Data for ST000335
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 |
|---|---|---|---|---|---|---|
| 11-Aminoundecanoic acid | 459500.00 | 694200.00 | 545400.00 | 453433.33 | 371366.67 | |
| 11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-... | 132940.00 | 106020.00 | 130140.00 | 79700.00 | 76233.33 | |
| 1,2,3-Trihydroxybenzene | 1720400.00 | 903600.00 | 1647600.00 | 962000.00 | 1346666.67 | |
| 1,2,6-Hexanetriol | 12640000.00 | 12800000.00 | 12720000.00 | 12866666.67 | 12900000.00 | |
| 1,2-Diamino-4-nitrobenzene | 72660.00 | 23420.00 | 34520.00 | 37600.00 | 17841.67 | |
| 12-Hydroxydodecanoic acid | 1132000.00 | 1252000.00 | 1240000.00 | 1270000.00 | 1218333.33 | |
| 1,3,8-Naphthalenertriol | 1638000.00 | 1650000.00 | 1804000.00 | 1650000.00 | 1638333.33 | |
| 1,4-Naphthoquinone | 2490.00 | 3095.00 | 926720.00 | 2645.00 | 2925.00 | |
| 1-Aminocyclopropane-1-carboxylate | 1103400.00 | 425800.00 | 1064400.00 | 520000.00 | 459500.00 | |
| 1-Hydroxy-2-methyl-2-butenyl 4-diphosphate | 203040.00 | 69660.00 | 191160.00 | 44581.67 | 128700.00 | |
| 1-Octanal_1 | 6268000.00 | 5972000.00 | 6262000.00 | 6070000.00 | 6506666.67 | |
| 1-Octanal_2 | 1128800.00 | 1100000.00 | 1191600.00 | 1160500.00 | 1125000.00 | |
| 1-Octanal_3 | 988400.00 | 981800.00 | 999600.00 | 970666.67 | 992166.67 | |
| 1-Phenylethylamine | 4492000.00 | 6180000.00 | 5718000.00 | 6195000.00 | 4693333.33 | |
| 1-Pyrroline-2-carboxylate_1 | 619400.00 | 301800.00 | 1242280.00 | 460333.33 | 1057500.00 | |
| 1-Pyrroline-2-carboxylate_2 | 549400.00 | 310800.00 | 669600.00 | 213433.33 | 446333.33 | |
| 2,2-Dimethyl-8-prenylchromene 6-carboxylic acid | 27972.00 | 17853.33 | 380448.00 | 9686.67 | 45728.33 | |
| 2,3-Dimethylmaleate | 972600.00 | 228040.00 | 910600.00 | 371566.67 | 769666.67 | |
| 2,4-Dichlorobenzoate | 5596000.00 | 5298000.00 | 5210000.00 | 5486666.67 | 5521666.67 | |
| 2,4-Dihydroxypteridine | 1974000.00 | 2160000.00 | 2308000.00 | 2391666.67 | 2626666.67 | |
| 2-Aceto-2-hydroxybutanoate | 2226000.00 | 2480600.00 | 5101400.00 | 2592333.33 | 2875000.00 | |
| 2-Amino-5-chlorophenol | 101980.00 | 53040.00 | 301660.00 | 81200.00 | 43416.67 | |
| (2E,6E)-Farnesol | 654200.00 | 798800.00 | 803400.00 | 785166.67 | 616666.67 | |
| 2-Ethylhexyl phthalate_1 | 6496000.00 | 6202000.00 | 6760000.00 | 6623333.33 | 6566666.67 | |
| 2-Ethylhexyl phthalate_2 | 217880.00 | 273800.00 | 245200.00 | 255333.33 | 276833.33 | |
| 2-Hydroxyfelbamate_1 | 2472000.00 | 4356000.00 | 1769000.00 | 3242833.33 | 3093333.33 | |
| 2-Hydroxyfelbamate_2 | 885600.00 | 2076200.00 | 1880200.00 | 1364833.33 | 1618166.67 | |
| 2-Hydroxymethylclavam | 280260.00 | 87880.00 | 354440.00 | 1597210.00 | 205833.33 | |
| 2-Maleylacetate | 27080000.00 | 18898000.00 | 19602000.00 | 17346666.67 | 19988333.33 | |
| 2-Methylisoborneol | 16900000.00 | 15920000.00 | 15080000.00 | 14966666.67 | 14883333.33 | |
| 2-(Methylthio)ethanesulfonate | 146184.00 | 14226.00 | 28680.00 | 15873.33 | 9756.67 | |
| 3-(2-Hydroxyphenyl)propanoate_1 | 7764000.00 | 7410000.00 | 7500000.00 | 7528333.33 | 7808333.33 | |
| 3-(2-Hydroxyphenyl)propanoate_2 | 2042000.00 | 1972000.00 | 1930000.00 | 1993333.33 | 1916666.67 | |
| 3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]... | 1089600.00 | 827200.00 | 887200.00 | 865666.67 | 914333.33 | |
| 3,4-Dihydroxy-L-phenylalanine | 1601200.00 | 1262220.00 | 5260720.00 | 1480950.00 | 1901666.67 | |
| 3-(4-Hydroxyphenyl)lactate | 2832.00 | 3403.33 | 833197.50 | 3354.00 | 3340.00 | |
| 3,4-Methylenedioxymethamphetamine | 28680000.00 | 29480000.00 | 28420000.00 | 29516666.67 | 29316666.67 | |
| (3-Arylcarbonyl)-alanine | 603400.00 | 460200.00 | 562400.00 | 293916.67 | 3272000.00 | |
| 3-Buten-1-amine | 1868000.00 | 1055600.00 | 2410200.00 | 1041000.00 | 1136166.67 | |
| 3-Butylidene-7-hydroxyphthalide | 1263800.00 | 1240000.00 | 1410000.00 | 1360000.00 | 1331666.67 | |
| 3-(Dimethylamino)propyl benzoate | 1138000.00 | 1144000.00 | 1130000.00 | 1131666.67 | 1131666.67 | |
| 3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate | 153620.00 | 133680.00 | 890650.00 | 155766.67 | 145871.67 | |
| 3-(Hydrohydroxyphosphoryl)pyruvate | 1182000.00 | 4577600.00 | 2829200.00 | 2327166.67 | 3493333.33 | |
| 3-Methoxybenzyl alcohol_1 | 423200.00 | 427200.00 | 328200.00 | 349316.67 | 368333.33 | |
| 3-Methoxybenzyl alcohol_2 | 74720.00 | 20524.00 | 34920.00 | 35458.33 | 44335.00 | |
| 3-Methyl-2-oxobutanoic acid_1 | 2143000.00 | 848800.00 | 1955600.00 | 718583.33 | 1263666.67 | |
| 3-Methyl-2-oxobutanoic acid_2 | 134180.00 | 61680.00 | 89200.00 | 76600.00 | 83100.00 | |
| 3-Oxododecanoic acid_1 | 345200.00 | 229000.00 | 287000.00 | 310500.00 | 318500.00 | |
| 3-Oxododecanoic acid_2 | 205400.00 | 223260.00 | 222200.00 | 152150.00 | 217333.33 | |
| 3-Oxohexobarbital | 2750.00 | 11990.00 | 149697.50 | 10803.33 | 8676.00 | |
| 3-tert-Butyl-5-methylcatechol_1 | 521200.00 | 575200.00 | 512400.00 | 487166.67 | 432000.00 | |
| 3-tert-Butyl-5-methylcatechol_2 | 67820.00 | 87948.00 | 44680.00 | 48750.00 | 61083.33 | |
| 3-tert-Butyl-5-methylcatechol_3 | 89720.00 | 57000.00 | 68260.00 | 99333.33 | 100416.67 | |
| 4-Aminobiphenyl | 11100000.00 | 11620000.00 | 11280000.00 | 11233333.33 | 11150000.00 | |
| 4-Aminobutanoate | 2566000.00 | 2226000.00 | 3216000.00 | 2305000.00 | 2273333.33 | |
| 4-Heptyloxyphenol | 8184000.00 | 8336000.00 | 8604000.00 | 8278333.33 | 8175000.00 | |
| 4-Hydroxy-2-butynal_1 | 1135400.00 | 524800.00 | 1246020.00 | 547150.00 | 802833.33 | |
| 4-Hydroxy-2-butynal_2 | 22598.00 | 44020.00 | 147840.00 | 37236.67 | 60750.00 | |
| 4-Hydroxybutanoic acid | 226820.00 | 91720.00 | 302740.00 | 146066.67 | 147516.67 | |
| 4-Hydroxyphenylacetate_1 | 98880.00 | 66700.00 | 405800.00 | 465533.33 | 304666.67 | |
| 4-Hydroxyphenylacetate_2 | 2156000.00 | 2144000.00 | 2582000.00 | 2130000.00 | 2131666.67 | |
| 4-Methylene-L-glutamine | 404600.00 | 229140.00 | 601600.00 | 150883.33 | 234800.00 | |
| 4-Oxoproline_1 | 4542000.00 | 3778000.00 | 4910000.00 | 2948333.33 | 2865000.00 | |
| 4-Oxoproline_2 | 2052000.00 | 1575600.00 | 1286000.00 | 1518000.00 | 1185166.67 | |
| 5,6-Dihydrouracil | 116180.00 | 45840.00 | 141540.00 | 222781.67 | 157066.67 | |
| 5-Nitro-ortho-anisidine | 294200.00 | 132120.00 | 127640.00 | 118755.00 | 149766.67 | |
| 5-Oxo-1,2-campholide | 92620.00 | 129020.00 | 42640.00 | 69250.00 | 66883.33 | |
| (+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrah... | 437800.00 | 414400.00 | 272600.00 | 595666.67 | 519500.00 | |
| 6-Acetamido-3-oxohexanoate_1 | 96820.00 | 235630.00 | 578136.00 | 173843.33 | 143016.67 | |
| 6-Acetamido-3-oxohexanoate_2 | 14760.00 | 64614.00 | 279300.00 | 97143.33 | 13726.67 | |
| 6-endo-Hydroxycineole_1 | 26660000.00 | 26600000.00 | 26900000.00 | 26666666.67 | 26750000.00 | |
| 6-endo-Hydroxycineole_2 | 7482000.00 | 6628000.00 | 5194000.00 | 5448333.33 | 5101666.67 | |
| 6-Methoxymellein | 3252.00 | 3486.67 | 211377.50 | 3440.00 | 3236.67 | |
| (6S,9R)-Vomifoliol | 287000.00 | 380400.00 | 405800.00 | 396000.00 | 406500.00 | |
| 7,10,13,16-Docosatetraenoylethanolamine | 1660400.00 | 1738000.00 | 2018000.00 | 1903166.67 | 1743333.33 | |
| 7,8-Diaminononanoate | 1347200.00 | 540200.00 | 1964800.00 | 816333.33 | 937000.00 | |
| 8-Amino-7-oxononanoate | 215320.00 | 416360.00 | 291600.00 | 224500.00 | 165483.33 | |
| 9,10-Phenanthroquinone_1 | 41256.67 | 38232.50 | 666555.00 | 476600.00 | 379340.00 | |
| 9,10-Phenanthroquinone_2 | 508600.00 | 495600.00 | 440400.00 | 491333.33 | 490000.00 | |
| Abietate | 1316600.00 | 268760.00 | 1155120.00 | 345883.33 | 217000.00 | |
| Acetylagmatine | 122300.00 | 228020.00 | 167600.00 | 135433.33 | 151716.67 | |
| Adenine | 290240.00 | 71920.00 | 150700.00 | 141900.00 | 141950.00 | |
| Allantoin | 848800.00 | 635000.00 | 1244600.00 | 469833.33 | 1419166.67 | |
| Allopumiliotoxin 267A_1 | 768400.00 | 841000.00 | 862800.00 | 618833.33 | 753666.67 | |
| Allopumiliotoxin 267A_2 | 407600.00 | 214580.00 | 190600.00 | 246800.00 | 239900.00 | |
| alpha-Amylcinnamaldehyde | 342200.00 | 354400.00 | 394400.00 | 295500.00 | 387166.67 | |
| alpha-D-Galactosyl-N-acetyllactosamine | 26984.00 | 54424.00 | 138962.00 | 51488.00 | 10703.33 | |
| alpha-Ionone | 3056000.00 | 3022000.00 | 2940600.00 | 3450000.00 | 3135000.00 | |
| alpha-Irone_1 | 344400.00 | 350400.00 | 381000.00 | 331500.00 | 245433.33 | |
| alpha-Irone_2 | 356380.00 | 169600.00 | 172180.00 | 144116.67 | 214533.33 | |
| alpha-Irone_3 | 99200.00 | 133280.00 | 102420.00 | 95500.00 | 158533.33 | |
| alpha-Sinensal | 6322000.00 | 6464000.00 | 6326000.00 | 6323333.33 | 6335000.00 | |
| Amphetamine | 2788000.00 | 2940000.00 | 2922000.00 | 2953333.33 | 2873333.33 | |
| Anandamide_1 | 1607400.00 | 1465200.00 | 1522000.00 | 1711666.67 | 1606833.33 | |
| Anandamide_2 | 67820.00 | 73120.00 | 119240.00 | 128900.00 | 72066.67 | |
| Apiole | 980000.00 | 990200.00 | 1123000.00 | 1012833.33 | 1002833.33 | |
| Auricularine_1 | 803210.00 | 1053102.50 | 488822.00 | 1003336.67 | 1135842.50 | |
| Auricularine_2 | 320817.50 | 489600.00 | 830063.33 | 484870.00 | 534020.00 | |
| Auricularine_3 | 238957.50 | 649817.50 | 806772.00 | 195548.33 | 344120.00 | |
| Auricularine_4 | 447767.50 | 32037.50 | 103043.33 | 453712.50 | 447750.00 | |
| Auricularine_5 | 4195.00 | 30790.00 | 1180000.00 | 425333.33 | 37976.67 | |
| Auricularine_6 | 222683.33 | 807035.00 | 108700.00 | 144195.00 | 252752.50 | |
| Bakkenolide A | 2620000.00 | 2538000.00 | 2548000.00 | 2603333.33 | 2595000.00 | |
| Benzamide | 5814000.00 | 6018000.00 | 6414000.00 | 6181666.67 | 5468333.33 | |
| Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate | 2369800.00 | 1296400.00 | 2262000.00 | 1524000.00 | 1090833.33 | |
| Benzyl alcohol | 1066000.00 | 1080000.00 | 1056000.00 | 1083333.33 | 1050833.33 | |
| beta-Citryl-L-glutamate | 3542000.00 | 4892000.00 | 4929800.00 | 3941666.67 | 3113166.67 | |
| Bis(1-aziridinyl)morpholinophosphine sulfide_1 | 28600.00 | 12314.00 | 47780.00 | 33266.67 | 27283.33 | |
| Bis(1-aziridinyl)morpholinophosphine sulfide_2 | 374400.00 | 412200.00 | 437400.00 | 389833.33 | 390500.00 | |
| Bis(2-chloro-1-methylethyl)ether | 7594000.00 | 7576000.00 | 7330000.00 | 7686666.67 | 7473333.33 | |
| Bis(2-chloroethyl)ether | 55500.00 | 100040.00 | 163900.00 | 68200.00 | 97383.33 | |
| (+)-Bornane-2,5-dione_1 | 237040.00 | 141040.00 | 184640.00 | 274233.33 | 254383.33 | |
| (+)-Bornane-2,5-dione_2 | 33108.00 | 32580.00 | 26388.00 | 26606.67 | 77650.00 | |
| (+)-Bornane-2,5-dione_3 | 33340.00 | 29744.00 | 29520.00 | 23673.33 | 53850.00 | |
| (+)-Bornane-2,5-dione_4 | 23028.00 | 64380.00 | 38640.00 | 34283.33 | 59035.00 | |
| Botrydial | 492800.00 | 514600.00 | 464400.00 | 464833.33 | 483333.33 | |
| Brunfelsamidine | 36840000.00 | 44700000.00 | 48120000.00 | 41633333.33 | 44000000.00 | |
| Buddledin A_1 | 950000.00 | 960800.00 | 932600.00 | 997500.00 | 1005500.00 | |
| Buddledin A_2 | 350800.00 | 353200.00 | 348800.00 | 390166.67 | 376000.00 | |
| Butanoylphosphate | 53168.00 | 9492.80 | 96338.00 | 35833.33 | 32600.00 | |
| Butopyronoxyl_1 | 971800.00 | 926800.00 | 717800.00 | 794216.67 | 765833.33 | |
| Butopyronoxyl_2 | 87520.00 | 78920.00 | 54380.00 | 67516.67 | 47116.67 | |
| Canthin-6-one | 717800000.00 | 710200000.00 | 708000000.00 | 703500000.00 | 695000000.00 | |
| Capsi-amide_1 | 999200.00 | 686600.00 | 950600.00 | 1032833.33 | 633666.67 | |
| Capsi-amide_2 | 136440.00 | 91000.00 | 137520.00 | 110966.67 | 127116.67 | |
| Capsi-amide_3 | 258280.00 | 329540.00 | 1094600.00 | 347800.00 | 1217833.33 | |
| Carboxynorspermidine | 519000.00 | 816000.00 | 760000.00 | 646833.33 | 682333.33 | |
| (-)-Carvone | 1252000.00 | 1278000.00 | 1298000.00 | 1230000.00 | 1281666.67 | |
| Catechol | 942000.00 | 1023440.00 | 1978200.00 | 1029750.00 | 1177833.33 | |
| Cerulenin_1 | 484000.00 | 512200.00 | 501000.00 | 509333.33 | 475833.33 | |
| Cerulenin_2 | 17882.00 | 16500.00 | 204988.00 | 15618.33 | 13220.00 | |
| Cinnamaldehyde | 1646000.00 | 1554000.00 | 979800.00 | 1308500.00 | 1087666.67 | |
| cis-1,2-Dihydronaphthalene-1,2-diol_1 | 1522000.00 | 1456000.00 | 1460000.00 | 1490000.00 | 1455000.00 | |
| cis-1,2-Dihydronaphthalene-1,2-diol_2 | 192240.00 | 173960.00 | 184580.00 | 153816.67 | 150900.00 | |
| cis-1,2-Dihydronaphthalene-1,2-diol_3 | 422800.00 | 659400.00 | 528200.00 | 513333.33 | 559000.00 | |
| cis-1,2-Dihydronaphthalene-1,2-diol_4 | 359800.00 | 512400.00 | 503400.00 | 449666.67 | 555000.00 | |
| cis-4,5-Dihydroxy-4,5-dihydropyrene | 936400.00 | 1154600.00 | 936000.00 | 875850.00 | 926666.67 | |
| cis-Aconitate | 74040.00 | 113626.00 | 165748.00 | 83900.00 | 59116.67 | |
| Civetol | 885800.00 | 584000.00 | 1087600.00 | 1185333.33 | 397666.67 | |
| Coniine | 7814400.00 | 16472800.00 | 9079800.00 | 10973000.00 | 5023500.00 | |
| Creatine | 59960000.00 | 36760000.00 | 59960000.00 | 38550000.00 | 44150000.00 | |
| Creatinine | 11064000.00 | 6732000.00 | 12182000.00 | 6546666.67 | 14780000.00 | |
| Crotanecine | 1240200.00 | 557800.00 | 3621800.00 | 978466.67 | 2482333.33 | |
| Cryptopleurine | 4424000.00 | 4992000.00 | 5190000.00 | 4761666.67 | 4361666.67 | |
| Cycloheptanecarboxylic acid | 2848000.00 | 2868000.00 | 2800000.00 | 2761666.67 | 2816666.67 | |
| Cyclohexane-1,3-dione_1 | 15220000.00 | 14240000.00 | 13820000.00 | 14200000.00 | 14983333.33 | |
| Cyclohexane-1,3-dione_2 | 374400.00 | 344400.00 | 337800.00 | 519000.00 | 364000.00 | |
| Cyclohexane-1,3-dione_3 | 2124000.00 | 2128000.00 | 2148000.00 | 2083333.33 | 1955000.00 | |
| Cyclohexanone | 512400.00 | 503000.00 | 659400.00 | 869500.00 | 566000.00 | |
| Cyclohexylsulfamate | 1732000.00 | 1888000.00 | 1562000.00 | 1533333.33 | 7840000.00 | |
| Cytidine | 2312000.00 | 1019800.00 | 2253800.00 | 959833.33 | 1469000.00 | |
| Cytosine | 2266000.00 | 973600.00 | 2011400.00 | 909000.00 | 1386833.33 | |
| D-2-Hydroxyisocaproate_1 | 216800.00 | 185080.00 | 166400.00 | 174600.00 | 384950.00 | |
| D-2-Hydroxyisocaproate_2 | 114620.00 | 119940.00 | 153600.00 | 71050.00 | 91783.33 | |
| D-2-Hydroxyisocaproate_3 | 58620.00 | 37100.00 | 67840.00 | 52900.00 | 175866.67 | |
| Dacarbazine | 512600.00 | 547400.00 | 425400.00 | 458666.67 | 625500.00 | |
| Danielone | 2625.00 | 3256.00 | 248272.00 | 2796.00 | 3074.00 | |
| D-Cathinone | 38780.00 | 41484.00 | 59812.00 | 67250.00 | 16428.33 | |
| Decanoic acid | 695800.00 | 797400.00 | 602000.00 | 653150.00 | 603333.33 | |
| Deoxyribose | 21412.00 | 43722.00 | 173278.00 | 47420.00 | 34613.33 | |
| Desflurane | 22280000.00 | 22060000.00 | 22480000.00 | 22266666.67 | 22800000.00 | |
| Di(2-ethylhexyl) adipate | 1549600.00 | 1598000.00 | 1832000.00 | 1876666.67 | 1761666.67 | |
| Diacetyl_1 | 1744600.00 | 1188800.00 | 2230800.00 | 1283666.67 | 1290166.67 | |
| Diacetyl_2 | 730800.00 | 463000.00 | 558000.00 | 593666.67 | 745666.67 | |
| Diacetyl_3 | 352100.00 | 244080.00 | 526000.00 | 217200.00 | 399333.33 | |
| Dibasic sodium phosphate | 29140000.00 | 32280000.00 | 26260000.00 | 36183333.33 | 29900000.00 | |
| Dichloromethane | 10318000.00 | 11238000.00 | 8000000.00 | 13396666.67 | 14081666.67 | |
| Dicyclohexylamine | 1690000.00 | 1724000.00 | 1926000.00 | 1818333.33 | 1712500.00 | |
| Diethanolamine | 582200.00 | 530200.00 | 916800.00 | 450166.67 | 563333.33 | |
| Dihydro-4,4-dimethyl-2,3-furandione | 3456000.00 | 3872000.00 | 8252000.00 | 3806666.67 | 4503333.33 | |
| Diisononyl phthalate_1 | 100020.00 | 133300.00 | 152560.00 | 145655.00 | 56868.33 | |
| Diisononyl phthalate_2 | 428322.00 | 470640.00 | 191620.00 | 751171.67 | 200866.67 | |
| Diisopropyl phosphate | 248320.00 | 309000.00 | 309600.00 | 333333.33 | 245700.00 | |
| DIMBOA | 645200.00 | 609062.50 | 2402480.00 | 379168.33 | 469000.00 | |
| Dinitrochlorobenzene | 242240.00 | 70658.00 | 179862.00 | 100650.00 | 125650.00 | |
| Dinitrosopentamethylenetetramine_1 | 540800.00 | 600800.00 | 618000.00 | 527166.67 | 690333.33 | |
| Dinitrosopentamethylenetetramine_2 | 125000.00 | 90800.00 | 95240.00 | 117233.33 | 80600.00 | |
| Dodecanamide | 1146000000.00 | 1148000000.00 | 1154000000.00 | 1156666666.67 | 1155000000.00 | |
| Dodecanoic acid | 409600.00 | 211840.00 | 162280.00 | 106483.33 | 168066.67 | |
| Dodemorph | 1621600.00 | 1393600.00 | 1662000.00 | 1663333.33 | 1765000.00 | |
| Dopamine | 102180.00 | 167740.00 | 68880.00 | 123183.33 | 122466.67 | |
| (E)-4-(Trimethylammonio)but-2-enoate_1 | 2041000.00 | 1218400.00 | 2619400.00 | 1424166.67 | 1350166.67 | |
| (E)-4-(Trimethylammonio)but-2-enoate_2 | 134920.00 | 83800.00 | 106380.00 | 117583.33 | 151633.33 | |
| Ephedrine_1 | 1031000.00 | 974280.00 | 975200.00 | 995166.67 | 1103666.67 | |
| Ephedrine_2 | 185560.00 | 356020.00 | 302400.00 | 306050.00 | 110083.33 | |
| Ethyl 3-(N-butylacetamido)propionate | 645200.00 | 697000.00 | 714800.00 | 689333.33 | 659666.67 | |
| Ethyl isovalerate_1 | 292480.00 | 329400.00 | 292940.00 | 236450.00 | 335516.67 | |
| Ethyl isovalerate_2 | 311100.00 | 364800.00 | 433200.00 | 206950.00 | 371950.00 | |
| Ethyl (R)-3-hydroxyhexanoate | 451600.00 | 437800.00 | 487800.00 | 509000.00 | 425000.00 | |
| Ethyl tiglate_1 | 1085400.00 | 1131400.00 | 994200.00 | 1306833.33 | 1143333.33 | |
| Ethyl tiglate_2 | 936600.00 | 446360.00 | 600400.00 | 692666.67 | 602766.67 | |
| Fagomine | 674200.00 | 441600.00 | 807400.00 | 473833.33 | 473833.33 | |
| Furfuryl alcohol | 1403560.00 | 454080.00 | 863200.00 | 494933.33 | 526000.00 | |
| Gallate | 1280.00 | 1875.00 | 1157650.00 | 1716.67 | 2076.67 | |
| gamma-Coniceine | 5354000.00 | 5536000.00 | 5772000.00 | 5848333.33 | 5273333.33 | |
| gamma-Undecalactone | 3788000.00 | 3604000.00 | 4234000.00 | 3438333.33 | 3898333.33 | |
| Genipin | 9292.00 | 6986.00 | 691628.00 | 7403.33 | 8545.00 | |
| Geosmin | 8464000.00 | 8976000.00 | 8434000.00 | 8560000.00 | 8005000.00 | |
| Geranyl formate_1 | 673600.00 | 579600.00 | 534800.00 | 513666.67 | 318166.67 | |
| Geranyl formate_2 | 838000.00 | 801600.00 | 463440.00 | 884166.67 | 557883.33 | |
| Geranyl formate_3 | 132620.00 | 64320.00 | 144240.00 | 133166.67 | 146600.00 | |
| Glutathione | 27080.00 | 30454.00 | 14383.33 | 48138.00 | 74575.00 | |
| Glycerol | 4298400.00 | 4063200.00 | 10763540.00 | 14942166.67 | 16068266.67 | |
| Glycerone phosphate | 51940000.00 | 51820000.00 | 51600000.00 | 52016666.67 | 52200000.00 | |
| Glycidyl stearate | 273200.00 | 435600.00 | 217280.00 | 441000.00 | 251816.67 | |
| Glycine_1 | 291960.00 | 254360.00 | 514580.00 | 170383.33 | 129850.00 | |
| Glycine_2 | 25858.00 | 25766.00 | 27412.00 | 33715.00 | 29481.67 | |
| Glycocholate | 33502.50 | 15940.00 | 446803.33 | 13453.33 | 35280.00 | |
| Guanethidine | 375200.00 | 431200.00 | 393200.00 | 427333.33 | 370500.00 | |
| Heptadecatrienoic acid | 3370.00 | 3305.00 | - | 1442065.00 | - | |
| Hercynine | 5014000.00 | 4920000.00 | 4948000.00 | 4941666.67 | 4943333.33 | |
| Hexadecasphinganine | 418016.00 | 721720.00 | 736140.00 | 643900.00 | 862716.67 | |
| Hexanoic acid | 216900.00 | 185100.00 | 127100.00 | 150400.00 | 110766.67 | |
| Hexylamine | 11226000.00 | 12520000.00 | 11716000.00 | 11750000.00 | 10605000.00 | |
| Histamine | 829400.00 | 350942.00 | 1667400.00 | 396483.33 | 472766.67 | |
| (-)-Hygroline | 20503512.00 | 25426052.00 | 29203716.00 | 21355455.00 | 10785100.00 | |
| Hypoxanthine | 34020000.00 | 20106000.00 | 21478000.00 | 19483333.33 | 21928333.33 | |
| Indicaxanthin | 5530.00 | 38300.00 | 383850.00 | 12370.00 | - | |
| Isofenphos | 81740.00 | 117162.00 | 196792.00 | 69623.33 | 40436.67 | |
| Isopropalin | 19472.00 | 31080.00 | 531100.00 | 63955.00 | 4040.00 | |
| Isoquinoline | 1140000.00 | 1005800.00 | 752200.00 | 1116666.67 | 1122500.00 | |
| Isovalerylcarnitine_1 | 15812.00 | 111740.00 | 32030.00 | 82588.33 | 10385.00 | |
| Isovalerylcarnitine_2 | 237060.00 | 365800.00 | 237480.00 | 241500.00 | 299666.67 | |
| L-Alanine | 1346000.00 | 775800.00 | 1849400.00 | 883333.33 | 961166.67 | |
| L-Arginine | 5408000.00 | 2676000.00 | 4770000.00 | 2773000.00 | 3110000.00 | |
| L-Asparagine | 96860.00 | 57536.00 | 163372.00 | 288000.00 | 127121.67 | |
| L-Aspartate | 380600.00 | 135000.00 | 212800.00 | 159516.67 | 132766.67 | |
| Latia luciferin_1 | 249200.00 | 257000.00 | 407340.00 | 206150.00 | 155350.00 | |
| Latia luciferin_2 | 157380.00 | 181860.00 | 273800.00 | 125900.00 | 188000.00 | |
| Latia luciferin_3 | 180920.00 | 131440.00 | 162540.00 | 143316.67 | 141850.00 | |
| Latia luciferin_4 | 84280.00 | 102060.00 | 54800.00 | 59383.33 | 100883.33 | |
| L-Carnitine | 12022000.00 | 13558000.00 | 16690000.00 | 20433333.33 | 11270000.00 | |
| L-Citrulline | 1724400.00 | 1017800.00 | 2652800.00 | 919666.67 | 1078833.33 | |
| L-Cysteate | 721000.00 | 412200.00 | 641200.00 | 481833.33 | 527166.67 | |
| Leukotriene A4 | 31450.00 | 6260.00 | 5710.00 | 5568176.00 | 17266.67 | |
| L-Glutamate | 12796000.00 | 6296000.00 | 11338000.00 | 6511666.67 | 6181666.67 | |
| L-Glutamine | 9638000.00 | 9586000.00 | 12236000.00 | 7020000.00 | 6803333.33 | |
| L-Histidine | 635600.00 | 319400.00 | 804800.00 | 529833.33 | 586333.33 | |
| Lichenin | 990800.00 | 145120.00 | 628000.00 | 189716.67 | 532516.67 | |
| Lidocaine | 1013780.00 | 1397580.00 | 3927560.00 | 2186500.00 | 931261.67 | |
| (-)-Limonene_1 | 972000.00 | 920200.00 | 998400.00 | 970666.67 | 951666.67 | |
| (-)-Limonene_2 | 752400.00 | 392200.00 | 455000.00 | 471833.33 | 467500.00 | |
| L-Kynurenine | 251440.00 | 124220.00 | 408960.00 | 142013.33 | 161433.33 | |
| L-Leucine_1 | 55040000.00 | 29412000.00 | 66000000.00 | 31033333.33 | 33900000.00 | |
| L-Leucine_2 | 26500000.00 | 13708000.00 | 30970000.00 | 14986666.67 | 16590000.00 | |
| L-Leucine_3 | 479000.00 | 429800.00 | 332000.00 | 446666.67 | 409000.00 | |
| L-Lysine | 252320.00 | 61098.00 | 203020.00 | 115333.33 | 130450.00 | |
| L-Metanephrine | 310400.00 | 326600.00 | 314800.00 | 245333.33 | 219166.67 | |
| L-Methionine | 591800.00 | 214020.00 | 1199580.00 | 340911.67 | 397983.33 | |
| L-Methionine S-oxide_1 | 1296600.00 | 639540.00 | 1534600.00 | 735966.67 | 958833.33 | |
| L-Methionine S-oxide_2 | 497200.00 | 406900.00 | 731660.00 | 382166.67 | 410166.67 | |
| L-Octanoylcarnitine_1 | 474940.00 | 148460.00 | 313740.00 | 335833.33 | 324300.00 | |
| L-Octanoylcarnitine_2 | 134540.00 | 274620.00 | 238040.00 | 255500.00 | 446366.67 | |
| L-Phenylalanine | 13048000.00 | 5960000.00 | 15394000.00 | 7911666.67 | 10735000.00 | |
| L-Proline | 21740000.00 | 13696000.00 | 31716000.00 | 12281666.67 | 14490000.00 | |
| L-Rhamnose | 3482000.00 | 3912000.00 | 8376000.00 | 4077500.00 | 4591666.67 | |
| L-Threonine | 820000.00 | 520000.00 | 1339800.00 | 559666.67 | 822833.33 | |
| L-Tryptophan | 3986000.00 | 2579400.00 | 5662800.00 | 2247000.00 | 2675000.00 | |
| L-Tryptophanamide_1 | 29296.00 | 24902.00 | 31926.00 | 24485.00 | 22533.33 | |
| L-Tryptophanamide_2 | 22686.00 | 29946.00 | 21642.00 | 28878.33 | 40533.33 | |
| L-Tyrosine | 6660000.00 | 3036000.00 | 8282000.00 | 4115000.00 | 5731666.67 | |
| Luciduline | 5580000.00 | 6696000.00 | 6982000.00 | 5421666.67 | 7465000.00 | |
| L-Valine_1 | 268480000.00 | 117220000.00 | 93700000.00 | 182366666.67 | 42066666.67 | |
| L-Valine_2 | 52060000.00 | 39120000.00 | 69280000.00 | 47766666.67 | 34883333.33 | |
| Magnesium dipropionate | 184720.00 | 144300.00 | 215840.00 | 47666.67 | 1271663.33 | |
| Mandelonitrile | 700558.00 | 11110.00 | 160068.00 | 13648.33 | 8510.00 | |
| Mannitol | 13782000.00 | 14914000.00 | 30618000.00 | 15815000.00 | 17635000.00 | |
| (-)-Menthone | 10168000.00 | 10024000.00 | 9922000.00 | 10145000.00 | 10358333.33 | |
| (-)-Menthyl acetate_1 | 8048000.00 | 7880000.00 | 8414000.00 | 8590000.00 | 8333333.33 | |
| (-)-Menthyl acetate_2 | 7208000.00 | 7340000.00 | 7420000.00 | 7540000.00 | 7160000.00 | |
| Mephentermine_1 | 525000.00 | 742400.00 | 1029200.00 | 1394233.33 | 1316166.67 | |
| Mephentermine_2 | 1777600.00 | 1172800.00 | 2145800.00 | 1321250.00 | 1906666.67 | |
| Methamphetamine_1 | 3982000.00 | 4028000.00 | 4004000.00 | 3733333.33 | 4038333.33 | |
| Methamphetamine_2 | 1934000.00 | 2106000.00 | 1878000.00 | 2110000.00 | 1886666.67 | |
| Methyl 2-diazoacetamidohexonate | 1474000.00 | 1490000.00 | 1512000.00 | 1536666.67 | 1485000.00 | |
| Methyleugenol | 953600.00 | 818000.00 | 864000.00 | 842666.67 | 753500.00 | |
| Methyl farnesoate | 518000.00 | 384000.00 | 490400.00 | 549833.33 | 519000.00 | |
| Mexiletine | 719200.00 | 866200.00 | 785600.00 | 900000.00 | 677000.00 | |
| ML-236C | 548800.00 | 493600.00 | 538200.00 | 574500.00 | 575500.00 | |
| Montanin A | 688000.00 | 649000.00 | 794400.00 | 751666.67 | 685333.33 | |
| N1-Methyl-2-pyridone-5-carboxamide | 1108200.00 | 809000.00 | 793400.00 | 1112000.00 | 680500.00 | |
| N6-Methyl-L-lysine | 443200.00 | 108160.00 | 335840.00 | 144966.67 | 187266.67 | |
| N-Acetyl-L-2-amino-6-oxopimelate | 1724400.00 | 1524400.00 | 2056400.00 | 1554666.67 | 2389500.00 | |
| N-Acetyl-L-glutamate 5-semialdehyde | 222800.00 | 364220.00 | 1156200.00 | 363750.00 | 276450.00 | |
| N-Acetylornithine | 325800.00 | 115920.00 | 465200.00 | 164100.00 | 193050.00 | |
| N-(Acetyloxy)benzenamine | 274700.00 | 341760.00 | 1432580.00 | 482866.67 | 494866.67 | |
| Nandrolone | - | 3330.00 | 3210.00 | 1080000.00 | - | |
| Naphthalene-1,2-diol | 87180.00 | 71240.00 | 118300.00 | 66483.33 | 80150.00 | |
| N-Cyclohexylformamide | 1947000.00 | 343176.00 | 814200.00 | 420116.67 | 783666.67 | |
| N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine | 113140.00 | 115420.00 | 73920.00 | 79700.00 | 60816.67 | |
| N-Heptanoylhomoserine lactone | 814800.00 | 642000.00 | 762380.00 | 788966.67 | 1071000.00 | |
| Nicotinamide_1 | 13686000.00 | 7366000.00 | 9188000.00 | 6666666.67 | 7880000.00 | |
| Nicotinamide_2 | 5792800.00 | 2144000.00 | 3064400.00 | 1550166.67 | 1506166.67 | |
| Nitramine | 699200.00 | 521600.00 | 1424000.00 | 601000.00 | 831000.00 | |
| N-Methylaniline | 939600.00 | 1324600.00 | 1159400.00 | 1059833.33 | 691916.67 | |
| N-Methyl-N,4-dinitrosoaniline | 57860.00 | 44260.00 | 271380.00 | 53950.00 | 45033.33 | |
| N-Methylpelletierine | 7604000.00 | 7992000.00 | 8078000.00 | 8178333.33 | 7000000.00 | |
| N,N-Dihydroxy-L-tyrosine | 1327200.00 | 968462.00 | 6250280.00 | 1316935.00 | 1311666.67 | |
| Nona-2,6-dienal | 917600.00 | 976800.00 | 972400.00 | 636166.67 | 545650.00 | |
| Nonane-4,6-dione | 1309800.00 | 1036600.00 | 1240600.00 | 1021666.67 | 980333.33 | |
| Nonanoic acid | 130040.00 | 165500.00 | 162060.00 | 200333.33 | 163116.67 | |
| (+)-Norephedrine_1 | 9998.00 | 14142.00 | 10796.00 | 12308.33 | 5840.00 | |
| (+)-Norephedrine_2 | 262320.00 | 296600.00 | 407200.00 | 412833.33 | 262833.33 | |
| N-Phenyl-1-naphthylamine_1 | 168920.00 | 168000.00 | 218600.00 | 179666.67 | 182666.67 | |
| N-Phenyl-1-naphthylamine_2 | 29860.00 | 25120.00 | 48560.00 | 19520.00 | 22703.33 | |
| N-Phenyl-1-naphthylamine_3 | 29320.00 | 30874.00 | 37040.00 | 46200.00 | 29783.33 | |
| N-Trimethyl-2-aminoethylphosphonate_1 | 96280.00 | 122480.00 | 182560.00 | 167516.67 | 160666.67 | |
| N-Trimethyl-2-aminoethylphosphonate_2 | 62300.00 | 80060.00 | 79140.00 | 62050.00 | 77883.33 | |
| Oblongolide_1 | 337800.00 | 283120.00 | 210120.00 | 278183.33 | 289666.67 | |
| Oblongolide_2 | 387800.00 | 385800.00 | 459400.00 | 370833.33 | 381000.00 | |
| O-Butanoylcarnitine | 1467200.00 | 3128000.00 | 2480000.00 | 3171883.33 | 884500.00 | |
| Octadecanamide | 2928000.00 | 1994600.00 | 2566400.00 | 1453000.00 | 1615000.00 | |
| Octanoic acid_1 | 740800.00 | 829200.00 | 664000.00 | 699666.67 | 718000.00 | |
| Octanoic acid_2 | 435400.00 | 465600.00 | 494200.00 | 513166.67 | 545666.67 | |
| Octylamine | 30200000.00 | 34200000.00 | 31060000.00 | 34466666.67 | 29066666.67 | |
| O-Decanoyl-L-carnitine_1 | 209600.00 | 743800.00 | 528200.00 | 423433.33 | 163533.33 | |
| O-Decanoyl-L-carnitine_2 | 158880.00 | 189400.00 | 261200.00 | 256500.00 | 209500.00 | |
| O-Propanoylcarnitine | 714000.00 | 766400.00 | 720560.00 | 726316.67 | 456333.33 | |
| Orthophosphate | 46460000.00 | 52020000.00 | 45500000.00 | 60566666.67 | 49816666.67 | |
| O-Succinyl-L-homoserine | 44980.00 | 25646.00 | 131924.00 | 22453.33 | 33450.00 | |
| Otonecine_1 | 231800.00 | 442600.00 | 356060.00 | 306783.33 | 97250.00 | |
| Otonecine_2 | 119360.00 | 212626.00 | 240220.00 | 219505.00 | 49816.67 | |
| Otonecine_3 | 136020.00 | 100880.00 | 189874.00 | 28115.00 | 640216.67 | |
| Otonecine_4 | 87040.00 | 110760.00 | 61040.00 | 82966.67 | 77983.33 | |
| Oxandrolone | 231800.00 | 34152.00 | 110710.00 | 41596.67 | 29355.00 | |
| Oxidized Latia luciferin | 1295600.00 | 1244400.00 | 1326000.00 | 1361666.67 | 1313333.33 | |
| p-Aminobenzamidine dihydrochloride | 153400000.00 | 152200000.00 | 155400000.00 | 154666666.67 | 152500000.00 | |
| p-Cymene_1 | 153360.00 | 112340.00 | 182580.00 | 210416.67 | 155316.67 | |
| p-Cymene_2 | 90400.00 | 86880.00 | 126000.00 | 80283.33 | 101366.67 | |
| p-Cymene_3 | 129880.00 | 108260.00 | 108180.00 | 77133.33 | 103666.67 | |
| p-Cymene_4 | 35480.00 | 14234.00 | 20710.00 | 28050.00 | 50800.00 | |
| Pentachloroethane | 3528000.00 | 3128000.00 | 2988000.00 | 2890000.00 | 3191666.67 | |
| Pentalenene | 1751200.00 | 1733800.00 | 2144000.00 | 2036666.67 | 1638833.33 | |
| Phenacetin | 501600.00 | 420000.00 | 360000.00 | 366166.67 | 426666.67 | |
| Phendimetrazine_1 | 1122000.00 | 1132000.00 | 1162000.00 | 1145000.00 | 1086666.67 | |
| Phendimetrazine_2 | 2588000.00 | 2860000.00 | 2752000.00 | 2755000.00 | 2765000.00 | |
| Phenmetrazine | 3524000.00 | 3626000.00 | 3660000.00 | 3735000.00 | 3703333.33 | |
| Phenylacetaldehyde_1 | 192900.00 | 486600.00 | 388060.00 | 194333.33 | 145383.33 | |
| Phenylacetaldehyde_2 | 29336.00 | 41030.00 | 44918.00 | 20996.67 | 25706.67 | |
| Phenyl acetate | 289800.00 | 192800.00 | 241400.00 | 192133.33 | 329500.00 | |
| Phenylacetylglutamine | 37040.00 | 72720.00 | 69800.00 | 105083.33 | 52616.67 | |
| Phenylethyl alcohol_1 | 1132600.00 | 1005800.00 | 1217000.00 | 1141333.33 | 1168833.33 | |
| Phenylethyl alcohol_2 | 218600.00 | 252800.00 | 171840.00 | 125150.00 | 202166.67 | |
| Phenylethylmalonamide_1 | 43560.00 | 114596.00 | 1451952.00 | 181883.33 | 117370.00 | |
| Phenylethylmalonamide_2 | 22898.00 | 28502.00 | 200876.00 | 22796.00 | 25271.67 | |
| Phenylpyruvate | 649200.00 | 237140.00 | 776800.00 | 377833.33 | 557500.00 | |
| Phthalate | 21750.00 | 18696.00 | 226442.00 | 16438.33 | 18316.67 | |
| Phytuberin | 2232000.00 | 2338000.00 | 2274000.00 | 2325000.00 | 2333333.33 | |
| Piperidine_1 | 3420000.00 | 1804600.00 | 4173800.00 | 1910333.33 | 2086666.67 | |
| Piperidine_2 | 2488000.00 | 1605800.00 | 2535000.00 | 1206500.00 | 1655000.00 | |
| Piperidine_3 | 3608420.00 | 1988940.00 | 311980.00 | 249716.67 | 505118.33 | |
| Piperidine_4 | 1638780.00 | 1269480.00 | 343980.00 | 175050.00 | 566266.67 | |
| Piperidine_5 | 119300.00 | 75760.00 | 36000.00 | 46600.00 | 154400.00 | |
| Piperidione_1 | 111440.00 | 112020.00 | 60020.00 | 75283.33 | 89266.67 | |
| Piperidione_2 | 427400.00 | 312800.00 | 294600.00 | 335666.67 | 301166.67 | |
| Pirbuterol_1 | 266800.00 | 448440.00 | 809960.00 | 245916.67 | 301700.00 | |
| Pirbuterol_2 | 64860.00 | 28800.00 | 32200.00 | 60433.33 | 49366.67 | |
| Portulacaxanthin I | 17304.00 | 156000.00 | 389381.00 | 26633.33 | 5278.00 | |
| Precocene II_1 | 1682000.00 | 1706000.00 | 1698000.00 | 1666666.67 | 1725000.00 | |
| Precocene II_2 | 838600.00 | 592800.00 | 659600.00 | 668666.67 | 609000.00 | |
| Propanoate | 1448352.00 | 1439600.00 | 4150640.00 | 5776000.00 | 5979958.33 | |
| Prostaglandin B1 | 44702.00 | 20037.50 | 19436.00 | 8466206.00 | 58586.00 | |
| Pseudopelletierine | 1556600.00 | 392000.00 | 628400.00 | 755000.00 | 513166.67 | |
| Putrescine | 1121000.00 | 1126600.00 | 1252800.00 | 1030166.67 | 821333.33 | |
| p-Xylene | 145900.00 | 200600.00 | 128800.00 | 158883.33 | 273833.33 | |
| Pyridoxal_1 | 1093200.00 | 1066200.00 | 1070200.00 | 1140000.00 | 979666.67 | |
| Pyridoxal_2 | 212440.00 | 750060.00 | 289840.00 | 115433.33 | 814433.33 | |
| Pyridoxamine_1 | 67278.00 | 46760.00 | 24380.00 | 35400.00 | 32283.33 | |
| Pyridoxamine_2 | 412920.00 | 86420.00 | 158784.00 | 70618.33 | 103900.00 | |
| Pyridoxine_1 | 2116000.00 | 2107640.00 | 9264800.00 | 2562300.00 | 2961333.33 | |
| Pyridoxine_2 | 600200.00 | 764400.00 | 745400.00 | 699000.00 | 603500.00 | |
| Quercetin | - | 5130.00 | 570000.00 | - | 2890.00 | |
| Retinoate | 13745.00 | 5790.00 | 3460.00 | 6501550.00 | 7405.00 | |
| Rhodanine | 2568800.00 | 1964200.00 | 1516800.00 | 2788333.33 | 2409833.33 | |
| S 1033 | 410300.00 | 288600.00 | 252180.00 | 204650.00 | 116633.33 | |
| (S)-2-Hydroxypropylphosphonate | 268030.00 | 27958.80 | 136618.00 | 219355.00 | 84150.00 | |
| S-Acetyldihydrolipoamide | 66760.00 | 16545.00 | 437894.00 | 26235.00 | 23685.00 | |
| S-Allyl-L-cysteine | 3978294.00 | 4506000.00 | 4503300.00 | 2314516.67 | 4273333.33 | |
| Sinapyl alcohol | 600800.00 | 539400.00 | 596000.00 | 620333.33 | 614166.67 | |
| Sodium chlorate | 3938000.00 | 3988000.00 | 4406000.00 | 4028333.33 | 4045000.00 | |
| (-)-Solenopsin A | 125000.00 | 298202.00 | 116460.00 | 95913.33 | 104596.67 | |
| Spermidine | 215318.00 | 436380.00 | 311760.00 | 377430.00 | 316050.00 | |
| Succinic anhydride | 1232600.00 | 459600.00 | 798800.00 | 571833.33 | 628166.67 | |
| Succinylproline | 249200000.00 | 200680000.00 | 682780000.00 | 231066666.67 | 280833333.33 | |
| Sulcatone | 12680000.00 | 11980000.00 | 12220000.00 | 11900000.00 | 12133333.33 | |
| Taurine | 840600.00 | 763200.00 | 1331000.00 | 528166.67 | 726500.00 | |
| Tecostanine | 127600.00 | 193800.00 | 188200.00 | 184166.67 | 160833.33 | |
| Tetralin | 240020.00 | 307800.00 | 221440.00 | 297000.00 | 335166.67 | |
| Thiodiacetic acid | 9242000.00 | 11034000.00 | 10946000.00 | 9661666.67 | 9643333.33 | |
| Thiomorpholine 3-carboxylate | 636600.00 | 219960.00 | 1968580.00 | 363270.00 | 491000.00 | |
| Thymyl acetate_1 | 128720.00 | 249000.00 | 182340.00 | 91333.33 | 118916.67 | |
| Thymyl acetate_2 | 215900.00 | 139980.00 | 126300.00 | 85366.67 | 55400.00 | |
| Toluene-cis-dihydrodiol | 546200.00 | 697600.00 | 680600.00 | 1636500.00 | 967166.67 | |
| Tos-Lys-CH2Cl | 19520000.00 | 19740000.00 | 19220000.00 | 19266666.67 | 19383333.33 | |
| trans-Cinnamate_1 | 979600.00 | 959800.00 | 971600.00 | 954666.67 | 959166.67 | |
| trans-Cinnamate_2 | 304180.00 | 350600.00 | 301800.00 | 253416.67 | 243766.67 | |
| Tributyl phosphate | 1036800.00 | 1092000.00 | 1063800.00 | 1100500.00 | 1088166.67 | |
| Triethanolamine | 2960600.00 | 945600.00 | 3614400.00 | 1086500.00 | 1177333.33 | |
| Trimethylamine N-oxide | 2181400.00 | 1174200.00 | 2225600.00 | 664000.00 | 2775666.67 | |
| Tris(butoxyethyl)phosphate_1 | 1082800.00 | 962000.00 | 1105200.00 | 1030333.33 | 1103166.67 | |
| Tris(butoxyethyl)phosphate_2 | 27390.00 | 35680.00 | 82826.00 | 25445.00 | 21910.00 | |
| Tris(butoxyethyl)phosphate_3 | 63840.00 | 40860.00 | 51260.00 | 178583.33 | 51783.33 | |
| Tromethamine | 3536.67 | 2732.50 | 34960.00 | 8787176.67 | 4748.00 | |
| Tropine_1 | 692800.00 | 575000.00 | 450600.00 | 558333.33 | 412500.00 | |
| Tropine_2 | 1282000.00 | 1219000.00 | 1254000.00 | 1278333.33 | 1156666.67 | |
| Tropinone_1 | 2246000.00 | 2360000.00 | 2454000.00 | 2495000.00 | 2610000.00 | |
| Tropinone_2 | 29494.00 | 24800.00 | 36260.00 | 50533.33 | 24233.33 | |
| Tropinone_3 | 31720.00 | 22420.00 | 45680.00 | 39783.33 | 21041.67 | |
| Tropinone_4 | 25066.00 | 31000.00 | 67040.00 | 32483.33 | 29218.33 | |
| Tropinone_5 | 59780.00 | 29000.00 | 23740.00 | 32716.67 | 22673.33 | |
| Tropinone_6 | 56180.00 | 25680.00 | 34880.00 | 35816.67 | 24895.00 | |
| Trp-P-1 | 822400.00 | 731000.00 | 680200.00 | 803166.67 | 759500.00 | |
| Tussilagine | 92340.00 | 48760.00 | 25260.00 | 61700.00 | 92100.00 | |
| Tyramine | 5072000.00 | 5254000.00 | 5268000.00 | 5448333.33 | 4971666.67 | |
| Tyr-OEt | 3268000.00 | 3284000.00 | 3114000.00 | 3340000.00 | 3256666.67 | |
| Undecanoic acid_1 | 2197200.00 | 2304000.00 | 2590000.00 | 2741666.67 | 2681666.67 | |
| Undecanoic acid_2 | 209460.00 | 336600.00 | 279400.00 | 343000.00 | 426166.67 | |
| Uracil_1 | 2708000.00 | 1787000.00 | 2114000.00 | 1476666.67 | 2040000.00 | |
| Uracil_2 | 2090000.00 | 348020.00 | 1137080.00 | 485316.67 | 407966.67 | |
| Urate | 2555200.00 | 1238200.00 | 3040000.00 | 941166.67 | 1907166.67 | |
| Uridine | 727600.00 | 436220.00 | 566200.00 | 357610.00 | 532666.67 | |
| Urocanate_1 | 910600.00 | 974200.00 | 369280.00 | 1050166.67 | 1022633.33 | |
| Urocanate_2 | 638600.00 | 473800.00 | 203700.00 | 680583.33 | 318633.33 | |
| Vermelone_1 | 958600.00 | 969000.00 | 1016600.00 | 991833.33 | 1002333.33 | |
| Vermelone_2 | 3566.00 | 4910.00 | 151892.00 | 3296.67 | 4105.00 | |
| Xanthan | 3362000.00 | 3428000.00 | 3430000.00 | 3330000.00 | 3348333.33 | |
| Xanthine | 10910000.00 | 4542000.00 | 6148000.00 | 3773333.33 | 4885000.00 | |
| Zingerone | 27320000.00 | 27840000.00 | 27160000.00 | 27033333.33 | 26066666.67 | |
| Zoxazolamine | 2720000.00 | 2160000.00 | 2348000.00 | 1187666.67 | 2140000.00 |
Factors:
| F1 | Main factor (1 to 5):- |
| F2 | Main factor (1 to 5):1 |
| F3 | Main factor (1 to 5):2 |
| F4 | Main factor (1 to 5):3 |
| F5 | Main factor (1 to 5):5 |
