Metabolite_name RefMet_name A1 B1 G1 L1 S1 T1 Factors - Species:Apple | Variety:Gala Species:Basil | Variety:Sweet Species:Garlic | Variety:Softneck Species:Lettuce | Variety:Iceberg Species:Strawberry | Variety:Honeoye Species:Tomato | Variety:Globe type 11-Ketofusidic acid 9003 2650865 9003 9003 9003 9003 1_2-Dilinoleoylglycerol 885376 2598589 1040611 744199 340638 5586860 1_2-hydroxyfluorene-d9 iSTD_[M+H]+_ZDOIAPGLORMKTR-MFNUZUOVSA-N 577432 296993 563766 393455 411825 453181 13-cis-Retinal 1271 12705 1271 1271 1271 1271 1_4a-dimethyl-9-oxo-7-propan-2-yl-3_4_10_10a-tetrahydro-2H-phenanthrene-1-carboxylic acid 13117 1874857 588527 7055250 9418 534313 1-(4-Ethoxycarbonylphenyl)-2-(4-fluorobenzylthio)-5-(2-ethoxy-5-pyrimidinylmethyl)-4-pyrimidinone 627 627 627 627 627 516688 1_5-Dicaffeoylquinic acid 438 438 438 2401028 438 1054623 15-Ketoprostaglandin A1 15-Keto-PGA1 55368 2511949 46318 9225023 69556 800310 15-Ketoprostaglandin E2 15-Keto-PGE2 67581 1109900 182669 9923953 177929 4500602 16_16-Dimethylprostaglandin A2 436 1093221 436 3631835 6457 346612 17.alpha.-Nandrolone 7186 206012 7186 10737887 123928 122481 17-Phenyltrinorprostaglandin E2 16906 21473 8728 19091460 554013 2886833 18.alpha.-Glycyrrhetinic acid 1302302 2169003 4590 4590 202449 3918727 1_Apigenin-d5 iSTD_[M+H]+_KZNIFHPLKGYRTM-DKFMXDSJSA-N 34803448 31730860 31820548 24355308 32382618 30831342 1_Caffeine-d10 iSTD_[M+H]+_RYYVLZVUVIJVGH-GQALSZNTSA-N 38728504 40348572 13456004 40770060 36708280 38362576 1_CUDA iSTD_[M+H]+_HPTJABJPZMULFH-UHFFFAOYSA-N 387190144 344808800 535002272 361705600 360240000 417543296 1_Daidzein-d4 iSTD_[M+H]+_ZQSIJRDFPHDXIC-RHQRLBAQSA-N 45342444 37416564 37563256 42348504 39094920 37778208 1_(-)-Epigallocatechin Gallate-d3/d4 iSTD_[M+H]+_WMBWREPUVVBILR-TWUCOEJKSA-N 2101670 1786213 1165434 1574214 1378388 1369702 1-Ethyl-4-piperidinylamine 470 6642 470 470 97437 470 1_Genistein-d4 iSTD_[M+H]+_TZBJGXHYKVUXJN-RHQRLBAQSA-N 25111440 21789974 23060072 21314056 22656954 22116452 1-Hexadecylpyridinium cation 50 50 50 50 50 2212 1_Hippuric acid-d5 iSTD_[M+H]+_QIAFMBKCNZACKA-RALIUCGRSA-N 303981344 313537408 67936912 316365856 277125984 275585792 1-O-[(2alpha_3beta_5xi_9xi_18xi)-2_3_23-Trihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose 132 123159 132 132 343325 132 1_Quercetin-d3 iSTD_[M+H]+_REFJWTPEDVJJIY-CBYSEHNBSA-N 43613392 45144140 40598272 35943400 41821424 39287044 1_Reserpine-d9 iSTD_[M+H]+_XXHYYWZRWQIEIX-GJIMXDMHSA-N 39368172 12537418 34793000 16147786 40401188 46724892 (1S)-(+)-Camphorquinone 36388 2548883 22076 38357 68559 47923 1_trans-Cinnamic Acid -d5 iSTD_[M+H]+_WBYWAXJHAXSJNI-URCVCZEFSA-N 4928854 4546726 5101331 4887548 4978334 4389674 1_trans-Resveratrol-d4 iSTD_[M+H]+_LUKBXSAWLPMMSZ-RRQWMZAJSA-N 3550194 3129379 2833648 2741056 2664592 2-(2-Hydroxy-5-methylphenyl)benzotriazole 792 2199040 79 79 11848 79 2_3_4^_5-Tetrahydroxystilbene 2-glucoside 427 427 427 4269 427 427 2_3-Dimethoxy-5-methylbenzoquinone 58811 436514 114613 124588 79169 110185 2_3-Dinor-8-isoprostaglandin-F2.alpha. 2,3-Dinor-8-iso-PGF2alpha 109357 937735 140553 741424 221748 807387 2_4_7_9-Tetramethyl-5-decyne-4_7-diol 38776 270924 10282 38577 4944343 173475 (+)-2_5-epi-Goniothalesdiol 1197 14850 1197 1197 1197 1197 2_6-Di-tert-butyl-4-hydroxymethylphenol 157509 2680090 97 170237 371952 63552 2.alpha.-Methyl-5.alpha.-androstan-3.alpha.-ol-17-one 768 930488 768 768 768 40514 2-Amino-1-phenylbutane 135518 742873 15092 278832 1221060 339798 2-Amino-m-cresol 5336 226203 302280 7281 430 47039 2-cis-4-trans-Abscisic acid 196798 473257 5745 6527 2438836 143532256 (2E)-3-(4-Chlorophenyl)-3-(3_4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one 590 590 5904 3563400 590 590 2-Heptyl-4-hydroxyquinoline N-oxide 176 176 8643 176 176 744858 2-Hydroxy-3-methoxybenzyl alcohol 34214 1188148 73742 58128 145341 37484 2-Hydroxy-5-methoxybenzaldehyde 172957 3006278 112188 194732 156625 118724 2-Linoleoylglycerol MG 18:2 287272 2477174 1745916 3761586 307267 6301602 2-Methoxy-5-nitrophenol 5382 56286 211 211 211 211 2-Methylbutyryl-L-carnitine CAR 4:0;2Me 7866 599 508032 71726 7473 178657 2-Methylquinolin-8-ol 31332 63825 627 331252 10629 561486784 2-Propenoic acid_ 3-(2_4-dimethoxyphenyl)-_ (E)- 477 477 477 1100019 477 477 (2R_3R)-2_3-bis[[(E)-3-(3_4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid 31787 20195202 185772 10259103 500 5003 [(2S_3R_4S_5S_6R)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate 769 22245 769 769 11804119 769 (2S)-Nicotine 1-oxide 1112 11119 1112 274157 29595 7839313 2-tert-Butyl-p-quinone 362577 2347317 32165 334732 200508 902617 3-(2-Hydroxyethyl)indole Tryptophanol 378 6716 378 1207936 378 27463 3-[(2S_3R_4S_5S_6R)-6-[[(2R_3R_4R_5R_6S)-3-[(2S_3R_4R)-3_4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4_5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-3_4_5-trihydroxyoxan-2-yl]oxy-2-(3_4-dihydroxyphenyl)-5_7-dihydroxychromen-4-one 1742 1742 1742 1742 1742 12559141 3_4_2^_4^_6^-Pentahydroxychalcone 424094 2378434 990 16708 4317974 9903 3_4-Dihydroxycinnamic acid (L-alanine methyl ester) amide 226762 17848026 56638 698973 219610 348869 3_4-Dihydroxy-L-phenylalanine DOPA 27818 9356202 15136 111743 15218 126168 3_4-Dihydroxymandelic acid 3,4-Dihydroxymandelic acid 357 357 16794 357 43859 4354 3_4-Dihydroxymethamphetamine 9458 5535916 2113 32679 7096 12176 3_4-Methylenedioxy-.alpha.-pyrrolidinobutyrophenone 5555 365187 5942 16158 46457 7714 3_5_7_3^_4^-Pentahydroxyflavanone 1252 39 39 39 584696 39 3^_5^-Dimethoxy-3_5_7_4^-tetrahydroxyflavone 602 602 6018 602 602 602 3_5-Dimethoxy-4-hydroxycinnamic acid Sinapic acid 415527 963352 1790 1774162 1790 1346377 3_5-Dimethoxycinnamic acid 173 19925 3644 5152 173 5467 3_7_4^-Trihydroxyflavone 125435 20947 859 859 2699042 87030 3-Acetamidophenol 44929 20517 338614 44120 11526455 142407 3-Acetyl-3-methyldihydrofuran-2-one 6757 9204 113 8636 1984128 35545 3-Dehydroretinol All-trans-3,4-didehydro retinol 526 231002 526 1313683 526 14016 3-Hydroxy-4-methoxycinnamic acid Isoferulic acid 3079 275892 65208 37312 51 1219109 3^-Hydroxy-5_6_7_4^-tetramethoxyflavone 765 4291876 765 765 765 765 3-Hydroxy-6_3^_4^-trimethoxyflavone 105931 234474640 466 462112 109035 12886 3-Hydroxycapric acid 10-Hydroxydecanoic acid 11206 7484 4838 23409 4643594 4207 3-(Hydroxymethyl)-6_7-dimethylquinolin-2-ol 30858 50444 50777 129852 39637 37456 3-Indoleacetic acid Indoleacetic acid 4852 253293 120 120 120 5407 3-Isopropylphenyl N-methylcarbamate m-Cumenyl methylcarbamate 131768 2727158 2454 54769 394264 994499 3-Methoxydiphenylamine 263866 4922990 12364 1384798 858211 123638 3-Methylindole 3-Methylindole 104868 760817 2420966 8687078 8083328 13020326 3-O-Methylgallic acid 5350 359 6653 359 359 359 4_4^-Dimethoxystilbene 218438 12972955 448 7229690 1180726 825037 4^_5-Dihydroxy-7-methoxyflavanone 769 44789 769 769 769 769 4^_6^-Dimethoxy-2^-hydroxyacetophenone 153667 34584 21652 187020 19070352 10589 4^_7-Dimethoxy-3-hydroxyflavone 597 26996640 597 41140 597 597 4-Aminoantipyrine 37260 5753 948295 17391 5053 1339413 4-Demethylsimmondsin 2^-ferulate 73845 501399 36907 811 8115 239079 4-Ethylmethcathinone 43317 42677 661953 40997 40460 49676 4H-1-Benzopyran-4-one_ 2-(2-amino-3-methoxyphenyl)- 10135 25111 8981 347 3069550 347 4-Hydroxy-3-methoxyamphetamine 415 44526 105819 415 415 5013388 4-Hydroxy-3-methoxyphenethyl alcohol 7907 134945 6087364 68238 18726 82501 4-Hydroxybenzaldehyde 4-Hydroxybenzaldehyde 842468 334944 135 45570 559436 86163 4-Hydroxybenzoic acid propyl ester 260917 73508 20769 21829 40494 13925 4-Ketopimelic acid 236252 58643 60242 41883 3497451 47272 4-Methoxycinnamic acid 4-Methoxycinnamic acid 282 33069 4192 17351 7795 15894 4-Methyl-5-thiazoleethanol 5-(2-Hydroxyethyl)-4-methylthiazole 604 51291 604 2061758 604 435363 4^-Methyl-N-methylhexanophenone 490311 4834258 368 1057650 4673343 8246636 4^-O-.beta.-D-Glucosyl-5-O-methylvisamminol 4103242 257259 413 413 142632 52876 4-Pregnen-11_17_20_21-tetrol-3-one 506 12713 506 768190 7885 91169 4-Pyridoxic acid 4-Pyridoxic acid 20459 7099 6299170 378 8112 25090 (4S_5Z_6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S_3R_4S_5S_6R)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid Scoparone 109 109 108523 1087 117636 319948 4-tert-Butylbenzylamine 11712 603836 1770 31151 79886 25509 5-(2-Aminopropyl)-2_3-dihydro-1H-indene 854 90757 85 16481150 387192 299496 5_3^-Dihydroxy-6_7_4^-trimethoxyflavone 525 32076046 525 30205 525 525 5_7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3_4_5-trihydroxy-6-[[(2R_3R_4R_5R_6S)-3_4_5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 1381 1381 1381 1381 1059404 13814 5-(Galactosylhydroxy)-L-lysine 5-(Galactosylhydroxy)-lysine 108510 92 92 92 92 94548 5-Hexenoic acid_ 6-[(2R_3S)-3-[[[(4-chloro-2-methylphenyl)sulfonyl]amino]methyl]bicyclo[2.2.2]oct-2-yl]-_ (5Z)- 269517 461231 9454 16575358 439752 116096 5-hydroxyculmorin 5-Hydroxyculmorin 34264 241956 186 1864 3388836 22764 5-Methoxytryptamine 5-Methoxytryptamine 322 134868 322 322 322 1209797 5^-O-Acetyladenosine 125546 29198 294 294 27091 764218 5^-S-Methyl-5^-thioadenosine 5'-Methylthioadenosine 25364636 53275520 3218204 29641006 56352724 124721008 6-Methoxymethylone 857 8782 754342 2510008 2365056 6089676 6-Methylchromone-2-carboxylic acid 6760 1505988 676 676 676 676 6-Methylcoumarin 11514 135945 6745 19952 268052 4828 7_2^-Dimethoxyflavone 672 482799 672 672 672 672 7_8-Diallyloxy-4-methylcoumarin 557 5604260 952255 25157 557 6129 7_8-Dihydro-.alpha.-ionone 745033 415971 21716 31305 26831 47062 7_8-Dihydroxy-4-methylcoumarin 450 8624 450 450 450 450 7_8-Dihydroxycoumarin 6253 19207 458 458 458 458 (.+/-.)7-epi-Jasmonic acid 56672 56522 592 62568 457631 22291 8-Acetyl-7-hydroxycoumarin 5313 3433718 1548 155 155 155 9-Phenanthrol 9-Phenanthrol 411 1301346 411 641634 180054 28997 (+)-Abscisic acid Abscisic acid 82057 791920 26229 89217 3409729 4066131 Abscisic acid Abscisic acid 156964 250864 7789 244977 6917951 1155581 Acetamiprid 3329142 45663 40797 507 507 56373 Acetyl coenzyme A Acetyl-CoA 744 104914 29147 20197 3702216 744 Acetyleugenol 152172 35092716 3568822 104276 47991 128442 Ala-Leu Ala-Leu 432538 2395330 43254 4116242 899930 3533412 Alantolactone Alantolactone 85944 384659 426 32636 344678 107739 Ala-Phe Ala-Phe 2800 1216763 254656 3012575 27999 1771973 Ala-Trp Ala-Trp 737 7580 164197 24195 737 737 Aleuritic acid 21820468 54805 1571 6136 32856 121393 Allicin Allicin 110 7193 28889764 150434 110 110 Alloxanthin Oxypurinol 18906 26110658 330 850109 40402 504471 all-trans-Retinoic acid methyl ester 328 21826 328 6627 328 35536 .alpha._.beta.-Thujone 7491 1675882 423 25478 21094 151727 .alpha.-Bisabolol alpha-Bisabolol 5091 81639 101 18033 2982889 4083 .alpha.-Cyperone 10400 690102 672 56703 208525 24020 .alpha.-Dimethylaminopentiophenone 38374 63696 4855 28941 136372 143093 .alpha.-Ionone alpha-Ionone 127264 9577128 6977 60836 1085988 212329 .alpha.-L-Glu-L-Asp Glu-Asp 8954 270896 895 71924 291137 74292 .alpha.-Linolenoyl ethanolamide alpha-Linolenoyl-EA 441 543375 441 515750 441 158917 .alpha.-Pyrrolidinopropiophenone 260330 266134 1628550 9618704 1821939 348242 .alpha.-Santonin alpha-Santonin 411 3762197 411 5468 411 411 Aminocarb 1361 136 240259 136 136 136 Androstane-3_17-diol 3alpha-Androstanediol 17965 8396 24352 14536 57956 11919 Anisatin Anisatin 133347 297113 1073006 95588 3963393 119999 apigenin 6_8-digalactoside 3532 35317 3532 3532 446356 3532 Apigenin 7-glucoside 802 802 802 802 6467924 802 Apigenin 7-O-neohesperidoside 61646 786 786 33448 88318288 7856 Aprepitant .beta.-glucuronide 28232 59269 37251 100597 8594 11260 Arachidonoyl-2^-fluoroethylamide 899 899 899 899 899 59299 Arg-Arg Arg-Arg 143193 143193 143193 143193 143193 143193 ARGININE Arginine 5488 5433 690370 6424 6601 29568 Arg-Leu Arg-Leu 637 357006 117722 2234753 6365 255388 Arg-Phe Arg-Phe 441 87173 115271 1042295 6221 434044 Asiatic acid Asiatic acid 2045 3235757 2045 2045 464524 2045 Asn-Leu Asn-Leu 6771 900946 677 6271815 160157 794132 Asn-Phe Asn-Phe 822 13854 18441 411027 822 84004 Asp-Ile Asp-Ile 596 1705000 722558 676702 54634 494381 Asp-Leu Asp-Leu 23641 1880726 1072666 4379244 409192 1956049 Asp-Phe Asp-Phe 29070 475011 340450 1485300 49755 1744754 Astragalin 2506479 1809639 169508 128160 19509762 31415 Atractylenolide III 153 119683 42849 192909 153 153 Austricine 7763 261 261 1726812 9094 2608 Avicularin 131315 807 807 807 807 807 Azelaic acid Azelaic acid 26387 1130501 16710 40434 19974 30448 Baicalin Baicalin 9922 561079 675 675 675 675 Benzamide_ N-[[(2-hydroxy-5-nitrophenyl)amino]thioxomethyl]-3_5-dimethyl- 173008 436382 7319 5761763 622672 855583 Benzeneacetic acid_ .alpha.-amino-3_5-dihydroxy-_ (.alpha.S)- 30849 223 223 5304 23034 223 Benzyldimethylstearylammonium cation 8595 1257944 3993 3034 56260 184093 Benzyldimethyltetradecylammonium cation 3679 1260 4634 4256 10250 3438 .beta.-Amyrin acetate 715060 2143219 459577 3839212 551170 3675141 .beta.-Damascone 147096 5120488 7418 29608 100767 135294 beta-D-Glucopyranose_ 1-O-[(2alpha_3beta_5xi_9xi)-2_3_19_24-tetrahydroxy-24_28-dioxours-12-en-28-yl]- 579 1305028 579 579 579 579 .beta.-Resorcylic acid 81929 14316 29738 11239 590 21451 .beta.-Sitosterol Sitosterol 2416792 515505 1545198 862720 349160 683585 Betulinic acid Betulinic acid 861982 8175 8175 8175 8175 8175 Bisabolol oxide A 31039 490712 60937 6224 27018552 38642 Boscalid 841291 21490 102570 37466 2730 2730 Brassicasterol Brassicasterol 10222 30845 280012 186070 674563 4070613 Brefeldin A Brefeldin A 96900 365068 738 216980 11223 60430 Caffeic acid Caffeic acid 10450317 9020339 561 4851491 225046 8012216 Cantharidin 5928 1730466 5433 5990 8214 93 Carbamic acid_ N-(2_2-diphenylacetyl)-_ ethyl ester 314 1811915 314 314 314 12298 Carbendazim Carbendazim 3328764 387 387 387 387 387 Carbobenzyloxyglycylglycyl-L-norleucine 337 1621427 337 1069743 6714 439941 (-)-Carveol 55693 565855 6142 258585 283632 232327 (-)-Caryophyllene oxide Caryophyllene alpha-oxide 204752 1315158 1122 58537 8198052 9119 Catechin Catechin 6507234 4847 77 130431 2492818 43697 (+)-Catechin Catechin 47597 235709 6987483648 66711 575216 755537 (-)-Catechin gallate 1174 1174 1174 1174 1060775 1174 Caulophyllogenin 16129069 432718 465 15300 6319 27412 Cedrol 20138 533186 121 33684384 391007 117217 Chalcone Chalcone 386733 797509 260397 6755107 879471 12857394 Chamissonolide 20522 160908 17120 2131477 58992 49515 Chicoric acid 4969 4431357 27136 2761791 497 497 Chlorogenic acid Chlorogenic acid 7953824 317 317 1114403 3174 2804184 cirsimaritin 386 11637320 13273 83623 14010 386 cis-11_14-Eicosadienoic acid 11Z,14Z-Eicosadienoic acid 7246 1123600 7246 7246 7246 7246 cis-11-Eicosenoic acid cis-Gondoic acid 2951 1410670 2951 2951 2951 2951 cis-5-Dodecenoic acid 5-Dodecenoic acid 15545 11927 187 33315 1517390 22986 cis-Jasmone cis-Jasmone 11565 29641 12676 7098 10382 16386 Citric acid Citric acid 168425 294694 601678 157585 3462537 1162527 Coniferylaldehyde Coniferyl aldehyde 40384 5206949 184896 388551 131984 439936 Corey PG-lactone diol 6334 2649150 185 260976 185 52799 Corosolic acid 31411789 44433417 2679 2679 1307236 2679 Culmorin 18028 109933 548 548 5620466 30436 Cyanidin-3-glucoside 18444028 158273 134824 87451 21136554 67078 Cyanidin-3-O-alpha-arabinopyranoside 272798 30366 287 287 8635 287 Cyanidin 3-rutinoside cation 48112 1356108 554 5543 14862583 251233 Cyanidin cation 466582 60681 30700 15426 386878 23024 Cyanin cation 1458534 147631 240477 110731 3575898 158055 Cyclohexanecarboxylic acid_ 1-phenyl-_ 2-(4-morpholinyl)ethyl ester 122 582695 47541 3244722 134201 592944 DAG 34:2 DG 34:2 231018 195334 186491 390418 127305 1296271 DAG 34:3 DG 34:3 94970 648183 93611 258229 175873 1275091 DAG 36:3 DG 36:3 105619 58956 186113 31456 120347 85544 DAG 36:4 DG 36:4 838577 369510 1983855 734593 424923 1705102 DAG 36:5 DG 36:5 379106 2501007 1042036 1482037 646643 2194267 DAG 36:6 DG 36:6 90687 20320260 106554 2147384 319235 1088957 D-Asparagine D-Asparagine 43713 5366 20303 391271 449780 113529 .delta.-Decalactone 201353 267933 192168 358547 6864446 376254 .delta.-Nonalactone 3570 4949 5836 20655 148667 548310 .delta.-Octalactone 81160 81681 6848 15961 7877031 17707 Demecolcine 108 108 108 108 108 108 D-erythro-Sphinganine Sphinganine 147234 146745 646069 88874 47961 449908 DGDG 34:2 DGDG 34:2 4590661 453945 508436 5542638 154856 6867978 DGDG 34:3 DGDG 34:3 2655757 6306115 2162298 3866702 277416 3589812 DGDG 34:4 DGDG 34:4 1270 732608 1270 140861 1270 1270 DGDG 36:2 DGDG 36:2 390829 57369 15045 427819 32698 636679 DGDG 36:3 DGDG 36:3 573532 320331 246281 737367 82588 551012 DGDG 36:4 DGDG 36:4 2864270 62611 704335 2008998 323121 5311368 DGDG 36:5 DGDG 36:5 1427620 6129560 1395061 5408423 291130 4674037 DGDG 36:6 DGDG 36:6 6415872 75683088 2004382 39656172 2054233 10853816 DGTS 34:2 DGTS 34:2 21865 561 10435 561 1016753 561 (+)-Dihydrocervone 24233 9312893 370 96678 262284 97911 Dihydromyricetin Dihydromyricetin 1063 1063 208019 16445 1063 1063 Dihydrorobinetin 97115 1911 1911 1911 1236823 176560 Dilinolenin (9c_12c_15c) 5786906 304964608 5181842 64509164 1939480 11220451 Dimethomorph 1432 1432 1432 667477 1432 1432 Dimethyldioctadecylammonium cation 36 36 36 36 926 36 Dimethyl sebacate 40555 2552696 40593 35930 54784 20078 Dinor-12-oxophytodienoic acid 16904 231352 30651 1526392 4481 120112 dioctylamine Dioctylamine 13657 19279 10712 5483 8292 31973 Diosgenin Diosgenin 391 391 341180 391 391 391 DL-4-Hydroxy-3-methoxymandelic acid 4644434 52142524 4089926 28149634 7129276 115151264 DL-Benzylsuccinic acid 3137 71993 8291 19986 513935 3195 DL-Indole-3-lactic acid Indolelactic acid 94249 586512 2047429 6879313 6505838 10574625 DL-Phenylalanine Phenylalanine 2291092 54310372 355894592 520128320 42109832 1110111488 Dodeca-2(E)_4(E)-dienoic acid 2E,4E-Dodecadienoic acid 5413 3695042 266 1836249 79278 36888 Dopamine 4-.beta.-D-glucuronide 19322 956648 21651 23199 32117 25227 D-(+)-Trehalose Trehalose 5373539 32745 1075 186345 1795422 1075 (E)-3-[4-[(2S_3R_4S_5S_6R)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid 673403 1108 1108 1108 24889200 417256 (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide 2296 2296 3897011 2296 2296 1018019 Echinocystic acid 991927 5183813 394 394 132417 394 Eleutheroside B Syringin 109915 366480 285 12530304 285 285 Ellagic acid Ellagic acid 429 429 429 429 1575410 429 Entacapone Entacapone 1000 1000 125107 1000 1000 1000 (-)-Epigallocatechin Epigallocatechin 2843 12996 284 284 261492 284 Ergothioneine Ergothioneine 582 7249 1026273 30011 21699 12290 Eriodictyol-7-O-glucoside 77940 490169 26237 309 569283 309 Erucamide 13Z-Docosenamide 75003712 522732608 260314000 317251968 22721948 255102928 Erythrodiol 478174 118676 364 73980 364 7749 Escaline 49384 63710 17111 1432243 14351 22916 Ethanone_ 1-(5-hydroxy-1-pentyl-1H-indol-3-yl)-2-(2-methoxyphenyl)- 129082 10026342 60719336 505932 97125 50796872 Ethyl 4-hydroxyquinoline-2-carboxylate 432 5405188 432 91833 1516632 30631 Ethyl gallate 34838 3636892 356 104239 42134 37842 Ethyl syringate 770610 43925 459 766759 49291 16501 Ethyl trans-caffeate 28713876 556094 114 7293330 244327 14721614 Etonogestrel 10115 3030455 31524 4694851 140087 1295463 Euparin 6019 209085 43448 7200 11095 32886 Euphorbiasteroid 700 15504 700 8065 700 700 Farnesal 339127 2030095 6905 318360 1669327 6502 Farrerol Farrerol 490 490 490 490 490 490 Fenamidone 551 551 8309 25097032 5969 5509 Ferulic acid trans-Ferulic acid 2871325 550180 236521 54835 3479178 2535650 Ferulic acid methyl ester 117000 1599518 189244 142036 4692 1963469 Flavanomarein 24405 108 108 9332 903874 140935 Fluopyram 6741 54838 521407 38741 124297696 621 Fluxapyroxad 667052 1340 13401 1340 1340 887990 Fraxinellone 33718 9513964 40446 26296 26412 18685 Friedelin Friedelin 101126 128903 108758 25046 377 13568822 Fucosterol Isofucosterol 3225793 1232977 1338083 2867274 8039173 6518075 Galanthamine 42000 419999 42000 42000 42000 42000 Galiellalactone 22541 748092 423 181848 297773 339512 Gallic acid Gallic acid 1104 18078 1104 5841 49505 10322 (-)-Gallocatechin 5278 91 91 91 33576 33857 (-)-Gallocatechin 3-gallate 330288 17082 502 502 301027 20243 .gamma.-Decalactone 24233 3037807 6415 148409 1787699 97415 .gamma.-Glu-Cys gamma-Glutamylcysteine 7523 265 1563116 265 10238 265 gamma-Glutamylleucine gamma-Glutamylleucine 22513 354991 40856268 2690419 850215 1422642 .gamma.-Glutamyl-(S)-allyl-L-cysteine 164791 1404309 7218311534 56523 923485 303424 .gamma.-Linolenoyl ethanolamide 17856 12371931 216846 1625600 18356 360731 .gamma.-Octalactone 26993 1385948 128 7465 8280 282687 Genipin Genipin 520 196830 26924 11602 520 520 Germacrone 74768 874120 18492 2374223 103581 59732 Glabridin 472 390514 64728 24395 103391 81514 GlcADG 34:2 DGGA 34:2 321402 105 7284 209181 1054 1178965 GlcADG 34:3 DGGA 34:3 454604 329109 339 1217714 195457 445232 GlcADG 36:5 DGGA 36:5 197447 118926 79729 36680 37584 585633 Gln-Ile Gln-Ile 6001 499253 600 2497916 90737 331097 Gln-Leu Gln-Leu 7805 2595593 271 11867377 313702 1707253 Gln-Phe Gln-Phe 5713 807379 571 5140986 55548 758331 Glu-Leu Glu-Leu 20240 2627878 963433 7019400 397401 4896576 Glu-Phe Glu-Phe 12714 66813 4658721792 151262 118338 1387494 Glu-Phe-Arg Glu-Phe-Arg 626931 129 4189355 11184 129 129 Glutamic acid Glutamic acid 100765 324367 158810 173938 195014 1087054 Glu-Trp Glu-Trp 140 96628 16158809 909978 1560030 1727875 Gly-Leu Gly-Leu 2213334 4834258 368 4209288 4673343 8246636 Gly-Phe Gly-Phe 310 310 3096 45083 310 122346 Gossypetin 3_3^_8-trimethylether 844 5025885 1084347 844 844 844 Guaiaverin 2310464 15938 1032 1032 1032 1032 Hederagenin 6443251 12381542 467 70759 179558 132657 Helicin 141048 3339 334 21240 35072 184350 Hexaethylene glycol Hexaethylene glycol 906944 282374 519 498294 1083272 14186837 HexCer-NS d32:3 HexCer 32:3;O2 28226 400 947838 400 7985 13481 HexCer-NS d34:2 HexCer 34:2;O2 4906334 1056157 1125762 24189 2380224 5053587 HexCer-NS d34:3 HexCer 34:3;O2 13913227 2690924 8012386 598 6811028 20563662 His-Leu His-Leu 4735 351831 156607 3281652 28714 285144 His-Phe His-Phe 672 26018 48573 318279 672 9762 (-)-Homoeriodictyol 214828 1129490 205874 150131 142157 185054 Homogentisic acid Homogentisic acid 1738520 81279 1275 47924 687914 26715 Huperzine B 80 80 80 12218 80 997350 Hydroxyvalerenic acid 86556 453366 264 162746 53142 159447 Hymeglusin 65729 875755 35689 1089169 447526 1043066 Hyperoside 11537472 82613 352 352 352 352 Icariin 535 5347 535 535 11408 319438 Ile-Arg Ile-Arg 5785 57855 5785 2042698 93686 2213010 Ile-Glu Ile-Glu 137065 973118 88653984 2603410 967347 4586146 Ile-Gly-Ile Ile-Gly-Ile 2165 647894 196471 2842125 69242 756322 Ile-Ile Ile-Ile 143 143 143 89016 5831 24268 Ile-Ile-Lys Ile-Ile-Lys 479 6315 479 338275 27450 260127 Ile-Leu Ile-Leu 53548 5529475 1263741 1258296 699290 13514207 Ile-Met Ile-Met 10754 144424 552 12522 10163 86751 Ile-Phe Ile-Phe 5298 1411639 369595 4192658 197581 4106322 Ile-Pro-Ile Ile-Pro-Ile 5534 452960 5534 207971 66932 485020 Ile-Trp Ile-Trp 529 330675 2323492 998879 54903 632917 Ile-Tyr Ile-Tyr 487 396701 124710 2562148 29797 2422757 Ile-Val-Arg Ile-Val-Arg 1227 1227 1227 107832 1227 186150 Imidacloprid Imidacloprid 8073 427 427 1039857 427 427 Indole-3-butyric acid 3-Indolebutyric acid 380538 139257 9091354 79134 218340 2832695 Indole-6-carboxaldehyde 260096 1316072 8313593 30084786 27783710 44157468 Irisflorentin 560 560 560 560 560 560 (+)-Isomenthone 4873 19901548 61 62857 29457 70117 Isoorientin 464 464 464 464 464 464 Isopentenyladenine N6-Isopentenyladenine 990 990 990 990 314432 990 Isophorone Isophorone 55270 162605 16127 426999 127198 119658 Isopimaric acid Isopimaric acid 93542 98962 99 990 66896 99 Isoquercetrin 52787572 62648 200462 296562 100285 750191 Isosilybin A 716 4280200 37293 716 716 716 Janerin 15608 574 574 1042185 574 52720 Jasmine lactone 46590 168965 35986 149640 2409218 212752 Jasmonic acid Jasmonic acid 12747 1861545 26458 872298 20697 21510 Kaempferitrin Kaempferitrin 295289 31447 4812 457 5635664 457 Kahweol 136 9526 136 284131 136 136 Ketogluconic acid methyl ester 64806 35927 18937 34183 359018 27691 Koninginin A 512 512 512 44879 174262 643943 Kynurenic acid Kynurenic acid 432 5405188 432 91833 1516632 30631 L-(-)-3-Phenyllactic acid L-3-Phenyllactic acid 108747 758726 3778447 4971234 652980 12857394 Lactose Lactose 85069 197318 217804 563 8714 4220372 L-Alanyl-L-norleucine 13365 4656424 29989 8996504 378864 4346878 L-ARGININE Arginine 36101 1135803 29674762 2947396 101334 1399197 L-Arginine_ methyl ester 71572 574964 3911401 760787 532334 4034109 Leu-Arg Leu-Arg 1189 78604 1189 379499 1189 179126 Leucylleucyltyrosine Leu-Leu-Tyr 117 117 117 164092 117 148302 Leu-Gly-Leu Leu-Gly-Leu 304 275781 25559 458174 8081 198874 Leu-Leu Leu-Leu 59012 4745996 1634304 8601842 514568 7357460 Leu-Lys Leu-Lys 3960 216830 3960 505795 107705 526284 Leu-Tyr Leu-Tyr 3235 501774 791906 373093 32352 2463378 Leu-Val Leu-Val 573 5735 57050 10468 573 24973 L-Glutamic acid Glutamic acid 880561 2498495 304829 426767 1961438 16695973 L-Glutamine Glutamine 363213 921658 4183005 10246770 4330494 9254218 Linderane Linderane 616 616 616 1938813 616 616 Linoelaidic acid Linoelaidic acid 333155 1087093 897167 1384457 35884 2137670 Linoleic acid Linoleic acid 350626 985612 1323663 4865894 213359 1458705 Linoleic acid ethyl ester 359 26675 302379 11779 6863 359 Linoleic acid methyl ester 1378167 4534598 3613177 4689814 217116 7429604 Linoleoyl ethanolamide Linoleoyl-EA 211106 634523 788325 1315129 38702 1187669 Lithospermic acid 18632 30406224 13955 255072 13955 13955 Loliolide Loliolide 1589248 14715228 234110 8520550 53043 3086950 LPC 15:1 LPC 15:1 68658 602587 1081602 1478433 333102 5104 LPC 16:1 LPC 16:1 65066 1756970 3416729 2380798 977503 587773 LPC 18:1 LPC 18:1 1443860 25966594 47142364 16830430 15300723 4923334 LPC 18:2 LPC 18:2 19856388 118391944 216751072 293857856 32525272 102159200 LPC 18:3 LPC 18:3 1317685 84433880 9368771 119114432 12674536 14879812 LPC 20:1 LPC 20:1 22470 627865 1526189 1155692 254173 96488 LPC 20:2 LPC 20:2 174452 811310 668301 4854590 133619 299769 LPC 20:3 LPC 20:3 399 550897 399 1835400 84538 32788 LPC 22:6 LPC 22:6 513 513 5128 11177 38867 1246231 L-Tryptophan Tryptophan 12722182 74235364 141000444 643941056 819897472 611783136 Luteolin Luteolin 133331 2929179 6766 190 322459 101143 Luteolin-7_3^-di-O-glucoside 587 587 587 587 988905 587 Luteolin 7-glucoside 170619 314929 8579 8579 820746 8579 Lys-Ile Lys-Ile 1734 31401 114069 467845 1734 330974 Lys-Leu Lys-Leu 999 175107 999 918595 9990 298776 Lys-Phe Lys-Phe 8618 45170 862 414747 862 63724 Madecassic acid 100358 2319050 1612 1612 62208 1612 Malathion Malathion 1054 1054 5678 1054 6827022 1054 Malvidin 3_5-diglucoside cation 484 71145 484 13783 484 484 Marein 24187 186920 380 380 6604022 380 Medroxyprogesterone Medroxyprogesterone 7464 2002696 608 2600658 6080 397985 Mellein 133390 427136 409 17279912 29436 116258 Mesterolone Mesterolone 728 1674639 728 728 728 46972 Metalaxyl Metalaxyl 428 428 428 428 265219 428 Methyl jasmonate Methyl jasmonate 5177 1220891 16736 187336 13551 155998 Methyl trans-cinnamate 27153 2158840 1039115 255894 338702 365954 Methyl vanillate Methyl vanillate 15084 64301 124 29176 16242 280537 Methysticin 5657 1223 122 5030 1008575 310391 Met-Leu Met-Leu 301 260689 3457 517281 301 207735 Met-Phe Met-Phe 1523 224860 15232 745860 26069 1067697 Met-Val Met-Val 1285 153117 12853 2241140 27888 545679 MGDG 34:2 MGDG 34:2 179334 1566968 107946 583914 40697 4045540 MGDG 34:3 MGDG 34:3 49763 9525609 478265 540330 12561 1229815 MGDG 34:4 MGDG 34:4 40849 1398943 189260 199187 23440 127366 MGDG 34:5 MGDG 34:5 272942 959799 185387 2769779 865825 242688 MGDG 34:6 MGDG 34:6 18456 2295113 442 297988 442 111074 MGDG 35:3 MGDG 35:3 287 362166 287 287 287 34126 MGDG 36:3 MGDG 36:3 173953 1306760 272526 157182 317830 842994 MGDG 36:4 MGDG 36:4 2356556 5763232 1133056 1629738 861657 10651260 MGDG 36:5 MGDG 36:5 2222007 19123006 2350615 4621694 678351 11207269 MGDG 36:6 MGDG 36:6 10594559 158417216 7588607 65856412 4090674 14216824 MGDG 37:4 MGDG 37:4 386 318625 386 386 3859 117474 MGDG 37:5 MGDG 37:5 606 604537 606 606 606 36826 MGDG 38:6 MGDG 38:6 292 1826893 12579 18906 292 2918 Mianserin N-oxide 242 242 62380 2416 242 242 Monoelaidin 345202 1533554 1026663 401673 256019 675085 Monoisobutyl phthalate Monoisobutyl phthalate 31871 732241 441 404822 99518 1768671 Monolinolenin (9c_12c_15c) 245894 137140944 2924590 16695022 290716 1295368 Monopalmitolein (9c) 5331 2919640 18236 287594 3401 171119 Muscone 47894 444206 121455 465573 58869 908606 Myricetin Myricetin 11442 413 413 11817 413 413 Myristoleic acid Myristoleic acid 6305643 296852 456216 93307 415155 280011 N1-(3-Aminopropyl)-N1-methylpropane-1_3-diamine 1127 9451 1127 727134 2286353 25630 N-[(3s_5s_7s)-Adamantan-1-yl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide 39951 380063 11383 93431 12967833 195191 N6-Isopentenyladenosine N6-Isopentenyladenosine 495 511363 168509 562965 86086 495 N8-Acetylspermidine N8-Acetylspermidine 258184 27152 2715 2715 324008 1984475 N-Acetyl-DL-leucine 486133 674394 4495854 6697498 839122 2302347 N-Acetyl-S-farnesyl-L-cysteine 290970 706982 3820723 3618946 1858646 5350972 N-Acetyl-S-geranylgeranyl-L-cysteine 35785 1042442 108539 36518 460 2878578 N-Acetyltryptophan N-Acetyl-tryptophan 624 3500964 6239 31697 624 13253 Nandrolone Nandrolone 3190 174596 3190 891117 3190 347625 Naringenin Naringenin 639319 4666 4666 4666 2624572 64440 Naringenin 4^_7-dimethylether 177 36358 177 18332 177 5212 Naringenin-7-O-glucoside Naringenin-7-O-glucoside 430 3761572 790641 430 212483 430 Naringin dihydrochalcone 410 9299 5311 410 7703311 7298 N-Benzyl-.alpha.-methylbenzylamine 10537 3532 367436 2572 3652 10435 N-Caffeoyl-O-methyltyramine 265626 26952486 65624 728868 173213 590358 NCGC00380819-01_C16H22O9_ 7722 484 5201 484 510060 484 Neochlorogenic acid Neochlorogenic acid 1289098 1649819 2676195 866151 702910 6735236 Neohesperidose Neohesperidose 1287536 6167 36239 617 14330 617 Nepetin 7-glucoside 307562 12856 714 7139 7242 714 N-Ethyl-N-methylcathinone 32659 115712 411980 361710 3193175 394978 Nilutamide 5485 548 14496 548 548 548 N_N-Dimethyl-L-valine 33070 31477 13004589 39081576 2319955 15969391 N-Oleoylglycine N-Oleoyl glycine 1274688 2522836 1834858 224176 75179 212861 Nootkatone 6386 137416 271 271 2231450 2708 Notopterol 641 641 641 7456 641 641 N-Palmitoyl-D-sphingosine 11250937 21598350 16457290 3529574 1123188 2878614 Oenin 214720 19072 65487 425 425 14103 Oleamide Oleamide 86247680 173571376 126181672 12056625 1907973 6453636 Oleanolic acid methyl ester 267198 5998 600 600 600 600 O-Methyltyramine 60170 142795 21406 87321 394164 7468852 Oxyresveratrol 166758 3554476 520 1225971 298762 178567 Palmitelaidic acid Palmitelaidic acid 6938456 40584 34589 6638 22303 53177 Palmitic acid alkyne 680181 306086 3706 879244 3706 83578 Palmitoyleicosapentaenoyl phosphatidylcholine 3966285 13753829 1357200 40370440 3083041 1317587 Palmitoylserinol 232 2317 1356732 232 232 16738 Parthenolide 9764 748399 533 692079 37548 21011 Patulin 53525 408 22959 15930 14910 18150 PC 32:2 PC 32:2 2331328 277430 1058093 1216606 2829261 1426914 PC 34:3 PC 34:3 4215287 23285456 2012357 23974722 6712702 8712025 PC 34:4 PC 34:4 1036249 3434934 988483 9401926 2530003 1728353 PC 35:3 PC 35:3 466275 841657 662692 760678 426508 373188 PC 36:4 PC 36:4 36495264 14652008 23846942 34760920 18231184 15718191 PC 38:2 PC 38:2 3000734 349898 945093 1782407 318716 725770 PC 38:7e PC O-38:7 2600508 371546 1302577 1728267 691472 1769842 PC 38:8e PC O-38:8 1679973 372264 1581614 11194381 1500985 2837382 PC 40:10 PC 40:10 83244 695 30889 1877563 6951 7777 PC 40:10e PC O-40:10 2346313 50651 407427 5945776 536701 608808 PC 40:11e PC O-40:11 228184 96826 135939 8487240 199040 259326 PE 32:3 PE 32:3 91845 600 23570 214050 1409778 55402 PE 36:2_1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine 3552233 460314 1712588 2225726 888076 1322818 PE 36:3 PE 36:3 2105709 502965 2895351 1738667 2824587 429728 PE 36:5 PE 36:5 20286902 6581438 3120079 63176348 25530016 7310068 Peimine Peimine 163266 163266 163266 163266 163266 11405020 Pelargonidin cation 689352 449780 180651 223166 104488272 181230 Peltatoside 62002 58281 193 193 193 193 Penthiopyrad 410 410 410 410 322745 410 Peonidin-3-O-alpha-arabinopyranoside 59091 29101 13697 346 14291588 26410 Petunidin 3-glucoside cation 345890 9358 362 362 9303 7815 Petunidin cation 39521 109 109 109 109 109 Phe-Ala Phe-Ala 290 53196 290 118015 6790 465630 Phe-Glu-Arg Phe-Glu-Arg 901 65356 328710 11987 209302 801128 Phe-Leu Phe-Leu 40508 4949723 317513 923102 438205 9410183 Phe-Met Phe-Met 4976 435 435 4773 435 9764 Phenol_ 5-(1_1-dimethyloctyl)-2-[(1S_3S)-3-hydroxycyclohexyl]- 725 23967 725 2851063 7250 725 Pheophorbide a Pheophorbide a 673073 131941744 210365 2345731 448718 612822 Phe-Phe Phe-Phe 314 317791 5811 17543 21823 748777 Phe-Val Phe-Val 19429 1097098 218065 687483 76130 1200432 Phloretin Phloretin 76247552 1247 1247 1247 18127258 1247 Phlorizin Phlorizin 14104232 1707 1707 1707 2020746 1707 Phytic acid Myo-inositol hexakisphosphate 17177 17177 17177 17177 17177 17177 Phytosphingosine Phytosphingosine 4030060 1235124 1898263 710168 288170 5255770 (+)-Pinoresinol Pinoresinol 171850 9173887 114470 36708 587903 14666 Piperazine_ 1-cyclohexyl-4-(1_2-diphenylethyl)- 442 442 442 1565356 442 442 Polygodial 2021028 220321 22664 144864 93815 82208 Procyanidin A2 99170 126 1256 126 42997 126 Procyanidin B2 Procyanidin B2 333424 2117 2117 2117 37429268 2117 Pro-Gln Pro-Gln 22159 22159 22159 22159 22159 22159 Pro-Leu-Lys Pro-Leu-Lys 17990 576130 1799 1329383 273750 3857134 Protopanaxadiol 78476 66178 367 21008 367 8081832 Pygenic acid C 2268928 5749 575 575 11981 575 Pyraclostrobin a 2008036 451 22227 451 4506 5949684 Pyraclostrobin b 132435 129 26182 129 129 274491 Pyrimethanil 45245 6459 204 204 163679648 204 Pyroglutamic acid Pyroglutamic acid 133707 302669 133680 958464 460045 1053892 Quercetin 3_4^-di-O-glucoside 12133239 2318276 233679 472621 8709559 750191 Quercetin-3-Glucuronide 160156 11458 33492 4902766 130963920 8263 Quercetin 3^-methyl ether 26060 22445 70104 2444 71870 244 Quercetin 3-O-.beta.-D-glucose-6^-acetate 2234 2234 2234 2234 1098740 2234 Quercetin 3-O-malonylglucoside Quercetin 3-O-malonylglucoside 749661 2618046 1751 18826012 1751125 1751 Quercitrin Quercitrin 21448708 623943 169508 61062 6223856 6370 Ramelteon 4900 10575 393 9876 393 172310 Rhoifolin 60052 128 7029 33448 88318288 7856 Riboflavin Riboflavin 6274 856677 2303933 1570778 692326 627 Rosmarinic acid Rosmarinic acid 104238 148294015 1203 76373 1203 1203 Rotenone Rotenone 698 698 698 3511698 698 698 R-(-)-Phenyl-1_2-ethanediol 129082 920176 60719336 167555 1001900 5769966 Rutinose 3708788 176333 3357 3357 235583 3357 RUTOSIDE (rutin) 219841 14756 1476 1476 56503 881091 Salicin Salicin 347098 6506 651 12254 1127890 379495 Salvianolic acid B 11187 12980081 11187 111869 11187 11187 santin 78 1902119 78 78 78 78 Sarsasapogenin 3521 3521 3924370 3521 3521 3521 S-Bioallethrin 60170 75890 21406 87321 394164 7468852 Sclareolide 1190523 58205 141527 65172 37366 33033 Scopoletin Scopoletin 476 476 476 476 476 476 Scopolin Scopolin 2165956 98098 780 178398 8845 464856 Sebacic acid monomethyl ester 34731 369797 35985 52053 72583 183677 (-)-Secoisolariciresinol Secoisolariciresinol 118 118 45373 5852 118 118 Sedanolide 55185 235489 39973 45551980 542014 774251 Ser-Leu Ser-Leu 5272 3607252 1926199 14904747 317862 2207479 Serotonin Serotonin 4241613 249803 590 590 869694 125214432 Ser-Phe Ser-Phe 561 5615 442310 664443 561 742591 Ser-Trp Ser-Trp 3975 106250 300452 1833853 3975 270243 Simmondsin 2^-ferulate 3273619 376939 261647 214550 168280 2582380 Sinapoylmalate 1943798 2360800 65399 707278 14971313 2977068 Sinapyl alcohol Sinapyl alcohol 371086 1144962 95 47140576 57375 481639 skullcapflavone II 1342 3369346 1342 1342 1342 1342 Solstitialin A 89043 228 552352 224680 127291 31424 Solstitialin A 13-acetate 8033 8033 8033 23788001 8033 8033 Spermidine Spermidine 18587 38365 18086 246526 618965 29330 SQDG 32:0 SQDG 32:0 19646 3120990 31852 241373 384109 109153 SQDG 34:3 SQDG 34:3 202486 2957536 40024 923558 485655 68613 SQDG 36:3 SQDG 36:3 24979 623348 361 134324 82289 361 SQDG 36:6 SQDG 36:6 1280 1111519 1280 187634 1280 1280 Stearidonic acid ethyl ester 34329 30284 278106 128141 154287 121969 Stearidonic acid methyl ester 1639 21545 1639 728034 1639 135692 Sterigmatocystin Sterigmatocystin 485 485 7194 485 485 485 Suberic acid Suberic acid 36523 18663 6638 320158 23692 35384 Sucrose Sucrose 6386662 7938 7938 364383 961171 7938 Sumaresinolic acid 22359468 33310906 1356 1356 720183 1356 Sweroside 107 107 107 107 2686562 128225 Syringaldehyde SYRINGALDEHYDE 16112 289517 256238 199624 379 9659 Syringetin 3-galactoside 427 427 427 427 427 427 Syringetin 3-glucoside 676 676 676 676 676 676 TAG 50:2 TG 50:2 260 260 260 260 260 3182 TAG 51:5 TG 51:5 193 193 32402 193 193 193 TAG 52:3 TG 52:3 265 265 690 265 265 7995 TAG 52:4 TG 52:4 46939 339 192837 339 339 111211 TAG 52:5 TG 52:5 9371 197 101583 197 13900 14791 TAG 52:6 TG 52:6 223 31742 28322 2233 14612 7918 TAG 53:6 TG 53:6 55 55 30729 55 55 55 TAG 54:4 TG 54:4 68 68 34969 68 68 6444 TAG 54:5 TG 54:5 5184 376 2674 376 376 92535 TAG 54:6 TG 54:6 543696 2031 1289016 17014 36426 35279 TAG 54:7 TG 54:7 209474 6294 448676 26199 59205 20903 TAG 54:8 TG 54:8 59131 20606 56732 40571 55479 7925 TAG 54:9 TG 54:9 5834 193585 404 41357 61733 2946 Tectoridin 208636 25416 42390 24403 2788580 25817 Tetrahydrocannabivarin 365 458277 365 21354 365 3646 Theaflavin Theaflavin 4171 4171 4171 4171 4171 4171 Thiamine cation Thiamine 184579 1736639 350344 26745378 1625567 6852554 Thr-Leu Thr-Leu 233 353969 30634 1906370 2327 1202811 Thr-Trp Thr-Trp 196 23420 196 18513 196 37333 Thr-Val-Leu Thr-Val-Leu 465 8918 465 705487 465 28487 Tilidine 424 11686 424 1032937 424 424 Tiliroside 17585 372 372 372 1977754 372 Timosaponin A-III 17962 17962 7614416 17962 17962 609760 Timosaponin B II 18509 18509 3826120 18509 18509 627056 trans-3_5-Dimethoxy-4-hydroxycinnamaldehyde Sinapoyl aldehyde 5313 61030 864 16276 23766 37509 trans-Cinnamic acid trans-Cinnamic acid 123603 81555 37334 107587 42785116 292211 trans-Ferulic acid trans-Ferulic acid 346847 4131730 444694 214951 197396 769933 trans-Traumatic acid Traumatic acid 312 1376324 312 1163517 18811 79045 Tri(3-chloropropyl) phosphate 261088 7493832 407299 830311 392863 339453 Tricin Tricin 1562 942717 1562 168067 1562 1562 Triethyl phosphate Triethyl phosphate 313740 117119 141210 91616 30823 114559 Triptophenolide 135 10611 135 135 135 1351 Tris(2-chloroethyl) phosphate 3285 89321 3285 3285 3285 3285 Tris(2-chloropropyl) phosphate 259380 6515174 6117708 787184 357513 301299 Trp-Ala Trp-Ala 886 886 146342 74900 87397 3647042 Tryptamine Tryptamine 3048 63836 160392 22772 13527 62459610 Tyr-Leu Tyr-Leu 198 1787681 82861 286057 1983 785706 Tyr-Phe Tyr-Phe 5050 322 322 5190 322 7369 Tyr-Val Tyr-Val 4604 179779 1255198 849070 46035 793562 Ursolic acid Ursolic acid 52077125 30247960 77082 49364 228825 161644 Ursolic acid methyl ester 72886 734300 321 122227 44132152 3207 Usnic acid 777 54527 777 8445 777 777 Uvaol 3923252 1664490 93678 43115 72075 799688 Valerenic acid 87761 593560 27555 3769892 103497 60422 Val-Gly-Val Val-Gly-Val 20286 153694 1160 2122316 1160 429536 Val-Ile Val-Ile 809 58086 687127 1013236 8092 355545 Val-Leu Val-Leu 98777 6727412 3288360 15753098 561473 8547861 Val-Met Val-Met 25504 617368 1251306 1281470 255038 2325873 Val-Phe Val-Phe 79 15843 79 170164 319662 253502 Val-Trp Val-Trp 11360 47490 38199 30367 30872 26264 Val-Tyr Val-Tyr 16778 666179 1678 2152871 201314 1266778 Val-Val Val-Val 1535 2191976 1622151 4891487 395050 1998431 Zerumbone 435320 721808 584 350076 529832 918176 Z-Ligustilide 8085 4007681 84 20198 42757 1460639