492 1-0 19: 144 174 116 156 86 172 170 130 142 100 157 201 175 59 145 214 128 115 146 0.991 23.51 0.1 96 94 96 98 490 7.2 0.836 0.001 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1028 Glycerolgalactose 24.1269 2294.1 2.6 scans 80% TIC 4.2% 0.00994% 1715 1.2 55 5647 0.0451% 47377 47377 214903 0-0 0.988 24.01 10.6 89 89 86 89 490 0.0 0.000 0.117 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6540 2344.0 3.2 scans 94% 73 m/z 0.80% 0.158% 1765 0.5 172 29778 757123 740284 1-1 20: 73 331 421 147 217 191 307 262 205 319 103 422 332 305 259 148 376 74 423 333 0.996 24.65 0.4 98 97 97 97 466 10.6 0.381 0.004 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7487 2353.0 2.6 scans 88% 73 m/z 2.6% 0.0307% 1774 1.2 94 8896 0.0345% 146346 139238 164394 1-0 20: 73 204 217 292 147 375 305 103 219 451 205 218 363 233 129 74 148 131 133 275 0.996 24.81 -5.4 90 90 88 90 451 12.4 1.718 -0.056 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3544 2510.5 2.8 scans 81% 204 m/z 2.5% 0.0258% 1926 2.2 73 9526 0.0762% 123003 109847 363096 4-0 10: 204 73 495 205 496 206 130 74 497 231 0.997 26.35 0.5 83 83 81 83 495 15.5 4.498 0.004 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5374 2529.4 2.7 scans 72% 512 m/z 2.2% 0.0423% 1944 0.8 107 10698 201734 201734 0-0 15: 512 455 513 247 456 483 457 497 248 263 423 249 409 233 350 0.953 26.57 -3.7 96 95 84 95 512 41.7 15.187 -0.036 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN WTF2-N1032 Sucrose 26.8773 2564.5 3.1 scans 60% 361 m/z (221) 7.2% 0.0142% 1976 1.2 57 3322 0.0223% 68078 64778 106260 1-1 8: 361 437 117 289 362 438 271 131 0.985 26.87 0.8 81 80 75 91 451 5.5 0.928 0.007 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1020 Sucrose 27.4139 2620.6 9.1 scans 9.5% 437 m/z (361) 0.044% 2.43% 2027 1.2 467 535338 11620218 11547754 1-0 16: 437 451 438 439 453 440 450 441 454 463 366 379 517 481 393 421 0.865 27.46 -5.0 94 97 95 98 437 295.2 40.110 -0.047 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1010 Sucrose 27.4202 2621.3 9.0 scans 97% 361 m/z 0.0075% 25.6% 2028 1.1 1504 3156754 122270147 122270147 0-0 19: 361 362 452 331 307 232 260 358 223 275 53 322 374 323 350 295 349 266 394 0.998 27.58 -16.9 100 99 98 99 437 292.7 3.812 -0.159 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1018 Sucrose 27.4202 2621.3 9.0 scans 48% 361 m/z (73) 0.0077% 12.7% 2028 1.1 1057 3097451 60611399 60611399 0-0 19: 361 362 452 331 307 232 260 358 223 275 53 322 374 323 350 295 349 266 394 0.885 27.47 -5.2 90 93 55 91 437 298.6 8.057 -0.050 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1014 Sucrose 27.4350 2622.8 >7 scans 92% 217 m/z 0.0076% 21.2% 2029 0.5 1462 3150430 24.5% 101281571 94380106 116743563 2-0 16: 217 243 272 189 204 229 305 170 306 463 346 377 348 465 153 265 1.000 27.49 -5.9 100 100 99 100 437 291.4 4.004 -0.055 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1012 Sucrose 27.4623 2625.8 8.8 scans 46% 73 m/z (257) 0.014% 11.4% 2032 0.1 1030 1618586 54663197 54575637 1-0 20: 73 217 147 271 103 169 129 218 243 191 319 74 189 204 219 205 331 117 133 148 0.958 27.50 -4.1 83 82 91 93 437 16.2 0.000 -0.039 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1008 Sucrose 27.4623 2625.8 8.8 scans 99% 73 m/z 0.0082% 24.3% 2032 0.1 1509 2913718 116028838 115842982 1-0 20: 73 217 147 271 103 169 129 218 243 191 319 74 189 204 219 205 331 117 133 148 1.000 27.59 -13.7 100 99 98 99 437 272.1 3.270 -0.129 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN LQC1-N1006 Trehalose 28.3788 2724.8 3.1 scans 74% TIC 4.2% 0.0114% 2119 1.2 55 5648 0.0753% 54770 54044 358808 0-1 0.985 28.47 -10.1 91 90 79 91 565 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel polar\TAB_REP1.FIN GUA35_L1-N1020 Galactinol 30.6115 2980.2 2.8 scans 90% TIC 0.91% 0.0632% 2331 1.4 128 26290 301158 275780 1-3 0.985 30.55 7.8 81 79 91 82 641 0.0 0.000 0.067 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN EXBLK5S-N1006 Contamination 6.1932 1037.7 >23 scans 56% TIC 3.6% 0.404% 10 2.2 50 5301 177260 177260 0-0 0.957 6.63 -25.6 86 86 67 93 295 14.3 8.068 -0.432 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1194 Alanine 7.1938 1097.0 8.8 scans 67% TIC 4.1% 0.187% 105 2.3 39 4668 82208 81433 0-1 0.952 7.40 -12.5 91 92 85 91 283 0.0 0.000 -0.210 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1188 Contamination 8.9625 1201.8 >9 scans 75% TIC 7.4% 0.122% 273 2.0 36 2601 0.325% 53695 52665 142433 3-0 0.976 8.41 32.4 91 94 78 95 369 10.2 8.239 0.548 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1184 Valine 9.0583 1207.4 5.2 scans 59% 144 m/z 4.9% 0.129% 283 3.2 36 3883 56563 52334 1-3 3: 144 218 145 0.966 9.19 -7.6 93 93 86 93 218 12.5 11.805 -0.130 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1180 Benzoic acid 9.6423 1241.6 6.8 scans 64% 105 m/z 8.4% 0.121% 338 3.1 33 2292 0.126% 53266 53266 55220 0-0 3: 105 179 135 0.930 9.76 -6.9 93 95 85 95 194 4.8 2.198 -0.117 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1178 Ethanolamine 9.9327 1258.6 >6 scans 78% 174 m/z 3.3% 0.148% 366 1.9 44 5852 0.510% 64982 60514 223510 2-0 4: 174 175 86 73 0.980 10.03 -5.9 95 95 86 94 262 4.4 1.003 -0.101 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN VEN77_S6-N1002 Glycerol 10.0084 1263.0 3.3 scans 90% TIC 0.24% 2.09% 373 1.9 184 80467 2.20% 916371 821447 964160 0-6 0.975 10.09 -5.0 100 99 97 99 299 109.9 35.732 -0.086 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LACTIC~1-N1034 Glycerol 10.0337 1264.5 6.2 scans 27% 205 m/z (299) 2.9% 0.448% 375 1.9 63 6473 0.544% 196565 176747 238411 3-2 8: 205 117 147 103 218 118 206 101 0.889 10.11 -4.5 93 99 91 97 293 2.8 0.193 -0.076 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1176 Isoleucine 10.3651 1283.9 4.2 scans 56% 158 m/z 3.4% 0.104% 407 2.1 37 5607 45913 43818 1-2 2: 158 218 0.967 10.46 -5.5 85 85 62 85 260 0.0 0.000 -0.094 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN TAB_REP6-N1012 Proline 10.4472 1288.7 4.5 scans 67% 142 m/z (180) 1.2% 0.288% 414 1.9 64 16022 0.538% 126504 126504 235781 0-0 6: 142 73 143 216 144 72 0.982 10.53 -5.1 88 89 83 89 216 13.4 4.452 -0.086 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1174 Proline 10.4472 1288.7 4.6 scans 69% TIC 1.3% 0.169% 414 1.4 65 14404 1.06% 74086 74086 464550 0-0 0.991 10.55 -5.7 97 97 93 97 142 46.5 51.898 -0.098 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN TAB_REP6-N1014 Maleic acid 10.5240 1293.2 3.3 scans 88% 147 m/z 0.59% 0.756% 422 1.5 116 32483 3.03% 331351 287345 1327912 0-4 20: 147 73 148 245 149 75 83 115 74 133 246 59 84 170 66 126 53 215 247 69 0.999 10.60 -4.6 98 97 97 97 245 27.7 5.654 -0.078 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN EXBLK5S-N1002 d4-Succinic acid 10.6661 1301.6 3.9 scans 93% TIC 0.20% 2.77% 435 2.2 200 96721 1214629 1146428 1-5 0.969 10.76 -5.5 99 98 98 99 251 45.4 5.152 -0.092 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1168 Glyceric acid 10.9691 1319.8 3.4 scans 93% 73 m/z 0.77% 1.02% 464 1.7 134 24940 450285 411241 1-2 20: 73 147 189 292 133 293 103 205 190 102 307 148 117 294 74 149 59 75 101 175 0.998 11.05 -5.1 99 99 98 99 292 39.5 8.724 -0.085 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN TAB_REP6-N1018 Uracil 11.0859 1326.8 3.4 scans 66% TIC 12% 0.0319% 475 2.1 29 1510 0.821% 14008 14008 359807 0-0 1.000 11.15 -3.8 91 92 83 93 256 9.8 11.676 -0.062 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1162 Fumaric acid 11.3142 1340.6 3.1 scans 91% TIC 0.70% 0.663% 497 1.7 114 27458 4.58% 290616 264911 2007206 1-0 0.991 11.39 -4.7 99 98 96 98 245 64.2 31.793 -0.079 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN WTF2-N1024 Contamination 10.96min 11.4078 1346.2 3.9 scans 90% 84 m/z 0.33% 1.95% 506 1.9 163 57500 855299 785041 1-5 19: 84 133 162 119 92 51 85 118 65 78 63 134 130 91 55 120 77 52 106 0.991 10.96 27.2 94 94 95 97 161 39.9 5.966 0.452 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1160 Serine 11.4710 1350.0 3.5 scans 91% TIC 0.32% 2.30% 512 1.3 199 59034 4.44% 1009862 958560 1945851 0-6 0.999 11.56 -5.2 99 98 98 99 306 19.9 1.003 -0.086 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN BRA4_R~2-N1008 Thymine 11.5667 1355.8 4.4 scans 54% 255 m/z 10% 0.0280% 521 1.4 21 1797 12289 12289 0-0 3: 255 256 270 0.964 11.58 -1.0 93 95 78 95 270 8.3 15.970 -0.017 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN TAB_REP6-N1024 Threonine 11.8866 1375.1 3.2 scans 92% 73 m/z 1.4% 0.507% 551 1.4 101 13420 222582 215506 1-1 20: 73 218 219 117 291 101 292 220 57 100 74 128 202 132 131 133 129 148 114 320 1.000 11.92 -2.0 98 97 96 97 320 9.7 0.933 -0.034 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1146 Malic acid 13.5143 1476.4 2.6 scans 97% 73 m/z 0.063% 7.78% 706 0.9 439 305689 3413569 3283987 1-1 20: 73 147 233 245 133 75 148 189 190 74 335 55 175 191 101 149 234 217 59 131 0.999 13.62 -6.4 100 99 99 99 350 11.0 0.063 -0.103 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1134 GABA 14.1730 1518.8 2.8 scans 95% 174 m/z 0.54% 0.975% 769 1.1 144 35643 0.977% 427349 416226 428175 1-4 20: 174 73 304 147 175 86 59 176 306 75 100 246 216 133 143 148 130 74 172 131 1.000 14.24 -4.6 99 98 97 98 304 44.0 9.354 -0.069 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3561 1531.0 3.0 scans 78% TIC 7.5% 0.0839% 786 0.6 40 2562 3.34% 36787 34589 1463770 0-5 0.987 14.62 -17.6 81 81 74 81 409 0.0 0.000 -0.265 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6086 1547.7 2.5 scans 97% 73 m/z 0.19% 2.81% 810 1.0 269 100424 1232106 1175812 1-1 20: 73 292 147 205 220 293 217 117 103 148 74 221 294 133 319 291 149 75 206 102 1.000 14.69 -5.5 100 99 98 99 409 19.3 0.518 -0.083 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7254 1555.5 3.0 scans 39% 174 m/z (267) 2.0% 0.190% 821 1.1 63 9314 83393 81122 1-1 10: 174 175 86 176 250 59 100 65 251 130 0.961 14.16 37.2 90 97 91 97 250 11.8 3.470 0.560 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN TAB_REP6-N1036 Glutamic acic 15.5009 1607.2 2.5 scans 76% TIC 8.6% 0.0432% 895 0.6 31 2240 0.145% 18935 16434 63547 0-1 0.980 15.50 -0.2 93 94 90 94 363 0.0 0.000 -0.002 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1118 Phenylalanine 15.5966 1613.9 2.8 scans 81% 218 m/z (267) 5.3% 0.126% 904 1.1 53 3614 55648 52228 1-1 6: 218 192 204 219 220 266 0.994 15.66 -4.3 92 94 88 95 294 0.0 0.000 -0.062 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN A-AMYRIN-N1010 Contamination?? 16.2301 1657.9 2.6 scans 48% 290 m/z 10% 0.0164% 964 1.8 19 1778 7213 7213 0-0 1: 290 0.959 16.28 -3.2 82 89 55 89 392 0.0 0.000 -0.046 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN TAB_REP6-N1042 Ribose 16.3237 1664.4 2.7 scans 86% 73 m/z 2.7% 0.214% 973 0.7 67 6996 93917 82384 1-11 14: 73 103 307 217 147 189 218 277 308 160 104 89 133 74 0.999 16.10 15.4 95 95 92 95 307 19.8 8.701 0.221 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6162 1684.7 2.6 scans 82% 73 m/z 5.4% 0.106% 1001 1.5 52 3538 0.298% 46524 45959 130600 1-0 10: 73 319 307 103 147 217 320 308 205 129 0.988 16.68 -4.1 93 93 88 93 497 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9961 1711.6 3.0 scans 74% 117 m/z 7.8% 0.0791% 1037 1.1 41 2459 0.154% 34701 34701 67491 0-0 4: 117 217 305 319 0.962 17.06 -4.9 82 82 72 83 510 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1096 Putrescine 17.1886 1725.7 2.6 scans 74% 174 m/z 1.3% 0.166% 1055 1.2 64 13973 72802 72014 0-1 10: 174 175 214 172 200 176 86 100 361 130 0.998 17.25 -4.3 97 96 95 97 458 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5674 1753.3 2.5 scans 96% 217 m/z 0.28% 1.37% 1091 1.1 186 67844 604620 590248 1-1 20: 217 73 218 147 450 219 74 257 232 305 191 451 133 75 148 149 129 203 452 169 0.998 17.63 -4.7 93 92 93 93 450 32.5 3.058 -0.065 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6989 1762.9 2.6 scans 81% 204 m/z 2.4% 0.265% 1104 0.8 77 7951 116470 111496 2-1 12: 204 334 256 129 255 375 149 267 166 258 285 244 0.952 17.70 0.0 92 93 83 92 375 10.0 1.682 -0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN TAB_REP6-N1046 Shikimic acid 18.1272 1794.2 2.6 scans 65% 204 m/z 3.1% 0.104% 1144 0.9 47 6211 45844 41928 3-1 5: 204 205 255 357 206 0.975 18.13 0.2 82 82 74 82 372 6.9 2.155 0.002 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN TAB_REP6-N1048 Citric acid 18.2503 1803.3 2.7 scans 87% TIC 1.4% 0.495% 1156 1.4 108 13762 0.760% 217167 209964 333074 5-2 0.973 18.24 0.5 98 97 95 99 465 16.8 2.428 0.006 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1076 Pregnane?? 18.7753 1843.4 2.6 scans 97% 345 m/z 0.21% 2.55% 1206 1.0 254 90047 1119012 1096887 1-0 20: 345 73 255 346 147 347 204 191 256 334 435 74 419 133 148 257 372 149 239 348 0.999 18.86 -6.3 100 99 97 99 537 19.6 0.597 -0.083 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1072 Fructose 18.9437 1856.2 2.6 scans 97% 73 m/z 0.14% 4.20% 1222 1.0 322 133993 1843034 1744552 3-1 20: 73 103 307 217 147 308 277 133 218 74 117 205 309 364 189 104 89 148 204 219 1.000 19.03 -6.8 99 98 98 98 364 33.7 1.097 -0.089 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN TAB_REP6-N1052 Fructose 19.0626 1865.3 2.6 scans 94% 73 m/z 0.27% 2.52% 1233 1.0 241 71668 2.65% 1107830 956163 1161375 2-2 20: 73 217 307 103 147 308 277 218 74 364 309 117 89 133 205 104 262 189 219 204 1.000 19.10 -3.1 98 98 98 98 364 27.0 1.256 -0.041 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN BRA4_R~2-N1004 Galactose 19.1857 1874.7 2.9 scans 82% TIC 3.9% 0.153% 1245 1.9 59 4879 9.97% 67097 67097 4369399 0-0 0.983 19.36 -13.4 90 90 82 90 364 0.0 0.000 -0.175 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1064 Mannose 19.2678 1880.9 2.6 scans 97% 73 m/z 0.15% 4.68% 1253 0.9 334 128645 2054472 1960535 7-1 20: 73 319 205 147 160 320 217 103 321 206 117 133 74 204 129 229 189 157 148 291 1.000 19.45 -14.3 99 98 98 99 319 121.2 13.172 -0.187 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN TAB_REP6-N1059 Glucose 19.5119 1899.5 2.9 scans 87% TIC 0.67% 1.04% 1276 0.9 149 28759 457329 406473 5-2 0.936 19.55 -3.2 92 90 91 95 376 4.8 0.102 -0.040 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1062 Glucose 19.5129 1899.6 2.8 scans 89% 73 m/z 0.66% 1.04% 1276 0.9 151 29280 456327 406374 4-1 20: 73 319 205 147 160 103 320 217 321 206 133 117 74 89 129 189 157 161 148 229 0.944 19.66 -11.5 92 91 90 92 319 50.8 11.335 -0.143 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2926 1962.3 2.6 scans 92% 73 m/z 1.9% 0.308% 1350 1.1 87 9830 135096 129557 1-1 20: 73 217 147 103 394 307 218 205 305 333 74 277 148 433 189 396 133 117 221 308 0.993 20.30 -0.2 90 88 84 91 433 9.9 1.288 -0.003 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN INOSIT~1-N1024 myo-Inositol 21.6541 2075.0 3.0 scans 98% 73 m/z 0.10% 11.3% 1480 1.1 469 184195 4955870 4707172 1-1 20: 73 305 217 147 318 191 306 319 265 204 218 307 432 129 433 320 133 148 291 74 0.999 21.75 -7.9 100 99 99 99 507 37.8 0.652 -0.095 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.9077 2096.3 3.2 scans 91% 319 m/z 3.4% 0.255% 1504 1.3 66 5673 112133 99432 1-3 15: 319 73 205 147 320 103 217 321 229 206 74 133 117 157 204 0.997 21.93 -1.8 91 91 86 91 656 0.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN TAB_REP6-N1066 trans-Caffeic acid 22.2223 2123.6 3.4 scans 87% 396 m/z 4.3% 0.196% 1534 1.4 55 4446 0.200% 86080 69783 87651 1-21 12: 396 219 397 381 73 398 191 307 220 249 382 293 0.991 22.19 3.1 93 93 79 93 396 25.8 22.216 0.036 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.7011 2165.4 3.1 scans 90% 204 m/z 5.1% 0.0820% 1579 1.2 41 3756 0.159% 35941 35664 69682 2-0 5: 204 73 205 217 147 0.992 22.71 -1.1 90 90 86 90 518 0.0 0.000 -0.013 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6771 2346.2 3.3 scans 86% 73 m/z 5.5% 0.175% 1767 0.6 52 3469 0.181% 76745 69989 79324 3-5 14: 73 191 331 217 262 147 319 421 103 205 307 117 204 305 0.980 24.65 2.6 85 85 78 85 466 0.0 0.000 0.027 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5437 2530.0 2.5 scans 77% 512 m/z 19% 0.0247% 1944 1.2 25 970 10841 10841 0-0 3: 512 455 513 1.000 26.57 -3.1 80 83 58 83 512 12.1 22.681 -0.029 G:\GCMS data\Nicotiana Panel polar\TAB_REP2.FIN LQC1-N1014 Sucrose 27.3728 2616.2 3.1 scans 98% 361 m/z 0.037% 19.8% 2023 1.5 605 520664 8680094 8419668 0-8 20: 361 73 362 217 437 147 363 271 103 129 451 218 169 438 243 319 191 439 219 364 1.000 27.49 -12.5 100 99 99 100 437 117.4 3.776 -0.117 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN EXBLK5S-N1006 Contamination 6.5068 1056.3 14.8 scans 57% 295 m/z (234) 2.2% 0.256% 40 1.5 72 10497 0.442% 513961 476392 886557 0-3 5: 295 296 140 207 209 0.986 6.63 -7.0 93 95 87 95 295 23.6 10.643 -0.118 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN BRA4_R~4-N1014 Lactic acid 6.6836 1066.8 7.1 scans 33% 147 m/z 5.2% 0.0498% 57 0.3 57 4486 0.0687% 99963 97037 137797 0-3 4: 147 117 190 170 0.838 6.82 -8.1 87 85 84 97 295 3.7 0.000 -0.137 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1194 Alanine 7.3244 1104.8 6.6 scans 72% 116 m/z 2.0% 0.103% 118 0.4 74 11283 0.170% 208278 200049 340984 1-0 5: 116 73 190 117 148 0.970 7.40 -4.7 95 94 93 94 283 7.0 0.892 -0.080 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN A-KETO~2-N1006 Contamination?? 7.8315 1134.8 2.8 scans 72% 156 m/z 3.0% 0.0427% 166 1.5 73 7766 0.0566% 85683 79481 113527 1-1 7: 156 75 55 157 54 61 76 0.917 7.96 -7.4 96 96 92 98 156 38.1 27.262 -0.125 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1192 Contamination 7.9167 1139.9 2.7 scans 67% 147 m/z 5.3% 0.0269% 174 0.9 64 4360 0.0561% 54025 53392 112525 1-0 13: 147 73 133 235 220 146 86 103 89 160 72 100 148 0.958 7.99 -4.3 92 93 86 93 235 13.0 4.125 -0.072 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1188 Contamination 8.3303 1164.4 5.4 scans 72% 281 m/z 2.7% 0.108% 213 1.5 77 8657 0.114% 217456 203138 228660 1-1 9: 281 369 147 282 249 283 265 207 148 0.863 8.41 -5.0 98 98 94 98 369 24.3 10.060 -0.085 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1186 Phosphate 8.4997 1174.4 2.5 scans 53% 241 m/z 5.5% 0.0183% 229 1.0 50 4250 36838 36838 1-0 6: 241 242 211 133 212 163 0.956 8.56 -3.6 81 77 61 91 299 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1184 Valine 9.1226 1211.2 3.0 scans 71% 144 m/z (156) 2.6% 0.0412% 289 0.8 63 8971 82746 68780 2-5 5: 144 218 145 219 146 0.972 9.19 -3.8 94 96 90 96 218 18.8 8.862 -0.065 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1180 Benzoic acid 9.6950 1244.7 2.9 scans 67% 179 m/z 4.0% 0.0383% 343 1.5 62 5765 76826 59057 3-11 8: 179 105 135 77 180 194 51 136 0.956 9.76 -3.8 93 93 89 97 194 9.3 2.209 -0.064 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1178 Ethanolamine 9.9675 1260.6 3.4 scans 86% 174 m/z 1.2% 0.0996% 369 0.8 98 18909 0.353% 199949 180209 708042 3-0 9: 174 73 175 86 100 176 133 262 59 0.983 10.03 -3.9 98 98 94 97 262 11.7 1.441 -0.067 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN VEN77_S6-N1002 Glycerol 10.0433 1265.1 2.7 scans 91% TIC 0.081% 1.19% 376 1.6 389 286334 1.26% 2401660 2289228 2527290 2-3 0.986 10.09 -2.9 100 99 98 100 299 231.6 35.488 -0.051 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LACTIC~1-N1034 Glycerol 10.0664 1266.4 3.6 scans 44% 205 m/z (299) 0.95% 0.243% 378 1.0 147 24529 0.276% 488367 458233 553597 1-2 13: 205 147 117 218 206 103 204 175 148 219 118 293 220 0.955 10.11 -2.6 94 97 94 98 293 9.9 0.453 -0.044 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN A-AMYRIN-N1012 Contamination?? 10.2105 1274.9 2.7 scans 74% 73 m/z 3.4% 0.0236% 392 1.2 56 6864 47490 41507 1-2 7: 73 198 211 77 70 239 199 0.980 10.24 -1.7 90 90 83 91 381 5.8 1.069 -0.029 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1176 Isoleucine 10.3989 1285.9 2.9 scans 79% TIC 2.2% 0.0377% 410 1.7 71 10515 0.810% 75779 75427 1624686 2-0 0.979 10.46 -3.5 96 96 91 96 260 5.7 0.632 -0.060 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1012 Proline 10.4841 1290.9 2.9 scans 89% 142 m/z 0.39% 0.176% 418 1.2 150 58918 0.443% 354404 353198 888563 1-0 17: 142 73 143 216 144 72 59 74 66 100 68 141 70 170 133 148 244 0.997 10.53 -2.9 99 98 97 99 216 28.0 3.494 -0.049 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1014 Maleic acid 10.5651 1295.6 2.7 scans 96% 147 m/z 0.14% 0.667% 426 1.0 293 161010 0.734% 1339719 1271454 1472247 1-4 20: 147 73 245 148 75 149 83 74 133 246 115 143 59 170 84 126 215 54 61 58 0.997 10.60 -2.2 100 98 99 99 245 68.8 5.512 -0.037 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1170 Glycine 10.6220 1298.9 >4 scans 64% TIC 3.9% 0.0223% 431 1.0 59 6004 1.86% 44885 44885 3730761 0-0 0.991 10.69 -3.9 89 89 80 90 276 9.2 2.411 -0.065 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN EXBLK5S-N1002 d4-Succinic acid 10.7061 1304.0 3.0 scans 93% TIC 0.070% 1.70% 439 1.6 415 333402 3417840 3315597 0-5 0.961 10.76 -3.1 100 99 98 100 251 92.1 4.928 -0.052 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1168 Glyceric acid 11.0007 1321.7 2.6 scans 95% 73 m/z (183) 0.062% 2.62% 467 1.0 600 376629 5268345 4881542 1-2 20: 73 147 292 189 133 103 205 293 102 117 148 190 307 75 74 294 59 149 101 191 1.000 11.05 -3.2 99 100 99 100 292 182.8 9.288 -0.053 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1018 Uracil 11.1133 1328.5 2.7 scans 72% 241 m/z 6.0% 0.0248% 478 1.4 56 3852 49925 48000 1-2 10: 241 99 255 256 113 242 243 183 100 257 0.981 11.15 -2.1 94 93 83 99 256 18.4 10.690 -0.035 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1162 Fumaric acid 11.3396 1342.1 2.6 scans 96% 245 m/z 0.14% 0.725% 499 1.1 314 163164 1455673 1415318 1-1 20: 245 147 73 246 75 143 247 83 148 133 115 149 155 84 74 53 59 157 58 127 0.998 11.39 -3.2 100 99 99 100 245 174.9 31.072 -0.053 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN WTF2-N1024 Contamination 10.96min 11.4427 1348.3 2.9 scans 92% 84 m/z 0.20% 0.599% 509 1.3 265 115117 1202969 1164404 1-3 20: 84 133 161 162 119 50 92 51 85 82 118 65 78 55 63 130 134 91 117 104 0.980 10.96 29.3 93 93 92 97 161 63.1 5.665 0.487 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1020 Serine 11.4869 1351.0 >4 scans 85% TIC 0.50% 0.346% 513 1.1 196 46105 1.47% 695624 647354 2948505 0-2 0.998 11.51 -1.6 100 99 99 99 306 20.1 1.049 -0.026 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN BRA4_R~2-N1008 Thymine 11.5763 1356.4 2.8 scans 63% 255 m/z 5.3% 0.0153% 522 1.3 43 4385 30810 28530 1-1 6: 255 270 156 256 257 269 0.931 11.58 -0.4 99 99 97 99 270 14.1 10.566 -0.008 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1158 UNKp_Cas 11.8min 1369 11.7089 1364.4 3.4 scans 78% TIC 2.3% 0.0766% 534 1.3 88 10027 0.0983% 153787 141772 197169 0-1 0.949 11.79 -4.5 94 94 91 95 262 10.3 1.386 -0.076 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1024 Threonine 11.9004 1375.9 2.7 scans 90% TIC 1.2% 0.149% 553 0.8 132 18636 0.168% 299546 264958 336972 3-3 0.996 11.92 -1.2 99 98 97 98 320 12.4 0.892 -0.021 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1148 Glutamine?? 13.2798 1461.6 2.7 scans 81% 155 m/z 1.2% 0.0845% 684 1.0 102 19392 0.107% 169605 157560 214619 0-1 7: 155 156 139 229 100 74 131 0.986 13.35 -4.3 94 94 93 96 257 5.1 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1146 Malic acid 13.5513 1478.7 3.4 scans 98% TIC 0.020% 9.88% 709 0.4 1013 1155955 19818946 19573524 1-0 0.999 13.62 -4.1 100 100 99 100 350 27.3 0.073 -0.066 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1144 Contamination Parabanica acid 13.7396 1490.6 3.1 scans 39% 115 m/z 18% 0.0104% 727 1.1 35 1296 0.0120% 20965 20712 24069 0-1 4: 115 100 243 128 0.844 13.81 -4.2 81 84 67 83 243 15.4 19.314 -0.066 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1028 Aspartic acid 14.0121 1508.2 2.5 scans 32% 232 m/z (156) 0.87% 0.110% 753 1.2 123 26714 221846 220576 0-2 18: 232 233 218 100 234 188 202 216 306 219 220 292 101 132 130 203 235 102 0.737 14.02 -0.3 93 93 83 99 258 5.5 0.000 -0.005 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1140 Aspartic acid 14.0237 1508.9 3.3 scans 55% 73 m/z (156) 0.35% 0.378% 754 1.0 199 66643 759671 707471 1-1 20: 73 147 75 158 74 148 59 133 231 149 86 140 131 154 84 141 85 57 60 114 0.960 14.09 -4.2 90 91 91 94 349 7.5 0.140 -0.063 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0237 1508.9 3.3 scans 84% 73 m/z 0.22% 0.545% 754 1.0 245 102969 1094385 1019186 1-1 20: 73 147 75 158 74 148 59 133 231 149 86 140 131 154 84 141 85 57 60 114 0.903 14.03 -0.4 98 96 98 100 258 46.0 3.534 -0.006 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1138 Pyroglutamic acid 14.0269 1509.1 2.9 scans 54% 156 m/z (73) 0.20% 0.305% 755 0.9 190 111832 611895 594950 1-1 20: 156 147 157 258 230 158 148 59 72 259 231 58 86 140 55 121 260 112 66 84 0.928 14.11 -5.6 86 88 65 91 273 10.0 0.279 -0.083 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1134 GABA 14.1805 1519.3 2.5 scans 95% 174 m/z 0.27% 0.443% 769 1.2 247 83792 889757 838262 4-3 20: 174 73 304 147 175 305 176 86 75 59 306 216 100 143 133 246 74 130 172 148 1.000 14.24 -4.1 100 99 98 99 304 75.6 9.342 -0.062 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN EXBLK1-N1002 Contamination triHydroxy-Benzene 14.3246 1528.9 2.7 scans 42% 239 m/z 5.7% 0.0150% 783 1.0 46 4042 30267 30267 0-1 5: 239 342 344 240 343 0.903 14.37 -3.3 88 88 52 90 342 21.7 22.329 -0.049 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3583 1531.1 2.7 scans 78% 73 m/z 3.0% 0.0644% 786 0.8 81 7786 0.202% 129189 100853 405169 6-1 12: 73 292 147 220 205 293 217 117 221 103 148 294 0.986 14.62 -17.5 92 92 87 92 409 6.2 0.580 -0.263 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6108 1547.9 2.5 scans 98% 73 m/z 0.060% 2.47% 810 0.9 599 388263 4973826 4897260 0-1 20: 73 292 147 205 220 293 217 117 103 221 148 133 294 74 319 291 149 75 102 206 1.000 14.69 -5.3 100 99 99 99 409 45.5 0.578 -0.081 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3789 1598.8 2.8 scans 72% 217 m/z 2.6% 0.0322% 883 1.2 74 8702 0.191% 64779 64779 383105 0-0 7: 217 73 218 147 219 103 74 0.941 15.44 -4.2 86 85 82 89 393 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1036 Glutamic acic 15.4999 1607.1 2.6 scans 77% TIC 5.5% 0.0180% 895 0.9 50 4258 0.122% 36259 36259 244706 0-0 0.983 15.50 -0.3 96 96 94 97 363 3.7 0.562 -0.003 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1118 Phenylalanine 15.5989 1614.0 2.7 scans 79% 218 m/z (267) 2.2% 0.0696% 904 1.3 96 10401 139700 135530 1-1 9: 218 192 219 100 220 266 130 191 65 0.992 15.66 -4.2 95 96 92 98 294 7.1 0.556 -0.060 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1038 Xylose 15.8903 1634.3 >3 scans 62% TIC 7.3% 0.0135% 932 1.0 44 3169 0.0907% 27148 27148 181925 0-0 0.944 15.89 0.1 84 82 79 93 307 11.3 6.532 0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1040 Xylose 16.0029 1642.1 2.7 scans 85% TIC 1.8% 0.0819% 942 0.9 102 12744 0.121% 164381 155481 242700 2-1 0.992 16.00 -0.0 95 94 93 96 307 25.4 6.180 -0.001 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN A-AMYRIN-N1010 Contamination?? 16.2270 1657.6 2.7 scans 53% 290 m/z 5.0% 0.0138% 964 1.6 40 4636 27822 26144 1-1 3: 290 291 292 0.905 16.28 -3.5 90 89 61 94 392 7.9 4.023 -0.049 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1042 Ribose 16.3175 1663.9 3.1 scans 85% TIC 1.5% 0.130% 972 0.9 112 15508 0.255% 261539 239609 511475 3-2 0.988 16.10 14.9 95 93 93 97 307 32.6 8.507 0.214 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6121 1684.4 2.6 scans 80% TIC 4.7% 0.0387% 1000 1.4 76 4972 0.115% 77814 77814 230665 0-0 0.989 16.68 -4.4 95 95 89 96 497 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9246 1706.4 2.7 scans 72% TIC 5.3% 0.0221% 1030 1.2 68 4418 0.324% 44475 44475 649875 0-0 0.984 16.99 -4.7 90 90 85 90 422 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9962 1711.6 3.0 scans 75% 305 m/z 4.1% 0.0506% 1037 1.2 80 5678 0.189% 101657 95457 379093 1-2 9: 305 217 319 307 205 147 103 218 129 0.995 17.06 -4.9 87 87 82 88 510 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1096 Putrescine 17.1877 1725.6 2.6 scans 59% 174 m/z 1.7% 0.0341% 1055 1.1 70 13779 68441 67160 0-1 10: 174 175 214 86 176 172 200 361 146 130 0.998 17.25 -4.4 96 96 96 96 458 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1044 Putrescine 17.1877 1725.6 2.6 scans 62% 174 m/z (73) 1.6% 0.0359% 1055 1.1 71 13793 72033 70685 0-1 10: 174 175 214 86 176 172 200 361 146 130 0.982 17.19 -0.0 90 92 87 92 376 4.0 0.319 -0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3760 1739.3 2.8 scans 62% 333 m/z 5.3% 0.0277% 1073 1.0 60 4378 55677 53855 1-0 6: 333 292 334 103 307 293 0.978 17.44 -5.0 89 89 85 89 511 0.0 0.000 -0.067 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5643 1753.1 2.7 scans 91% TIC 0.56% 0.204% 1091 0.8 161 41182 0.609% 409294 388312 1221523 2-1 0.995 17.63 -4.9 95 94 93 95 450 26.0 2.603 -0.068 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6948 1762.6 2.8 scans 66% 334 m/z (217) 1.1% 0.174% 1103 1.0 146 19761 349064 323547 2-2 15: 334 204 256 335 375 255 336 285 167 166 267 201 151 244 216 0.967 17.70 -0.3 93 96 90 95 375 17.5 1.425 -0.004 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1086 Fructofuranose 18.0620 1789.4 3.1 scans 88% TIC 0.96% 0.187% 1138 2.1 138 24258 0.747% 375119 353545 1498322 2-0 0.994 18.13 -5.2 95 94 93 95 437 38.7 7.912 -0.072 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1046 Shikimic acid 18.1241 1794.0 2.5 scans 63% 204 m/z 0.90% 0.104% 1144 0.9 118 25831 0.134% 209089 176571 268775 3-7 15: 204 206 357 255 372 254 359 282 331 167 358 267 462 195 374 0.948 18.13 -0.0 93 94 86 94 372 15.6 1.750 -0.001 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1048 Citric acid 18.2472 1803.1 2.6 scans 71% 273 m/z 0.98% 0.197% 1156 1.1 158 23864 0.301% 396959 362520 603741 0-6 17: 273 147 347 375 363 274 465 348 275 149 376 364 148 211 305 257 231 0.982 18.24 0.3 97 95 94 99 465 24.0 2.311 0.003 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1078 UNKp_Cas Sugar 18.7min 18.5681 1827.5 5.3 scans 73% 217 m/z 3.3% 0.0599% 1186 2.5 68 7036 0.0655% 120154 117347 131379 1-2 3: 217 218 319 0.975 18.67 -7.8 86 86 82 87 319 14.1 4.323 -0.101 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1076 Pregnane?? 18.7775 1843.5 2.4 scans 97% 345 m/z 0.049% 2.87% 1206 0.9 645 475837 5774369 5506124 1-1 20: 345 73 255 346 147 347 334 204 256 191 419 257 435 133 74 372 148 348 75 239 0.999 18.86 -6.2 100 100 99 100 537 48.3 0.563 -0.080 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1074 Adenine 18.8796 1851.3 3.1 scans 35% 264 m/z 4.7% 0.0144% 1216 1.2 40 4902 0.0791% 28996 27462 158658 1-0 4: 264 265 279 266 0.990 18.94 -4.6 91 90 81 93 415 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1072 Fructose 18.9575 1857.2 2.7 scans 97% 73 m/z 0.031% 6.19% 1223 0.8 896 741938 12422646 11734652 2-1 20: 73 217 307 103 147 308 218 277 133 309 117 364 74 205 189 219 104 148 89 75 1.000 19.03 -5.8 100 98 99 100 364 98.8 1.220 -0.076 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1052 Fructose 19.0795 1866.6 2.6 scans 97% 73 m/z 0.039% 4.61% 1235 0.7 803 591215 4.70% 9258939 9048622 9427193 1-0 20: 73 217 307 103 147 308 218 277 309 364 205 74 133 117 89 262 148 219 189 104 1.000 19.10 -1.8 100 99 99 99 364 91.3 1.296 -0.024 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1054 Galactose 19.1942 1875.3 2.6 scans 61% 319 m/z (204) 2.1% 0.0682% 1246 1.1 98 11038 10.8% 136813 136813 21662485 0-0 5: 319 160 320 321 229 0.989 19.22 -1.7 89 90 88 93 376 0.0 0.000 -0.022 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1068 Galactopyranose 19.2195 1877.2 3.5 scans 82% TIC 0.58% 0.216% 1248 0.8 169 39861 12.5% 433802 433802 25072321 0-0 0.995 19.32 -7.3 96 95 94 96 435 13.4 0.632 -0.096 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1064 Mannose 19.2899 1882.6 2.6 scans 98% 319 m/z 0.022% 9.50% 1255 0.6 1123 1022597 19060798 18667818 6-0 20: 319 73 205 147 320 160 217 321 103 206 117 229 133 157 129 74 148 189 204 207 0.997 19.45 -12.6 100 99 99 100 319 437.8 15.254 -0.165 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1062 Glucose 19.5225 1900.4 3.0 scans 94% TIC 0.098% 2.03% 1277 0.7 490 238935 4088095 3937321 1-1 0.992 19.66 -10.7 99 98 98 98 319 175.1 12.773 -0.134 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7024 1914.8 2.5 scans 63% 319 m/z 8.3% 0.0160% 1294 1.1 50 2807 0.0353% 32149 31401 70804 0-1 2: 319 217 0.945 19.79 -7.1 82 82 75 86 434 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1056 Ascorbic acid 19.8929 1930.1 4.3 scans 67% TIC 5.7% 0.0268% 1312 0.6 56 4062 0.102% 53910 53910 204590 0-0 0.961 19.99 -7.6 84 85 78 84 449 5.1 0.820 -0.093 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN GUA35_L1-N1008 Glucopyranose 20.2790 1961.2 2.7 scans 89% 204 m/z 0.38% 0.391% 1349 1.1 230 60932 784935 741404 1-1 19: 204 73 191 147 205 206 192 129 189 74 133 148 193 149 435 291 131 203 231 0.962 20.41 -10.8 96 95 95 97 217 54.7 5.660 -0.135 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1052 Gluconic acid 2 20.5084 1979.6 2.6 scans 60% 292 m/z 8.2% 0.0204% 1371 0.8 52 2840 0.0440% 40948 37034 88255 0-1 3: 292 319 333 0.970 20.60 -7.1 82 83 77 83 613 0.0 0.000 -0.089 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN INOSIT~1-N1024 myo-Inositol 21.6658 2075.9 2.7 scans 98% 305 m/z 0.024% 11.4% 1481 0.6 1201 976167 22974071 22685474 0-1 20: 305 217 73 318 147 191 306 319 265 204 218 307 432 433 320 133 129 367 148 291 1.000 21.75 -7.0 100 100 99 100 507 97.9 0.665 -0.083 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8763 2093.6 3.3 scans 91% 319 m/z 0.90% 0.272% 1501 1.2 164 25831 546969 486241 1-2 20: 319 73 205 147 320 217 103 321 206 74 229 204 117 133 157 89 148 376 218 129 0.999 21.93 -4.5 97 96 95 97 656 0.0 0.000 -0.054 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1867 2120.5 3.8 scans 87% TIC 0.81% 0.275% 1530 1.6 163 28913 0.317% 552568 552568 635834 0-0 0.980 22.19 -0.0 97 97 89 96 396 73.6 20.404 0.001 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6780 2163.4 3.1 scans 88% 204 m/z 2.4% 0.0497% 1577 1.3 76 9532 0.0824% 99879 92897 165277 1-0 13: 204 73 205 147 249 217 361 206 117 191 129 74 103 0.989 22.71 -3.1 96 96 93 96 518 0.0 0.000 -0.036 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6604 2344.6 3.1 scans 94% 73 m/z 1.7% 0.153% 1765 0.7 123 13621 308555 307402 2-0 20: 73 217 191 331 205 262 307 421 319 305 103 148 423 74 259 333 149 320 218 192 1.000 24.65 1.0 95 95 92 95 466 7.0 0.322 0.010 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5385 2529.5 3.2 scans 82% TIC 4.2% 0.0499% 1944 1.1 76 5549 100187 98297 1-1 0.930 26.57 -3.6 93 93 80 93 512 28.3 14.035 -0.034 G:\GCMS data\Nicotiana Panel polar\TAB_REP3.FIN LQC1-N1014 Sucrose 27.3940 2618.5 3.8 scans 97% 361 m/z 0.0080% 23.7% 2025 0.4 1520 2894563 47699993 45468720 1-3 20: 361 73 362 217 437 363 147 271 451 103 438 169 129 218 243 319 191 439 331 452 1.000 27.49 -10.2 100 100 99 100 437 310.6 4.205 -0.096 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN EXBLK5S-N1006 Contamination 6.3899 1049.4 3.1 scans 68% 207 m/z 0.77% 0.0683% 29 1.3 117 32896 446604 285142 11-8 18: 207 73 295 208 209 191 296 297 193 279 192 189 133 247 263 177 119 265 0.975 6.63 -13.9 99 98 92 98 295 36.9 10.029 -0.235 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN BRA4_R~4-N1014 Lactic acid 6.9034 1079.8 17.6 scans 37% 117 m/z 6.3% 0.0186% 78 0.2 43 4021 0.0327% 121926 112205 213808 0-4 3: 117 147 191 0.932 6.82 4.9 92 92 89 97 295 3.6 0.698 0.082 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1194 Alanine 7.4326 1111.2 9.3 scans 67% TIC 1.3% 0.0715% 128 2.0 97 19293 0.158% 467888 466538 1033077 1-0 0.892 7.40 1.7 87 86 86 93 283 3.4 0.000 0.029 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN A-KETO~2-N1006 Contamination?? 7.9724 1143.2 2.4 scans 75% 156 m/z 1.5% 0.0198% 179 1.3 87 15924 129976 123363 1-1 7: 156 75 55 157 54 61 158 0.984 7.96 1.0 96 94 94 98 156 48.1 30.487 0.015 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1192 Contamination 8.0555 1148.1 2.6 scans 69% TIC 2.7% 0.0140% 187 1.3 79 9078 0.0345% 91538 80334 225577 1-0 0.972 7.99 3.9 95 95 91 95 235 15.5 3.791 0.067 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1188 Contamination 8.3922 1168.1 3.2 scans 78% 281 m/z 2.4% 0.0251% 219 1.6 77 10571 0.0258% 164387 126062 168692 8-10 11: 281 369 282 147 370 265 371 249 251 284 148 0.994 8.41 -1.3 98 97 82 99 369 23.4 9.249 -0.023 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1190 Contamination 8.5006 1174.5 2.8 scans 69% TIC 3.1% 0.0136% 229 1.2 65 8086 0.0508% 89443 77952 332154 3-1 0.951 8.48 1.0 88 87 82 94 309 6.1 0.890 0.017 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1184 Valine 9.2129 1216.5 2.8 scans 92% 144 m/z 0.25% 0.138% 297 0.8 196 99179 0.143% 906211 797134 935000 11-1 19: 144 73 218 145 147 219 100 146 220 74 59 133 132 246 148 128 114 203 149 0.995 9.19 1.5 99 98 98 99 218 56.5 8.348 0.025 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1178 Ethanolamine 10.0115 1263.2 3.7 scans 66% 174 m/z 1.6% 0.0226% 373 1.0 78 15631 0.0421% 147878 147878 275269 0-0 7: 174 175 100 86 176 202 130 0.959 10.03 -1.3 94 92 90 97 262 8.2 1.102 -0.022 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN VEN77_S6-N1002 Glycerol 10.1062 1268.8 2.9 scans 93% TIC 0.019% 1.65% 382 0.9 716 1279723 10827307 10559589 1-1 0.976 10.09 0.8 100 99 97 99 299 431.0 36.448 0.012 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LACTIC~1-N1034 Glycerol 10.1252 1269.9 3.1 scans 38% 205 m/z (299) 0.37% 0.170% 384 0.6 212 67782 0.178% 1113596 1053225 1163846 2-1 11: 205 117 218 206 204 175 129 217 101 293 220 0.908 10.11 0.9 95 99 94 98 293 13.4 0.398 0.015 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN A-AMYRIN-N1012 Contamination?? 10.2588 1277.7 2.6 scans 83% 73 m/z 1.1% 0.0275% 397 1.1 97 22079 180232 179741 1-0 13: 73 198 77 211 199 74 239 70 289 381 200 143 142 0.977 10.24 1.1 97 96 93 97 381 10.6 1.194 0.019 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1003 Isoleucine 10.4566 1289.3 2.7 scans 91% TIC 0.24% 0.138% 415 1.2 207 105739 0.678% 904242 773596 4433077 7-0 0.997 10.45 0.7 100 98 98 100 232 31.8 2.356 0.012 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1012 Proline 10.5461 1294.5 2.5 scans 97% TIC 0.056% 0.393% 424 0.7 371 451276 1.44% 2570289 2546313 9415384 1-0 1.000 10.53 0.7 100 98 99 100 216 67.7 3.339 0.013 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1014 Maleic acid 10.6113 1298.3 2.5 scans 92% 147 m/z 0.19% 0.138% 430 1.0 231 129373 0.919% 907662 874764 6008846 0-1 20: 147 73 245 148 75 83 149 133 246 74 115 143 170 59 84 215 58 126 66 247 0.994 10.60 0.5 100 98 99 100 245 53.9 5.450 0.009 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1170 Glycine 10.6786 1302.3 3.1 scans 68% TIC 1.3% 0.0175% 436 1.3 89 19380 1.06% 114707 114707 6930769 0-0 0.942 10.69 -0.5 97 98 88 97 276 14.4 2.611 -0.008 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN EXBLK5S-N1002 d4-Succinic acid 10.7555 1307.0 2.9 scans 91% TIC 0.051% 0.682% 444 1.1 441 490900 4461256 4240729 1-2 0.958 10.76 -0.1 99 99 97 99 251 101.7 5.344 -0.003 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1168 Glyceric acid 11.0406 1324.1 2.3 scans 98% 73 m/z 0.053% 0.932% 471 0.8 597 475833 6097647 6058680 2-0 20: 73 147 292 189 133 103 205 293 307 102 117 148 190 75 74 294 149 59 191 101 1.000 11.05 -0.8 100 100 99 100 292 183.8 9.481 -0.013 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0953 1327.4 >3 scans 67% TIC 6.5% 0.00875% 476 1.0 57 3876 0.674% 57231 57231 4406923 0-0 0.955 11.06 1.9 86 83 82 95 285 16.7 8.464 0.032 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1018 Uracil 11.1563 1331.1 2.5 scans 55% 241 m/z 7.2% 0.00563% 482 1.3 44 3510 36854 36424 0-2 7: 241 99 255 256 242 113 183 0.933 11.15 0.5 96 96 94 100 256 15.2 11.750 0.008 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1162 Fumaric acid 11.3731 1344.1 2.5 scans 95% 245 m/z 0.19% 0.176% 502 1.0 251 131913 1152915 1134839 1-1 20: 245 147 73 246 75 143 247 83 133 148 115 149 84 74 155 53 127 58 157 61 0.996 11.39 -1.2 100 98 98 99 245 138.4 30.431 -0.020 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4741 1350.2 2.9 scans 15% 57 m/z 1.0% 0.0311% 512 1.5 94 24889 0.0357% 203869 194559 233423 1-0 8: 57 97 115 145 127 109 111 129 0.947 11.45 1.7 85 87 72 86 145 31.6 11.362 0.028 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN WTF2-N1024 Contamination 10.96min 11.5025 1351.9 2.9 scans 77% 84 m/z (204) 0.054% 0.727% 515 0.8 458 469491 4754772 4597767 2-2 20: 84 133 161 162 119 92 51 65 82 118 85 78 63 130 134 91 120 117 77 52 0.983 10.96 32.9 89 91 96 99 161 113.6 6.157 0.547 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1020 Serine 11.5236 1353.2 4.6 scans 88% TIC 0.059% 0.710% 517 2.2 517 429502 1.30% 4645493 4645493 8500000 0-0 1.000 11.51 0.6 100 99 99 100 306 56.4 1.190 0.011 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1160 Serine 11.5267 1353.4 2.4 scans 87% 204 m/z (84) 0.059% 0.698% 517 0.9 513 428773 4567929 4527425 2-0 20: 204 73 218 205 147 100 219 188 278 206 75 306 220 74 116 59 189 148 216 203 0.985 11.56 -1.8 98 99 97 99 306 56.1 1.195 -0.030 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1022 Thymine 11.6077 1358.3 2.5 scans 85% 255 m/z 0.71% 0.0339% 525 1.0 113 35264 221690 220802 1-0 13: 255 270 256 73 257 271 269 120 196 272 114 181 183 0.982 11.60 0.5 98 96 90 100 270 35.9 10.108 0.009 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1024 Threonine 11.9297 1377.6 2.5 scans 97% 73 m/z 0.14% 0.377% 555 1.0 367 171016 2471410 2376242 1-1 20: 73 218 219 117 291 292 147 101 220 57 75 100 293 203 74 128 133 221 132 202 1.000 11.92 0.5 100 99 99 100 320 33.0 0.809 0.009 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1154 Threonine 12.0181 1383.0 2.6 scans 51% 219 m/z 9.2% 0.00506% 564 1.1 42 2735 33096 33096 1-0 5: 219 218 291 292 117 0.894 11.96 3.5 87 90 79 89 320 0.0 0.000 0.058 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1150 Citrulline 13.0324 1446.1 2.5 scans 54% 243 m/z (350) 7.4% 0.00929% 660 1.1 56 3388 60747 55525 2-2 8: 243 128 115 141 100 169 244 70 0.918 13.08 -2.7 85 89 78 88 258 8.0 2.066 -0.044 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1148 Glutamine?? 13.3018 1463.0 2.6 scans 94% 155 m/z 0.17% 0.183% 686 0.9 252 146686 1201353 1175177 1-1 20: 155 73 147 156 229 139 75 59 100 74 157 148 257 230 131 133 103 84 149 72 0.999 13.35 -2.9 99 98 99 99 257 21.0 0.698 -0.045 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1146 Malic acid 13.5375 1477.9 2.6 scans 97% 73 m/z 0.060% 0.728% 708 0.9 508 419513 4764939 4595917 1-1 20: 73 147 233 245 133 75 189 148 190 335 74 175 55 149 191 101 234 217 59 265 0.999 13.62 -4.9 100 99 99 99 350 12.3 0.058 -0.080 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1144 Contamination Parabanica acid 13.7542 1491.5 2.6 scans 89% 243 m/z 0.55% 0.134% 729 1.0 207 45993 0.154% 876596 789314 1006923 4-3 18: 243 115 100 128 244 116 201 59 158 72 101 245 70 131 117 142 102 215 0.993 13.81 -3.3 100 99 98 99 243 80.7 15.221 -0.052 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1028 Aspartic acid 14.0215 1508.8 2.5 scans 26% 232 m/z 0.43% 0.0593% 754 1.2 146 57798 388036 379466 0-1 16: 232 233 218 100 234 202 188 334 216 220 292 349 203 235 221 189 0.482 14.02 0.3 91 93 81 98 258 6.3 0.000 0.004 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1140 Aspartic acid 14.0215 1508.8 2.5 scans 27% 232 m/z (156) 0.44% 0.0631% 754 1.2 150 57446 412578 403466 0-1 16: 232 233 218 100 234 202 188 334 216 220 292 349 203 235 221 189 0.667 14.09 -4.3 91 95 54 95 349 11.0 0.542 -0.066 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0383 1509.9 3.6 scans 86% TIC 0.098% 0.424% 756 0.7 333 257997 2773483 2666048 1-1 0.912 14.03 0.6 99 98 98 99 258 64.7 3.780 0.008 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1138 Pyroglutamic acid 14.0404 1510.0 3.0 scans 90% 156 m/z 0.088% 0.381% 756 0.8 340 286602 2491643 2357762 1-1 20: 156 73 147 157 230 258 158 259 140 231 72 59 148 58 112 121 260 154 86 85 0.978 14.11 -4.7 99 98 97 99 273 14.9 0.192 -0.070 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1032 GABA 14.1930 1520.2 2.6 scans 94% 174 m/z 0.095% 0.462% 770 0.9 386 264389 3024553 2849244 4-3 20: 174 73 304 147 175 305 86 75 176 143 59 216 306 246 133 100 172 148 74 130 0.993 14.19 0.4 100 99 99 99 304 119.5 9.602 0.005 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3645 1531.5 2.6 scans 87% 73 m/z 0.66% 0.0784% 787 0.8 160 38016 0.249% 513000 469101 1628077 4-1 19: 73 292 147 220 205 293 217 117 103 294 221 148 74 133 102 149 291 218 206 0.989 14.62 -17.1 97 96 94 97 409 11.9 0.552 -0.257 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6359 1549.5 2.9 scans 98% 292 m/z 0.022% 3.04% 813 0.5 958 1105478 19881524 19290641 1-1 20: 292 73 147 220 205 293 217 117 294 103 221 148 319 291 133 74 149 206 102 75 0.998 14.69 -3.7 100 100 100 100 409 77.1 0.650 -0.056 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7433 1556.7 2.8 scans 51% 174 m/z (267) 0.91% 0.0379% 823 1.0 110 27801 0.0388% 247953 247150 253692 0-2 11: 174 86 175 176 250 100 59 130 65 251 116 0.962 14.16 38.4 87 91 92 99 250 21.1 3.699 0.578 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3809 1598.9 2.7 scans 74% 217 m/z 1.0% 0.0287% 883 1.4 109 25053 0.135% 188185 188185 882692 0-0 12: 217 73 218 147 219 215 103 74 133 117 189 148 0.968 15.44 -4.1 90 88 89 94 393 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1120 Glutamic acid 15.5061 1607.6 2.5 scans 73% 246 m/z 1.6% 0.0207% 895 1.2 86 14962 135700 133622 0-1 9: 246 247 128 248 230 100 363 84 56 0.971 15.56 -3.7 97 97 91 97 363 9.8 1.305 -0.054 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1118 Phenylalanine 15.6071 1614.6 2.6 scans 70% 218 m/z 0.47% 0.0993% 905 1.1 182 53732 649781 600850 1-2 13: 218 192 219 91 100 266 220 65 294 132 160 162 118 0.860 15.66 -3.6 93 96 83 96 294 14.5 0.634 -0.052 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1038 Xylose 15.8902 1634.2 3.4 scans 71% 73 m/z 1.7% 0.0363% 932 2.1 96 14505 0.219% 237637 225382 1431923 2-1 14: 73 103 217 307 147 308 160 189 277 219 133 309 104 105 0.934 15.89 0.0 93 90 90 97 307 26.2 7.430 0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1040 Xylose 16.0070 1642.4 2.7 scans 88% 73 m/z 0.35% 0.149% 943 0.9 221 70913 0.201% 976682 916140 1314231 2-1 20: 73 103 307 217 308 189 160 277 218 133 204 309 205 104 117 219 105 89 234 129 0.923 16.00 0.3 96 93 95 99 307 57.6 6.774 0.003 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1042 Ribose 16.1048 1649.2 2.8 scans 86% TIC 0.94% 0.0510% 952 0.9 133 26889 0.192% 333548 314527 1255385 1-0 0.990 16.10 0.2 96 94 95 98 307 37.7 8.080 0.002 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN A-AMYRIN-N1010 Contamination?? 16.2279 1657.7 2.8 scans 38% 290 m/z 2.8% 0.00751% 964 1.8 44 8840 49113 42276 1-6 5: 290 291 392 292 158 0.963 16.28 -3.4 92 91 58 93 392 9.6 4.637 -0.048 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1108 Ribose 16.3195 1664.1 2.9 scans 72% 73 m/z 1.1% 0.0539% 972 0.6 119 21359 0.0618% 352591 330952 404077 2-0 20: 73 103 307 217 308 147 277 189 104 160 309 218 105 89 278 133 129 233 148 219 0.955 16.38 -3.8 93 94 90 95 467 0.0 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6162 1684.7 2.6 scans 88% 73 m/z 0.68% 0.0815% 1001 1.1 175 36930 0.119% 533406 507742 778077 1-0 20: 73 307 319 147 217 103 308 320 205 306 129 321 218 229 309 277 148 117 317 133 0.994 16.68 -4.1 100 99 98 99 497 5.1 0.084 -0.060 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9276 1706.6 3.4 scans 67% TIC 2.4% 0.0191% 1030 1.8 90 10453 0.332% 125307 125307 2170769 0-0 0.969 16.99 -4.5 93 93 90 93 422 4.3 0.230 -0.061 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9981 1711.8 3.1 scans 83% 73 m/z 1.1% 0.0577% 1037 1.2 132 21183 0.292% 377510 345675 1909231 0-4 20: 73 305 217 147 319 205 307 103 306 129 189 277 218 204 219 320 148 308 74 206 0.995 17.06 -4.7 93 92 91 93 510 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1096 Putrescine 17.1907 1725.8 2.6 scans 72% 174 m/z 0.27% 0.0827% 1055 1.2 165 90941 541331 532311 1-1 19: 174 175 214 176 172 86 200 361 146 130 100 173 215 142 99 187 126 362 376 0.994 17.25 -4.2 98 96 96 99 458 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1044 Putrescine 17.1907 1725.8 2.6 scans 83% 174 m/z (73) 0.28% 0.0966% 1055 1.2 177 90128 632222 621687 1-1 19: 174 175 214 176 172 86 200 361 146 130 100 173 215 142 99 187 126 362 376 0.996 17.19 0.2 97 97 97 99 376 12.7 0.510 0.003 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3864 1740.1 3.7 scans 71% TIC 1.0% 0.0602% 1074 1.1 131 25204 0.0688% 394162 394162 449846 0-0 0.899 17.44 -4.2 97 97 95 98 511 8.6 0.429 -0.057 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5716 1753.6 2.9 scans 90% 217 m/z 0.12% 0.343% 1092 0.7 316 209801 0.815% 2245306 2129909 5328846 2-3 19: 217 73 218 147 450 219 305 232 74 191 451 133 257 148 169 129 452 149 220 0.982 17.63 -4.4 97 96 97 97 450 47.9 2.300 -0.060 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.7063 1763.5 2.9 scans 88% TIC 0.16% 0.469% 1104 1.0 368 152113 0.721% 3069103 3069103 4714231 0-0 0.966 17.70 0.6 99 99 95 99 375 43.9 1.422 0.007 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1084 Shikimic acid 18.1303 1794.4 2.7 scans 38% 204 m/z 0.35% 0.0753% 1145 0.9 154 72294 0.0940% 492837 447355 614615 2-4 19: 204 357 372 255 254 462 282 447 358 373 283 448 195 463 356 239 181 141 180 0.691 18.20 -4.8 96 96 92 98 462 16.3 1.122 -0.067 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1046 Shikimic acid 18.1335 1794.6 3.7 scans 78% 73 m/z (333) 0.42% 0.193% 1145 1.1 221 59084 0.452% 1265038 1265038 2955384 0-0 20: 73 205 147 206 372 462 282 447 359 373 256 207 148 448 75 74 193 195 243 463 0.924 18.13 0.6 89 88 87 98 372 22.3 1.016 0.008 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1048 Citric acid 18.2482 1803.1 2.5 scans 71% 273 m/z 0.83% 0.0796% 1156 1.0 166 30340 0.0851% 520654 491587 556423 4-1 13: 273 375 347 363 274 465 275 211 466 376 348 142 364 0.986 18.24 0.3 97 96 94 100 465 26.5 2.557 0.004 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1082 Citric acid 18.2503 1803.3 4.0 scans 70% TIC 0.71% 0.0915% 1156 1.6 165 35711 0.434% 598853 598853 2837692 0-0 0.913 18.32 -5.4 96 95 92 97 465 24.5 2.196 -0.071 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1076 Pregnane?? 18.7995 1845.2 3.3 scans 98% 345 m/z 0.013% 4.27% 1208 0.6 1078 1828311 27964626 27697003 1-0 20: 345 73 346 255 147 347 334 256 191 204 435 419 372 133 257 348 239 148 74 537 1.000 18.86 -4.5 100 100 99 100 537 84.8 0.622 -0.058 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1074 Adenine 18.8816 1851.5 3.0 scans 39% 264 m/z 2.4% 0.00946% 1216 1.6 53 10382 0.138% 61907 60712 902308 1-0 6: 264 265 279 266 192 280 0.977 18.94 -4.4 94 94 84 94 415 0.0 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1050 Fructose 18.9868 1859.5 6.0 scans 90% 73 m/z (366) 0.019% 8.01% 1226 1.0 1120 1323375 52408004 50947121 1-1 20: 73 307 217 103 147 308 277 218 309 133 364 205 189 74 117 219 104 89 148 75 0.994 18.98 0.5 96 97 97 97 364 125.6 1.261 0.007 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1072 Fructose 18.9868 1859.5 6.0 scans 97% 73 m/z 0.017% 8.44% 1226 1.0 1162 1469064 55219241 53679994 1-1 20: 73 307 217 103 147 308 277 218 309 133 364 205 189 74 117 219 104 89 148 75 1.000 19.03 -3.5 100 98 99 100 364 135.0 1.355 -0.046 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1052 Fructose 19.1299 1870.4 6.0 scans 96% TIC 0.023% 5.92% 1240 0.4 990 1067372 32.6% 38770928 38216833 213153837 0-9 0.998 19.10 2.0 100 99 100 100 364 116.0 1.376 0.026 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1070 Fructose 19.1299 1870.4 6.0 scans 87% 73 m/z (310) 0.022% 5.62% 1240 0.4 942 1114611 13.6% 36800369 34603833 88923073 2-2 20: 73 307 217 103 147 308 277 218 364 309 205 133 262 74 117 89 219 148 104 189 0.994 19.19 -4.9 93 94 94 95 554 56.4 0.359 -0.064 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1056 Glucose 19.3488 1887.1 8.8 scans 76% 291 m/z 0.013% 11.4% 1261 0.4 1282 1945668 14.9% 75102233 73735111 97423073 1-0 11: 291 71 305 317 203 301 304 264 176 260 359 1.000 19.33 1.3 100 99 99 99 364 93.8 0.538 0.017 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1064 Mannose 19.3666 1888.5 8.6 scans 95% 320 m/z 0.011% 18.0% 1262 0.3 1442 2299508 117820449 116270280 0-1 20: 320 321 305 274 306 232 365 308 186 343 293 375 290 270 480 351 389 280 200 288 0.998 19.45 -6.7 100 99 98 100 319 577.7 16.104 -0.088 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN BRA4_R~2-N1004 Galactose 19.3719 1888.9 8.1 scans 78% 73 m/z (273) 0.010% 14.4% 1263 0.2 1346 2397607 14.8% 94347301 94347301 96769227 0-0 20: 73 319 205 147 160 217 103 117 206 74 133 157 229 129 75 148 161 189 204 89 0.961 19.36 0.8 90 92 87 94 364 87.2 0.421 0.011 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1066 Glucose 19.3814 1889.6 >2 scans 33% 466 m/z 0.017% 0.988% 1264 1.8 703 1490282 4.75% 6463798 6463798 31057691 0-0 20: 466 464 390 333 377 358 359 342 303 449 349 420 350 405 272 524 409 408 481 402 0.998 19.40 -1.3 83 82 61 85 319 465.1 44.223 -0.018 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1059 Glucose 19.5823 1905.2 3.4 scans 94% 319 m/z 0.016% 5.62% 1283 0.4 1192 1552671 36803429 35638120 1-1 19: 319 73 205 147 320 160 217 103 321 206 133 117 229 74 157 129 204 148 89 0.993 19.55 2.5 100 99 99 99 376 51.7 0.189 0.030 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1061 Lysine 19.6265 1908.7 >3 scans 74% TIC 0.90% 0.0813% 1287 2.9 168 27980 4.82% 531835 479623 31515383 0-2 0.989 19.61 1.1 84 78 78 97 434 17.7 1.118 0.014 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1060 Lysine 19.6276 1908.8 3.0 scans 45% 174 m/z 1.0% 0.0532% 1287 1.2 131 23272 0.199% 348060 322102 1301154 0-1 19: 174 317 156 128 318 230 88 434 86 200 100 115 329 130 419 228 435 114 112 0.986 19.69 -5.3 91 90 88 93 479 0.0 0.000 -0.065 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7307 1917.1 3.1 scans 60% 73 m/z 2.1% 0.0189% 1297 1.1 95 11634 0.139% 123594 123594 908846 0-0 11: 73 319 205 147 244 320 307 217 117 321 89 0.976 19.79 -4.8 91 90 89 93 434 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN N406_R~2-N1016 Galacturonic acid 19.7886 1921.8 2.7 scans 24% 333 m/z 3.1% 0.00844% 1302 1.2 52 8086 0.0148% 55226 52779 96769 1-1 4: 333 334 335 364 0.995 19.79 -0.3 91 91 84 93 423 7.1 1.862 -0.004 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN GLAU_R~4-N1011 UNKp_Ntb Sugar 20.3min 1963 20.3063 1963.4 2.7 scans 94% 73 m/z 0.15% 0.436% 1351 0.9 377 168557 2850959 2850959 0-0 20: 73 217 147 394 103 307 333 395 218 205 433 277 308 74 148 305 189 221 117 393 0.983 20.30 0.7 100 99 99 99 433 42.4 1.263 0.008 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1052 Gluconic acid 2 20.5188 1980.4 2.9 scans 58% 292 m/z (204) 2.1% 0.0386% 1372 0.9 105 11539 0.0815% 252434 252434 532885 0-0 10: 292 319 333 293 294 321 359 334 435 331 0.963 20.60 -6.3 89 91 86 91 613 0.0 0.000 -0.078 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1054 Gluconic acid 3 20.7345 1997.8 2.6 scans 37% 292 m/z 7.2% 0.0132% 1392 1.1 68 3507 0.0209% 86748 84331 136654 1-0 10: 292 333 305 334 293 435 306 433 335 110 0.507 20.55 14.9 85 87 44 87 613 0.0 0.000 0.186 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN WTF2-N1038 C16:0 21.1438 2032.1 2.8 scans 71% 313 m/z 2.7% 0.0234% 1431 1.3 87 9153 0.0246% 153077 138637 160846 1-2 12: 313 117 132 75 314 129 145 55 57 315 118 131 0.962 20.62 43.8 87 93 87 94 328 10.6 1.504 0.527 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN INOSIT~1-N1024 myo-Inositol 21.7067 2079.4 6.2 scans 93% 433 m/z 0.012% 14.3% 1485 0.2 1478 1988874 93588590 93511990 1-0 20: 433 434 507 321 435 395 309 436 194 421 396 612 162 511 346 371 614 126 315 66 0.997 21.75 -3.5 100 100 99 100 507 114.3 0.600 -0.042 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1042 myo-Inositol 21.7130 2079.9 6.1 scans 92% 432 m/z (393) 0.011% 13.7% 1485 0.2 1470 2159436 89593281 89125470 1-0 20: 432 320 74 149 75 308 394 369 220 59 379 344 322 268 345 331 55 150 87 370 0.991 21.77 -5.2 94 95 96 98 318 415.0 7.987 -0.061 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN INOSIT~1-N1022 myo-Inositol 21.7130 2079.9 6.1 scans 14% 432 m/z (305) 0.10% 2.20% 1485 0.2 590 245904 14435219 14359845 1-0 20: 432 320 74 149 75 308 394 369 220 59 379 344 322 268 345 331 55 150 87 370 0.620 21.74 -2.4 92 93 81 99 507 114.3 3.756 -0.028 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8646 2092.7 3.3 scans 93% TIC 0.27% 0.336% 1500 1.3 283 92774 14.1% 2200011 2036782 92192304 3-3 0.996 21.93 -5.4 97 95 97 99 656 6.6 0.055 -0.065 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1971 2121.4 2.7 scans 95% 396 m/z 0.12% 0.462% 1531 0.9 400 201797 3025024 2872845 1-3 20: 396 219 73 397 381 398 191 220 307 382 319 249 293 147 75 74 205 221 383 399 1.000 22.19 0.9 97 95 92 99 396 171.1 18.289 0.011 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6611 2161.9 3.2 scans 92% 204 m/z 0.43% 0.108% 1575 1.3 177 58059 0.195% 709782 672647 1275000 2-0 20: 204 73 205 217 147 249 206 117 131 361 191 218 74 75 129 219 103 189 148 133 0.998 22.71 -4.6 93 89 93 99 518 0.0 0.000 -0.053 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN BRA4_R~4-N1012 Spermidine 22.8978 2182.6 3.1 scans 48% 174 m/z 10% 0.00677% 1598 1.7 42 2342 0.00855% 44310 38384 55904 1-0 6: 174 200 201 86 172 418 0.847 22.90 -0.2 95 97 81 99 418 7.7 3.410 -0.002 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.1588 2205.6 2.8 scans 86% 73 m/z 1.5% 0.0559% 1623 1.1 134 16433 0.0858% 365834 344862 561000 4-3 20: 73 169 143 231 211 156 81 75 121 170 93 107 183 195 141 117 147 181 55 196 0.987 23.28 -11.2 82 80 63 87 450 6.6 0.239 -0.122 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN WTF2-N1036 C18:0 23.3955 2227.3 3.6 scans 77% TIC 5.4% 0.0159% 1645 1.7 63 4620 0.0719% 104343 104343 470115 0-0 0.991 22.89 45.5 86 93 84 92 356 9.0 2.026 0.507 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN BRA4_R~2-N1006 Spermidine 23.5049 2237.3 3.0 scans 78% 144 m/z 3.0% 0.0306% 1655 1.2 96 8391 0.0307% 200307 197999 200731 0-1 19: 144 174 116 156 160 86 172 170 142 157 100 201 175 145 130 59 146 115 214 0.995 23.51 -0.4 96 94 95 99 490 8.5 0.782 -0.004 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1028 Glycerolgalactose 24.1205 2293.6 3.0 scans 69% 204 m/z 4.2% 0.00825% 1714 1.8 54 5958 0.0388% 53992 53244 253692 1-0 6: 204 73 337 147 205 217 0.963 24.01 10.1 85 85 82 89 490 0.0 0.000 0.110 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6487 2343.5 3.1 scans 94% 73 m/z 0.20% 0.396% 1764 1.2 348 125193 0.505% 2593062 2518747 3301923 0-2 20: 73 147 331 191 217 421 262 307 103 205 319 332 305 259 192 422 333 204 308 74 1.000 24.65 -0.1 97 95 97 100 466 21.1 0.367 -0.001 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN GUA35_L1-N1030 UNKp_Cas 24.8min RI2358 24.7434 2352.5 2.7 scans 82% 73 m/z 1.8% 0.0337% 1773 1.2 115 13621 0.425% 220529 218464 2778846 1-0 20: 73 217 147 292 375 305 103 218 205 219 451 293 191 306 148 275 129 376 131 363 0.993 24.81 -5.9 91 91 89 91 451 12.4 1.162 -0.062 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN NP_TAB~1-N1014 Ntb_Disaccharide 26.4min 26.3511 2510.1 3.0 scans 88% TIC 0.62% 0.0777% 1926 1.7 151 40426 0.446% 508047 465623 2916154 3-0 0.996 26.35 0.1 92 92 92 92 495 29.3 3.763 0.001 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4427 2519.6 3.3 scans 85% TIC 0.61% 0.145% 1935 0.6 188 41259 0.429% 950892 950892 2805000 0-0 0.978 26.52 -8.0 96 95 92 95 740 25.3 1.810 -0.078 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5310 2528.7 2.8 scans 35% 512 m/z 1.9% 0.0307% 1943 1.0 101 13146 200930 192098 1-1 19: 512 455 513 247 456 483 514 57 349 457 263 497 248 484 353 409 424 423 498 0.929 26.57 -4.4 94 94 63 94 512 43.7 18.654 -0.042 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN WTF2-N1028 C16:0-glycerol 26.9014 2567.0 3.2 scans 49% TIC 5.8% 0.00348% 1978 1.2 48 4326 0.0296% 22804 22804 193538 0-0 0.917 26.39 52.4 82 92 72 92 459 7.7 2.558 0.507 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1020 Sucrose 27.4054 2619.7 6.2 scans 10% 437 m/z (362) 0.045% 1.39% 2026 0.3 461 553099 9147269 9003801 1-1 20: 437 451 438 439 452 204 365 207 450 175 435 132 289 334 292 234 185 263 467 433 0.800 27.46 -5.9 95 97 95 99 437 283.3 37.944 -0.056 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1010 Sucrose 27.4054 2619.7 6.2 scans 99% 437 m/z 0.0079% 13.2% 2026 0.3 1427 3193213 86571271 85213466 1-1 20: 437 451 438 439 452 204 365 207 450 175 435 132 289 334 292 234 185 263 467 433 0.998 27.58 -18.5 100 99 98 99 437 282.5 3.949 -0.174 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1018 Sucrose 27.4160 2620.8 5.9 scans 42% 362 m/z (361) 0.010% 5.71% 2027 0.3 945 2536340 37396269 36614310 1-1 20: 362 332 333 159 346 260 150 161 366 294 275 373 349 374 249 261 323 194 125 200 0.970 27.47 -5.7 81 83 52 83 437 283.3 9.062 -0.054 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN TAB_REP6-N1070 Sucrose 27.4160 2620.8 5.9 scans 91% 362 m/z (437) 0.0084% 12.2% 2027 0.3 1385 3015869 80247860 78569872 1-1 20: 362 332 333 159 346 260 150 161 366 294 275 373 349 374 249 261 323 194 125 200 1.000 27.41 0.7 89 86 73 98 451 0.0 0.000 0.006 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1016 Sucrose 27.4202 2621.3 5.8 scans 52% 361 m/z (362) 0.016% 7.00% 2028 0.3 1069 1512503 45817887 43944675 1-1 20: 361 73 217 147 271 103 169 129 218 243 319 191 74 219 189 331 272 133 205 230 0.908 27.48 -6.0 83 83 91 94 437 16.7 0.000 -0.057 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1008 Sucrose 27.4202 2621.3 5.8 scans 97% 361 m/z 0.0077% 12.6% 2028 0.3 1456 3280838 82934640 79543952 1-1 20: 361 73 217 147 271 103 169 129 218 243 319 191 74 219 189 331 272 133 205 230 0.999 27.59 -18.2 100 99 98 99 437 282.9 3.801 -0.171 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN LQC1-N1006 Trehalose 28.3619 2722.9 2.8 scans 61% 361 m/z 3.5% 0.00958% 2117 1.4 54 7224 0.0275% 62660 55421 179808 0-2 5: 361 362 191 363 271 0.963 28.47 -12.0 92 92 80 92 565 0.0 0.000 -0.106 G:\GCMS data\Nicotiana Panel polar\TAB_REP4.FIN GUA35_L1-N1020 Galactinol 30.1527 2925.7 2.8 scans 91% 204 m/z 1.3% 0.0308% 2287 1.1 99 18960 0.0374% 201455 189282 244538 0-2 20: 204 73 217 205 191 361 147 206 305 306 243 103 318 343 148 641 362 319 192 149 1.000 30.55 -46.7 89 94 94 95 641 8.4 0.712 -0.392 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN EXBLK5S-N1006 Contamination 6.3394 1046.4 10.9 scans 52% 207 m/z 2.2% 0.108% 24 1.1 69 11509 0.149% 441918 346043 606666 3-7 3: 207 295 296 0.992 6.63 -16.9 96 96 89 96 295 22.7 10.774 -0.286 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1194 Alanine 7.4063 1109.6 13.0 scans 56% TIC 2.5% 0.0547% 125 1.7 67 9984 0.129% 222825 222825 525234 0-0 0.913 7.40 0.1 90 91 87 93 283 5.7 0.720 0.002 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN A-KETO~2-N1006 Contamination?? 7.9534 1142.1 2.5 scans 71% 156 m/z 2.7% 0.0224% 177 1.1 71 9348 91431 85712 1-1 6: 156 55 157 54 61 76 0.978 7.96 -0.1 98 98 95 98 156 38.0 28.755 -0.004 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1192 Contamination 8.0355 1146.9 2.5 scans 60% 147 m/z 5.6% 0.0113% 185 1.7 56 4555 0.0313% 46078 44409 127441 2-0 8: 147 73 133 220 235 146 59 148 0.881 7.99 2.7 93 94 87 93 235 11.4 4.094 0.046 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1188 Contamination 8.3732 1166.9 4.2 scans 79% 281 m/z 2.5% 0.0546% 217 1.3 79 10159 0.0649% 222630 165029 264246 6-0 10: 281 147 73 282 369 283 265 370 249 207 0.992 8.41 -2.5 98 98 83 99 369 22.7 8.241 -0.042 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1184 Valine 9.1992 1215.7 3.2 scans 84% 144 m/z 0.89% 0.0821% 296 0.5 108 28785 0.102% 334639 261311 415301 7-14 12: 144 73 218 145 147 100 146 59 114 128 132 148 0.995 9.19 0.7 99 98 96 98 218 32.1 8.794 0.011 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1180 Benzoic acid 9.7621 1248.6 2.6 scans 69% 179 m/z 6.1% 0.0134% 349 1.0 54 4193 54780 49953 1-1 6: 179 105 135 77 180 202 0.978 9.76 0.1 82 76 78 96 194 6.7 1.534 0.003 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1178 Ethanolamine 9.9978 1262.4 4.3 scans 75% TIC 2.8% 0.0294% 372 0.9 63 8934 1.32% 119766 109327 5374488 7-0 0.967 10.03 -2.1 92 91 87 95 262 7.4 1.384 -0.036 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN VEN77_S6-N1002 Glycerol 10.0936 1268.0 2.6 scans 93% TIC 0.032% 1.55% 381 1.0 591 804486 6314235 6185758 1-1 0.968 10.09 0.0 100 99 98 100 299 352.6 35.715 -0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LACTIC~1-N1034 Glycerol 10.1125 1269.1 3.8 scans 52% 205 m/z (299) 0.59% 0.200% 383 0.7 174 43707 0.207% 817035 758969 842817 3-1 9: 205 117 218 206 175 129 219 293 217 0.964 10.11 0.1 98 100 100 100 293 11.0 0.398 0.003 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN A-AMYRIN-N1012 Contamination?? 10.2493 1277.1 2.7 scans 67% 73 m/z 3.9% 0.0109% 396 1.0 50 6478 44615 42251 1-1 5: 73 198 211 77 70 0.954 10.24 0.5 86 85 83 88 381 0.0 0.000 0.009 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1003 Isoleucine 10.4450 1288.6 2.7 scans 87% TIC 0.60% 0.0914% 414 1.2 135 42473 0.453% 372396 315056 1844427 7-0 0.996 10.45 -0.0 100 100 100 100 232 21.2 2.475 0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1012 Proline 10.5334 1293.8 2.8 scans 93% TIC 0.18% 0.215% 423 0.6 212 136404 1.15% 875697 875697 4682319 0-0 0.998 10.53 -0.0 100 100 100 100 216 38.8 3.338 0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1014 Maleic acid 10.6018 1297.8 2.5 scans 90% 147 m/z 0.36% 0.129% 429 1.1 183 71684 0.780% 529035 509311 3175834 0-2 20: 147 73 245 148 75 83 149 115 74 246 143 133 84 126 66 59 54 170 155 55 0.982 10.60 -0.0 100 100 100 100 245 41.2 5.079 -0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1170 Glycine 10.6702 1301.8 3.9 scans 64% TIC 2.4% 0.0149% 436 1.3 68 10702 0.819% 60851 60851 3334626 0-0 0.992 10.69 -1.0 91 91 85 91 276 11.0 2.610 -0.017 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN EXBLK5S-N1002 d4-Succinic acid 10.7417 1306.1 2.9 scans 92% TIC 0.095% 0.656% 442 1.3 345 271143 0.679% 2671975 2570739 2764604 2-1 0.964 10.76 -1.0 99 98 97 99 251 77.2 5.016 -0.016 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1168 Glyceric acid 11.0343 1323.7 2.4 scans 97% 73 m/z 0.055% 1.50% 470 0.8 599 464889 6115157 5929055 1-1 20: 73 147 292 189 133 103 205 293 117 190 148 102 307 75 74 59 294 149 191 101 0.998 11.05 -1.2 100 100 99 100 292 179.0 8.935 -0.020 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN NP_TAB~1-N1030 UNKnp_Ntb 11.1min 1326 11.0858 1326.8 >2 scans 66% TIC 10% 0.00823% 475 1.7 51 2542 1.05% 33538 33249 4275161 0-1 0.950 11.06 1.3 90 90 85 94 285 15.1 8.733 0.023 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1018 Uracil 11.1479 1330.6 2.4 scans 46% 241 m/z 15% 0.00384% 481 1.1 31 1674 0.00402% 15643 15643 16368 0-0 4: 241 99 256 255 1.000 11.15 -0.0 97 100 100 100 256 11.4 13.510 -0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1162 Fumaric acid 11.3646 1343.6 2.5 scans 93% 245 m/z 0.43% 0.138% 502 1.0 180 59853 563448 538294 3-0 19: 245 73 147 246 75 143 83 247 148 133 115 155 149 84 53 59 127 74 61 0.996 11.39 -1.7 97 96 96 97 245 96.2 28.499 -0.028 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN NP_TAB~1-N1032 UNKnp_Butyl caprylate 11.4646 1349.6 3.1 scans 17% 57 m/z (84) 1.5% 0.0406% 511 1.3 83 16203 0.0456% 165510 147726 185664 2-0 9: 57 97 115 127 129 69 111 109 71 0.913 11.45 1.1 85 87 84 92 145 25.5 9.524 0.019 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN WTF2-N1024 Contamination 10.96min 11.4877 1351.0 3.0 scans 87% 84 m/z 0.10% 0.601% 513 0.9 340 251993 2448917 2330791 2-2 20: 84 133 161 162 119 92 51 118 65 82 85 78 63 130 134 91 50 64 52 104 0.982 10.96 32.0 93 95 95 98 161 82.4 5.891 0.532 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1020 Serine 11.5130 1352.6 >2 scans 89% TIC 0.14% 0.491% 516 2.2 349 174552 1.06% 2003135 1952594 4315877 0-1 1.000 11.51 -0.0 100 100 100 100 306 35.9 1.057 -0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1160 Serine 11.5151 1352.7 2.4 scans 88% 204 m/z (84) 0.14% 0.493% 516 0.9 346 173367 2011300 1915140 3-1 20: 204 73 218 205 147 100 219 278 188 206 75 74 306 220 116 59 189 203 148 216 0.997 11.56 -2.5 98 99 98 99 306 35.7 1.066 -0.042 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1022 Thymine 11.5993 1357.8 2.7 scans 75% 255 m/z 2.1% 0.0175% 524 1.1 66 12101 0.126% 71589 71413 513019 1-0 9: 255 270 256 73 257 271 269 120 196 0.972 11.60 -0.0 100 100 100 100 270 21.6 10.791 0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1024 Threonine 11.9213 1377.1 2.5 scans 96% TIC 0.38% 0.233% 555 0.9 228 67333 952516 934310 5-0 0.999 11.92 0.0 100 100 100 100 320 20.5 0.811 0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1148 Glutamine?? 13.2870 1462.1 2.7 scans 89% 155 m/z 0.81% 0.0660% 684 1.0 121 31920 0.0850% 268768 256241 346084 0-2 17: 155 73 147 156 139 229 157 59 100 84 74 148 56 72 131 257 103 0.998 13.35 -3.8 97 96 96 98 257 9.3 0.589 -0.060 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1146 Malic acid 13.5332 1477.6 2.4 scans 98% 73 m/z 0.063% 1.02% 708 0.8 502 405757 4177601 4177601 0-0 20: 73 147 233 245 133 75 148 189 190 191 175 74 335 55 149 101 234 59 217 265 0.999 13.62 -5.2 100 99 98 99 350 11.4 0.052 -0.084 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1144 Contamination Parabanica acid 13.7426 1490.8 3.1 scans 73% TIC 3.4% 0.0290% 728 0.8 86 7428 0.927% 118339 118339 3774356 0-0 0.921 13.81 -4.0 93 93 90 94 243 32.5 14.262 -0.063 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1028 Aspartic acid 14.0172 1508.5 2.5 scans 16% 232 m/z (156) 1.1% 0.0387% 754 1.0 95 21883 157666 149725 1-1 9: 232 233 100 218 234 202 188 216 219 0.684 14.02 0.0 98 100 100 100 258 6.2 0.000 0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1030 Pyroglutamic acid 14.0277 1509.2 3.2 scans 87% TIC 0.24% 0.279% 755 1.0 228 105630 1136261 1090838 1-1 0.915 14.03 -0.1 100 98 99 100 258 42.9 3.554 -0.002 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1134 GABA 14.1877 1519.8 2.5 scans 95% 174 m/z 0.14% 0.466% 770 0.9 339 184430 1898214 1776855 3-3 20: 174 73 304 147 175 305 75 86 176 59 216 143 306 100 246 172 133 148 130 74 0.999 14.24 -3.6 100 98 98 99 304 101.2 8.919 -0.054 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1034 Erythronic acid/Threonic acid 14.3602 1531.2 2.6 scans 92% TIC 0.89% 0.108% 786 0.9 141 28911 0.599% 443294 362773 2438878 7-1 0.998 14.62 -17.4 98 97 96 97 409 10.7 0.580 -0.261 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1130 Erythronic acid/Threonic acid 14.6212 1548.6 2.5 scans 98% 73 m/z 0.035% 2.36% 811 0.8 747 724194 9631753 9346817 1-1 20: 73 292 147 220 205 293 217 117 103 148 221 294 133 74 319 75 149 102 291 206 1.000 14.69 -4.6 100 99 99 99 409 54.6 0.536 -0.071 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN WTF2-N1046 UNKnp_Ntb 14.2min 1518 14.7380 1556.3 2.8 scans 31% 174 m/z (267) 1.8% 0.0297% 822 1.0 80 14232 121237 118388 0-1 6: 174 175 86 176 250 100 0.930 14.16 38.0 90 97 90 98 250 15.4 3.699 0.573 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1124 UNKp_Cas Sugar alcohol 15.4min 15.3788 1598.8 2.6 scans 79% 217 m/z 1.2% 0.0396% 883 1.1 107 21370 0.129% 161462 161462 525234 0-0 11: 217 73 218 219 215 103 133 74 189 230 149 0.963 15.44 -4.2 92 90 89 94 393 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1036 Glutamic acic 15.5029 1607.4 2.6 scans 68% TIC 5.2% 0.0120% 895 0.6 50 4928 0.170% 48968 45099 692169 1-0 0.945 15.50 -0.0 100 100 100 100 363 5.8 1.347 -0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1118 Phenylalanine 15.6018 1614.2 2.7 scans 76% 218 m/z (267) 1.8% 0.0534% 904 1.2 107 14248 217513 217450 0-1 6: 218 192 219 100 266 220 0.994 15.66 -4.0 94 95 93 98 294 7.8 0.522 -0.057 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1038 Xylose 15.8901 1634.2 >3 scans 70% TIC 3.8% 0.0201% 932 0.9 66 6778 0.218% 81912 81912 887605 0-0 0.944 15.89 0.0 100 100 100 100 307 15.8 5.725 0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1040 Xylose 16.0027 1642.1 2.6 scans 87% TIC 0.91% 0.0889% 942 1.1 140 28384 0.134% 362363 339192 545592 2-1 0.970 16.00 -0.0 100 100 100 100 307 36.8 6.934 -0.001 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1042 Ribose 16.1027 1649.0 2.6 scans 87% 73 m/z (163) 1.4% 0.0573% 952 1.3 110 17588 0.127% 233432 223849 517091 1-0 20: 73 103 307 217 147 308 189 309 133 218 160 104 277 89 74 205 75 117 204 219 0.996 16.10 0.0 98 100 100 100 307 29.7 7.316 -0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN A-AMYRIN-N1010 Contamination?? 16.2237 1657.4 2.7 scans 38% 290 m/z 4.8% 0.00697% 963 2.1 35 5384 0.00739% 28405 25010 30089 1-0 4: 290 291 292 330 0.982 16.28 -3.7 88 91 57 93 392 6.1 3.117 -0.052 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1110 Ribose 16.3163 1663.8 2.6 scans 51% 307 m/z 3.3% 0.0225% 972 1.1 71 7734 0.0269% 92001 83353 109526 6-8 7: 307 103 160 277 308 104 309 0.912 16.38 -4.2 88 89 87 92 467 0.0 0.000 -0.060 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1106 UNKp_Cas Sugar alcohol 16.7min 16.6119 1684.4 2.7 scans 90% 73 m/z 0.98% 0.0944% 1000 1.5 145 26255 0.123% 384572 384572 500805 0-0 20: 73 307 319 147 103 217 308 320 205 309 306 129 117 321 218 148 74 149 229 277 0.996 16.68 -4.4 100 99 98 99 497 0.0 0.000 -0.064 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1102 UNKp_Cas Sugar alcohol 16.98min 16.9234 1706.3 2.7 scans 74% 217 m/z 2.7% 0.0309% 1030 1.2 90 9494 0.252% 126209 126209 1026039 0-0 14: 217 147 103 205 307 319 129 218 204 189 320 206 219 191 0.990 16.99 -4.8 90 90 88 90 422 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1100 UNKp_Cas Sugar alcohol 17.1min 16.9960 1711.6 3.0 scans 88% 73 m/z 1.2% 0.0839% 1037 1.0 130 21316 0.449% 341718 325949 1828140 0-3 20: 73 217 147 205 319 307 103 306 129 189 320 148 204 206 74 321 243 149 72 59 0.994 17.06 -4.9 92 91 91 91 510 0.0 0.000 -0.066 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1096 Putrescine 17.1875 1725.6 2.8 scans 62% 174 m/z 0.73% 0.0502% 1055 1.1 105 35410 204412 197881 1-1 15: 174 175 214 172 86 176 200 130 361 100 376 142 114 362 126 0.986 17.25 -4.4 97 97 96 98 458 0.0 0.000 -0.061 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1044 Putrescine 17.1875 1725.6 2.8 scans 74% 174 m/z (73) 0.73% 0.0608% 1055 1.1 115 35211 247756 239841 1-1 15: 174 175 214 172 86 176 200 130 361 100 376 142 114 362 126 0.990 17.19 -0.0 99 100 100 100 376 8.6 0.559 -0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1092 UNKp_Cas Sugar acid 17.4min 17.3780 1739.5 3.0 scans 82% TIC 1.3% 0.0613% 1073 1.5 115 19059 0.133% 249592 244007 541520 2-0 0.965 17.44 -4.8 97 97 95 97 511 7.4 0.409 -0.065 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1090 UNKp_Cas Sugarfuranose 17.6min 17.5652 1753.2 2.6 scans 92% 217 m/z 0.20% 0.300% 1091 0.9 261 128231 0.388% 1224513 1119334 1579774 3-2 20: 217 73 218 147 219 450 305 74 133 451 75 232 191 129 148 257 452 169 149 203 0.995 17.63 -4.8 97 97 96 97 450 39.2 2.246 -0.067 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1005 UNKp_Ntb 17.70min 1763 17.6989 1762.9 2.8 scans 90% TIC 0.36% 0.347% 1104 0.6 249 70643 0.594% 1414059 1267062 2418520 1-0 0.996 17.70 0.0 100 99 99 100 375 27.4 1.216 -0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1046 Shikimic acid 18.1250 1794.0 6.1 scans 83% TIC 0.68% 0.133% 1144 1.5 156 37871 0.346% 541900 541900 1408767 0-0 0.962 18.13 0.0 100 100 100 100 372 17.4 1.247 0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1048 Citric acid 18.2439 1802.8 2.7 scans 62% 273 m/z 1.9% 0.0545% 1156 1.1 108 13604 0.105% 222039 208665 427516 0-3 16: 273 147 375 363 347 274 465 364 275 348 376 221 149 257 377 349 0.957 18.24 0.0 100 100 97 100 465 17.9 2.726 -0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1076 Pregnane?? 18.7858 1844.1 2.6 scans 98% 345 m/z 0.030% 2.64% 1207 0.8 784 855420 10761040 10529004 1-0 20: 345 73 346 255 147 347 204 334 191 256 435 419 133 74 372 148 257 75 239 348 1.000 18.86 -5.6 100 100 99 100 537 57.8 0.547 -0.072 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1074 Adenine 18.8805 1851.4 3.3 scans 25% 264 m/z 8.7% 0.00434% 1216 1.6 28 2952 0.0847% 17698 16735 344863 1-0 3: 264 265 279 1.000 18.94 -4.5 88 88 75 92 415 0.0 0.000 -0.059 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1072 Fructose 18.9804 1859.0 3.9 scans 98% 73 m/z 0.017% 8.99% 1225 0.5 1182 1520351 36618162 36614394 1-0 20: 73 307 217 103 147 308 218 277 309 133 364 189 205 74 117 219 104 89 148 191 1.000 19.03 -4.0 100 99 99 100 364 134.1 1.291 -0.053 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1052 Fructose 19.1036 1868.4 3.9 scans 97% 73 m/z 0.024% 6.08% 1237 0.5 972 1040871 24793627 24074198 2-2 20: 73 307 217 103 147 308 218 277 309 364 205 74 133 262 89 117 219 189 104 148 1.000 19.10 -0.0 100 100 100 100 364 110.6 1.299 -0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1054 Galactose 19.2161 1877.0 4.4 scans 57% TIC 1.1% 0.0541% 1248 1.0 127 21820 19.4% 220408 220408 78988688 0-0 0.966 19.22 -0.0 100 100 100 100 376 5.9 0.218 0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN BRA4_R~2-N1004 Galactose 19.3319 1885.8 5.1 scans 81% 319 m/z (466) 0.012% 14.4% 1259 0.3 1337 2060241 58905303 58847768 1-0 20: 319 73 205 147 320 160 217 321 103 206 117 229 133 129 157 74 148 189 207 204 0.976 19.36 -2.3 94 97 95 98 364 62.1 0.000 -0.029 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1056 Glucose 19.3319 1885.8 5.1 scans 54% 319 m/z (273) 0.011% 9.57% 1259 0.3 1088 2179704 38995138 38957050 1-0 20: 319 73 205 147 320 160 217 321 103 206 117 229 133 129 157 74 148 189 207 204 0.922 19.33 0.0 88 91 56 90 364 96.2 0.786 -0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1064 Mannose 19.3319 1885.8 5.1 scans 97% 319 m/z 0.011% 17.2% 1259 0.3 1464 2179704 70330995 70262300 1-0 20: 319 73 205 147 320 160 217 321 103 206 117 229 133 129 157 74 148 189 207 204 0.998 19.45 -9.4 100 99 99 100 319 580.3 15.770 -0.123 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN NP_TAB~1-N1006 Phenylethanolamine 19.5055 1899.0 3.0 scans 19% 174 m/z 0.67% 0.0469% 1275 1.1 96 38536 0.0539% 191106 191106 219458 0-0 8: 174 338 86 176 179 339 250 340 0.981 19.49 1.2 81 82 58 82 338 24.7 6.585 0.015 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1059 Glucose 19.5518 1902.7 2.6 scans 97% TIC 0.027% 4.00% 1280 0.5 910 943073 16321233 16297714 1-0 0.997 19.55 0.0 100 100 100 100 376 36.3 0.159 -0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1061 Lysine 19.6128 1907.6 >3 scans 59% TIC 4.6% 0.0193% 1286 1.3 69 5581 2.59% 78789 58709 10545397 0-3 0.947 19.61 0.0 100 100 100 100 434 7.0 1.030 -0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1058 UNKp_Cas Sugar alcohol 19.8min 19.7159 1915.9 3.0 scans 70% 73 m/z 2.3% 0.0276% 1295 0.9 87 10930 0.117% 112481 112481 476375 0-0 15: 73 319 244 205 147 117 320 307 206 103 89 74 59 133 148 0.968 19.79 -6.0 91 91 88 92 434 0.0 0.000 -0.075 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1064 Tyrosine 19.8075 1923.3 2.7 scans 35% 218 m/z 2.7% 0.0179% 1304 1.3 62 9514 0.0200% 73187 65392 81432 2-0 7: 218 219 280 179 220 100 354 0.540 19.81 -0.0 89 96 56 95 382 7.5 1.447 -0.001 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1056 Ascorbic acid 19.9011 1930.8 2.5 scans 54% 332 m/z 3.7% 0.0197% 1313 0.9 68 6860 80507 73998 1-1 2: 332 374 0.898 19.99 -6.9 82 83 79 84 449 7.5 1.216 -0.085 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1007 UNKp_Ntb Sugar 20.3min 20.2946 1962.4 2.7 scans 94% TIC 0.23% 0.415% 1350 1.0 297 109180 1691037 1659548 0-1 0.980 20.30 -0.1 100 100 100 100 433 33.6 1.279 -0.001 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1052 Gluconic acid 2 20.5114 1979.9 2.6 scans 61% 292 m/z (204) 3.8% 0.0245% 1371 1.0 76 6698 0.0613% 99903 99903 249588 0-0 8: 292 319 333 293 294 433 359 320 0.968 20.60 -6.8 85 87 81 87 613 0.0 0.000 -0.086 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN INOSIT~1-N1024 myo-Inositol 21.6941 2078.3 5.4 scans 100% 507 m/z 0.013% 19.2% 1483 0.2 1511 1936799 78229260 78199432 1-0 20: 507 435 509 420 436 612 406 278 407 421 437 371 249 171 524 409 597 78 210 251 0.994 21.75 -4.6 100 100 99 100 507 118.1 0.613 -0.055 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1042 myo-Inositol 21.7067 2079.4 5.1 scans 87% 305 m/z (507) 0.012% 17.2% 1485 0.2 1472 1995604 70327400 70040385 1-0 20: 305 217 318 73 147 191 306 319 265 204 218 307 367 320 133 129 291 219 148 192 0.985 21.77 -5.7 93 93 96 98 318 406.9 7.666 -0.067 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1038 UNKp_Cas Sugar 21.9min 21.8592 2092.2 3.2 scans 95% 73 m/z 0.33% 0.346% 1499 1.1 255 76988 11.2% 1411731 1372936 45601717 5-0 20: 73 319 205 147 320 103 217 321 206 117 74 229 133 157 204 89 129 148 207 263 0.998 21.93 -5.9 97 96 97 99 656 5.6 0.049 -0.071 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1066 trans-Caffeic acid 22.1865 2120.5 2.5 scans 86% 396 m/z 0.40% 0.247% 1530 1.1 242 64695 0.261% 1009009 981741 1062683 0-5 19: 396 219 73 397 381 398 191 220 307 382 293 249 399 74 308 192 233 221 383 0.888 22.19 -0.0 100 100 100 100 396 97.8 16.309 0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1032 trans-Caffeic acid 22.1938 2121.1 2.8 scans 54% 319 m/z 0.42% 0.122% 1531 1.0 177 61258 0.266% 498565 498565 1083041 0-0 19: 319 205 147 103 320 217 321 117 148 218 291 204 172 157 129 207 277 322 119 0.524 22.25 -4.9 85 92 58 87 396 89.1 0.000 -0.056 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1036 UNKp_Cas Sugar 22.7min 22.6652 2162.3 3.1 scans 94% 204 m/z 0.80% 0.0993% 1576 1.5 135 32001 0.137% 404320 392043 557807 1-0 19: 204 73 205 147 217 361 131 191 74 75 189 129 362 219 133 305 149 363 243 0.989 22.71 -4.2 97 95 95 99 518 0.0 0.000 -0.049 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN 24_20_~1-N1031 Sterol/Steroid?? 23.1556 2205.4 2.7 scans 92% 73 m/z 1.2% 0.108% 1622 1.1 153 20829 441861 407486 1-8 20: 73 169 143 231 211 156 75 81 93 170 147 79 117 107 74 181 121 157 141 212 0.998 23.28 -11.4 84 81 64 89 450 6.5 0.180 -0.125 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1028 Glycerolgalactose 24.1246 2293.9 2.8 scans 68% TIC 10% 0.00508% 1714 1.5 35 2394 0.0101% 20707 20707 41123 0-0 0.944 24.01 10.4 81 84 75 82 490 0.0 0.000 0.115 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1009 Glycerol sugar 24.6min 24.6497 2343.6 3.4 scans 95% 73 m/z 0.35% 0.432% 1764 0.6 256 72340 1761720 1717389 1-1 20: 73 331 147 191 217 421 307 205 262 319 103 332 259 422 305 74 333 376 218 117 0.995 24.65 0.0 100 100 100 100 466 14.9 0.339 -0.000 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1022 UNKp_Cas Sugar 26.5min 26.4426 2519.6 3.8 scans 79% 73 m/z 2.8% 0.0368% 1935 0.9 84 9206 0.141% 149854 149854 574093 0-0 17: 73 217 147 218 204 175 740 305 129 191 74 131 143 232 741 319 115 0.985 26.52 -8.0 88 88 81 88 740 11.3 1.789 -0.078 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN STIGMA~1-N1021 UNKp_26.6min 2533 26.5299 2528.6 2.6 scans 56% 512 m/z (361) 2.9% 0.0342% 1943 1.0 89 8688 139374 138296 0-1 12: 512 455 513 247 456 57 514 483 349 263 248 423 0.903 26.57 -4.5 92 94 79 94 512 33.0 13.790 -0.043 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN LQC1-N1010 Sucrose 27.4054 2619.7 4.7 scans 98% 73 m/z 0.0081% 16.6% 2026 0.3 1476 3181839 67670839 65835673 1-1 20: 73 362 437 363 103 218 451 438 364 74 272 320 75 157 131 72 130 450 104 171 0.999 27.58 -18.5 100 99 98 99 437 293.1 3.972 -0.174 G:\GCMS data\Nicotiana Panel polar\TAB_REP6.FIN TAB_REP6-N1070 Sucrose 27.4096 2620.1 4.7 scans 58% 361 m/z (73) 0.0097% 9.81% 2027 0.3 1127 2648879 39944359 38991202 1-1 20: 361 217 147 271 169 319 243 129 218 191 331 219 189 204 205 230 148 133 117 229 0.963 27.41 0.0 99 100 100 100 451 0.0 0.000 -0.000