Data for ST002792
| Metabolite structure | All data | F1 | F2 |
|---|---|---|---|
| (1,3-diphenylpropoxy)sulfonic acid | 1095251.00 | 1074793.50 | |
| 1,4-beta-D-Glucan | 8879279.44 | 7345072.50 | |
| 1,6-Digalloyl-beta-D-glucopyranose | 399247.50 | 262537.00 | |
| 19-hydroxy-1,1,1-trifluoro-10(Z)-nonadecen-2-one | 2306686.11 | 2236267.75 | |
| 1-Deoxynojirimycin | 96682.22 | 93983.50 | |
| 1-deoxyxylonojirimycin | 71181.22 | 64650.00 | |
| 1-dimethylarsinoyl-octadecane | 690281.56 | 565630.25 | |
| 1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol | 306152.89 | 330822.50 | |
| 1H-Indole-3-acetamide | 506739.33 | 437063.25 | |
| 1-Methylhistidine | 954194.44 | 536085.67 | |
| 1-(Methylthio)-5-phenyl-1-penten-3-yne | 103028.67 | 76667.75 | |
| 1-O-malyl-beta-D-glucose | 430245.62 | 252775.00 | |
| 1-Stearoylglycerophosphoserine | 584214.78 | 339012.00 | |
| 2-(4-Methyl-5-thiazolyl)ethyl butanoate | 74278.11 | 137125.00 | |
| 2,4-pentadienoic acid | 120037.67 | 126752.00 | |
| 2-(4-sulfophenyl)butyrate | 52067.00 | 61081.25 | |
| 2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-a... | 48669.00 | 27390.50 | |
| 2-Amino-2-deoxy-D-gluconate | 107355.78 | 59481.00 | |
| 2-amino-2-deoxy-D-gluconate 6-phosphate | 81918.00 | 81822.25 | |
| 2-amino-2-deoxyglucitol-6-phosphate | 381481.11 | 395977.00 | |
| 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1... | 88068.22 | 57499.00 | |
| 2-Aminoacrylic acid | 474046.33 | 426016.50 | |
| 2-Aminoheptanoate | 7600148.67 | 8415444.50 | |
| 2-Aminonaphthalene | 224669.11 | 242201.00 | |
| 2^-Deoxy-5-hydroxymethylcytidine-5^-triphosphate | 216305.78 | 289150.75 | |
| 2-Hydroxy-6-ketononatrienedioate | 93425.33 | 137829.25 | |
| 2-Hydroxyacetaminophen sulfate | 324911.67 | 259580.50 | |
| 2-Methylbutyroylcarnitine | 289579.00 | 281803.50 | |
| 2-O-methyl cyclic 3-deoxy-D-arabino-heptulosonate 7-phosphat... | 619987.00 | 383528.75 | |
| 2-Oxoarginine | 242177.11 | 267963.75 | |
| 2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole | 23859.40 | 51954.00 | |
| (2R,3S)-Piscidic acid | 2119000.00 | 1872471.25 | |
| 2-thiouridine | 1019042.78 | 1198251.00 | |
| 3,3^,7-Trihydroxy-4^-methoxyflavone | 85171.33 | 84402.00 | |
| 3,4,5-trihydroxy-6-({4-hydroxy-2-methyl-6-[(3,4,5,6-tetrahyd... | 104562.78 | 65051.00 | |
| {[3,4,5-trihydroxy-6-(5-hydroxy-7-methoxy-4-oxo-2-phenyl-4H-... | 453174.33 | 274204.50 | |
| 3,5-dibromocatechol | 334980.56 | 318481.00 | |
| 3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxypropanal | 153302.12 | 24229.00 | |
| 3alpha,7alpha,12alpha-trihydroxy-27-carboxymethyl-5beta-chol... | 654323.11 | 750535.50 | |
| 3-Amino-2-piperidone | 66736.56 | 57073.25 | |
| 3-Amino-6H-dibenzo[b,d]pyran-6-one | 337810.22 | 229088.25 | |
| 3-Butynoate | 69696.56 | 52630.75 | |
| 3-deoxy-D-galactose | 215096.33 | 119566.00 | |
| 3-Deoxyvitamin D3 | 100394.44 | 99900.50 | |
| 3-(Dimethylamino)propyl benzoate | 143953.33 | 42792.00 | |
| 3-Hydroxyanthranilic acid | 73277.57 | 27242.67 | |
| 3-Oxo-carbofuran | 39174.60 | 47666.00 | |
| 4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-... | 496367.22 | 479433.50 | |
| 4-amino-4-deoxy-L-arabinose | 84359.44 | 72265.75 | |
| 4-coumaroyl-3-hydroxyagmatine | 57010.12 | 23801.00 | |
| 4-Guanidinobutanoic acid | 198865.56 | 223801.75 | |
| 4-Heptyloxyphenol | 80454.00 | 84705.25 | |
| 4-Imidazolone-5-propionic acid | 80421.67 | 83466.67 | |
| 4-Methoxyglucobrassicin | 178599.44 | 192046.75 | |
| 4-Oxoproline | 9613820.22 | 9127756.50 | |
| 4-(Trimethylammonio)but-2-enoate | 17626192.56 | 11485958.25 | |
| 5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein | 93771.56 | 74126.25 | |
| 5-Acetamidovalerate | 5710644.67 | 3222579.75 | |
| 5-Aminolevulinic acid | 51514192.44 | 47667747.00 | |
| 5-caC | 370117.17 | 113768.50 | |
| 5-Hydroxy-L-tryptophan | 627183.33 | 735968.75 | |
| 5-isobutylthioribose | 241559.67 | 200364.00 | |
| 5^-Methylthioadenosine | 5110584.33 | 4291753.75 | |
| 6-{4-[-3-[(3-carboxy-5,6-dihydroxycyclohex-3-en-1-yl)oxy]-3-... | 305302.89 | 150102.00 | |
| 6-diazo-5-oxonorleucine | 134504.67 | 193020.25 | |
| 6-Hydroxyl-1,6-dihydropurine ribonucleoside | 226304.78 | 247891.75 | |
| 6-Hydroxy-R-acenocoumarol | 117576.33 | 100220.75 | |
| 7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone | 138619.00 | 116235.75 | |
| 7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-5-[1-alpha... | 193123.89 | 204034.50 | |
| 7-chloro-2-(3,4-dimethoxyphenyl)-8-hydroxy-3,5,6-trimethoxy-... | 111376.33 | 88295.00 | |
| 8-(3,3-Dimethylallyl)spatheliachromene | 168248.33 | 207418.75 | |
| 8-Amino-7-oxononanoate | 4266204.78 | 6154062.25 | |
| 8-methylthiooctylhydroximoyl-L-cysteine | 618914.44 | 660210.00 | |
| (9xi,10xi,12xi)-9,10-Dihydroxy-12-octadecenoic acid | 596041.22 | 302519.75 | |
| Acetylcarnitine | 58167.00 | 49074.00 | |
| Adenine | 846881.78 | 889400.25 | |
| Adenosine monophosphate | 7143279.11 | 4320750.50 | |
| aeruginosin A | 245603.33 | 176248.75 | |
| Aklanonic acid methyl ester | 186300.78 | 134916.75 | |
| Ala/Ala/Ala | - | - | |
| Ala/Ala/Ala/Pro | - | - | |
| Ala/Ala/Ala/Ser | 878335.78 | 1037246.00 | |
| Ala/Ala/Ser | 33538.67 | 144847.75 | |
| Ala/Arg | - | 83721.50 | |
| Ala/Asn | - | 51398.50 | |
| Ala/Asn/Asp | 86330.56 | 98958.25 | |
| Ala/Asn/Pro | 25994.00 | 21865.67 | |
| Ala/Asn/Pro/Pro | - | 207660.00 | |
| Ala/Asp/Asp/Asn/Pro | 186489.33 | 178136.50 | |
| Ala/Asp/Cys/Tyr | 63477.67 | 62469.75 | |
| Ala/Asp/Pro | 113119.11 | 151345.00 | |
| Ala/Asp/Ser | 328229.78 | 327987.00 | |
| Ala/Cys/Cys/Asn/Thr | 66972.11 | 65902.25 | |
| Ala/Cys/Cys/Cys/Asn | 64705.56 | 69081.50 | |
| Ala/Glu/Asn/Ile | - | 108131.75 | |
| Ala/Glu/Glu/His | 334329.22 | 423853.25 | |
| Ala/Gly/Pro | 48408.25 | 78476.50 | |
| Ala/Gly/Tyr | - | 69999.50 | |
| Ala/His | 71338.67 | 674083.75 | |
| Ala/Ile/Arg/Ile | 1130983.78 | 1083653.50 | |
| Ala/Ile/Pro/Pro/Ser | 653473.56 | 575731.50 | |
| Ala/Leu/Ala/Ala | - | - | |
| Ala/Leu/Gly/Arg | 136930.22 | 172034.75 | |
| Ala/Leu/Gly/Tyr | - | 107422.75 | |
| Ala/Lys | - | 127987.75 | |
| Ala/Lys/Ala/Ala | 205367.86 | 1054956.75 | |
| Ala/Lys/Asp/Pro | 135818.83 | 179816.50 | |
| Ala/Lys/Lys/Asp | 384472.00 | 595229.25 | |
| Ala/Lys/Thr/Arg | 103132.43 | 102470.00 | |
| Ala/Met/Cys/Cys | 52087.25 | - | |
| Ala/Met/Trp/Asp | 74665.22 | 76658.75 | |
| Alanine | 7363744.89 | 6489151.00 | |
| alanyl-L-alpha-thiophenylglycine | 958262.44 | 877623.50 | |
| Ala/Phe/Thr/Pro | 68149.78 | 36460.50 | |
| Ala/Pro | 1120014.33 | 3611568.00 | |
| Ala/Pro/Ser/Ser | 94340.56 | 134990.75 | |
| Ala/Ser/Ser | 84416.44 | 75527.67 | |
| Ala/Thr/Ala/Asp | 169576.88 | 310627.00 | |
| Ala/Thr/Ala/Ser | 69038.56 | 74114.75 | |
| Ala/Val/Asp/Ser | 21515.00 | 123575.25 | |
| Ala/Val/Gly/Pro | 16408.00 | 53591.75 | |
| Allysine | 2207270.11 | 74462.25 | |
| Aloesin | 277607.11 | 222859.25 | |
| alpha-D-desosamine | 916899.00 | 1106151.75 | |
| Amidosulfuron | 138693.22 | 105532.50 | |
| Aminoadipic acid | 2150372.44 | 727318.00 | |
| Aminohydroquinone | 209225.78 | 161925.00 | |
| Anthemis glycoside B | 501428.33 | 417831.25 | |
| Apetalolide | 344328.62 | 132625.67 | |
| Arg/Phe/Cys/Gly | 105880.00 | 128829.00 | |
| Arg/Tyr | 151633.38 | 825202.50 | |
| Arsenobetaine | 93528.00 | 93756.50 | |
| Asn/Arg | 12922.00 | 99803.00 | |
| Asn/Asn | 15311.00 | 69826.00 | |
| Asn/Asp | 214978.33 | 213801.50 | |
| Asn/His | 37836.67 | 139497.00 | |
| Asn/Leu/Lys/Asp | 49019.00 | 67596.25 | |
| Asn/Leu/Pro/Pro | 271540.89 | 338885.75 | |
| Asn/Lys/Gly/Gly | 67629.78 | 75655.50 | |
| Asn/Lys/Met/Thr | - | 61076.67 | |
| Asn/Phe/Asn/Gly | 614350.44 | 610610.00 | |
| Asn/Pro | 407372.00 | 1417732.25 | |
| Asn/Thr/Cys/Ser | 188087.11 | 238889.75 | |
| Asparaginyl-Hydroxyproline | 91654.11 | 74080.50 | |
| Aspartylglycosamine | 565947.56 | 587183.50 | |
| Asp/Cys/Ser/Tyr | 73018.00 | 33880.75 | |
| Asp/Gly/Arg | 225597.44 | 224347.50 | |
| Asp/Gly/His | 249573.67 | 63389.00 | |
| Asp/His/His/Met/Trp | 114369.11 | 85454.50 | |
| Asp/Phe/Pro/His | - | 51569.75 | |
| Asp/Pro | 1904690.56 | 2949360.00 | |
| Asp/Pro/Ser | 40580.00 | 18592.00 | |
| Asp/Thr/Cys/Cys | 40936.44 | 27076.33 | |
| Avicularin | 180872.22 | 145579.50 | |
| bathophenanthroline sulfonate | 96654.67 | 118946.00 | |
| benzoyl-L-arginine | - | 366408.25 | |
| Biotin | 47185.33 | 40147.75 | |
| Biotin amide | 771857.11 | 771172.50 | |
| BPH-674 | 91836.44 | 94836.50 | |
| Brassicanal A | 75269.78 | 94552.00 | |
| Brusatol | 90458.57 | 133741.67 | |
| Butyrylcarnitine | 513006.67 | 682645.50 | |
| Caffeoylferuloylspermidine | - | 104994.50 | |
| Canadine | - | - | |
| Cancentrine | 359287.44 | 372825.50 | |
| Capryloylglycine | 80164.78 | 130183.75 | |
| Carnitine | 20329013.33 | 21582616.75 | |
| CDP-glucose | 99839.25 | 45295.50 | |
| CDP-ribitol | 72487.22 | 68022.50 | |
| Cer(d40:1) | 132474.80 | 113962.33 | |
| Cer(d40:2) | 392367.11 | 340044.25 | |
| Cer(d42:2) | 1859587.78 | 2389866.50 | |
| Cerulenin | 930603.00 | 1312456.25 | |
| Chlorambucil | 114559.67 | 99514.00 | |
| Chlordane | 67170.56 | 67887.50 | |
| Chlorosesamone | 97722.00 | 85078.00 | |
| Chorismate | 139543.11 | 203080.75 | |
| cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene | 1496766.33 | 1557807.25 | |
| cis-Resveratrol 3-sulfate | 158097.56 | 167814.00 | |
| Citrulline | 17793324.33 | 17673855.25 | |
| Coalpha-[alpha-(2-methyladenin-9-yl)]-Cobeta-adenosylcobamid... | 442613.00 | 339311.00 | |
| coelenterazine v | 101933.22 | 100160.25 | |
| Compound VII | 36953.11 | 45631.75 | |
| Creatine | 531786485.33 | 420102864.00 | |
| Creatinine | 2940524.78 | 2041615.00 | |
| CTAB | 147556.56 | 124242.25 | |
| cycloguanil | 123297.33 | 91705.75 | |
| Cys/Asp/Asp/Pro/Ser | 17443294.56 | 15219383.25 | |
| Cys/Cys/Asn/Gln/Thr | 119000.44 | 81954.00 | |
| Cys/Cys/Asn/Ser/Thr | 59125.78 | 65369.00 | |
| Cys/Cys/Asp/Asn/Pro | 156439.33 | 114765.75 | |
| Cys/Gly/Pro | 1993102.11 | 1912016.50 | |
| Cys/Gly/Ser/Tyr | 76016.33 | 77577.75 | |
| Cys/Gly/Trp/Trp/Trp | 4778990.22 | 4447910.75 | |
| Cys/Lys/Thr/Thr/Thr | - | 107187.50 | |
| Cysteineglutathione disulfide | 1066828.67 | 573908.25 | |
| cytidine 5^-{[hydroxy(2-hydroxyethyl)phosphonoyl]phosphate} | 185698.22 | 198975.00 | |
| Deoxycytidine | 58390.88 | 51455.33 | |
| Deoxyguanidinoproclavaminic acid | 166823.11 | 152407.00 | |
| DG(36:2) | 844164.67 | 855513.25 | |
| DG(44:4) | 67963.56 | 69285.50 | |
| Diaminopimelic acid | 2170818.67 | 1651835.00 | |
| dibenzothiophene-5-oxide | 375365.33 | 334087.00 | |
| Diethanolamine | 522124.22 | 471697.25 | |
| Diethyl tartrate | 72504.33 | 54081.25 | |
| Dihydrobiopterin | 13068372.67 | 10888492.50 | |
| Dihydrozeatin-O-glucoside | 305577.00 | 321611.00 | |
| Dimethylethanolamine | 73133.11 | 82774.25 | |
| dIMP | 1148641.78 | 793539.25 | |
| diuron | 283108.11 | 287353.00 | |
| DL-2-Aminooctanoic acid | 8308038.56 | 13403122.75 | |
| Dopa | 300165.78 | 401746.00 | |
| Ectoine | 328431.33 | 272545.25 | |
| Epinephrine | 44577.56 | 28061.25 | |
| erucamide | 1436077.78 | 2036586.75 | |
| erythro-D-galacto-octitol | 215026.44 | 218961.00 | |
| Erythro-imidazole-glycerol-phosphate | 121286.89 | 74362.75 | |
| Fagomine | 100260.67 | 172867.50 | |
| Ferulic acid 4-sulfate | 154775.25 | 107662.33 | |
| Galipine | - | - | |
| Gallagic acid | 147164.00 | 168840.25 | |
| gamma-Aminobutyric acid | 502305.22 | 471212.00 | |
| gamma-Fagarine | 129897.44 | 91297.75 | |
| Gamma glutamyl ornithine | 88821.78 | 78093.25 | |
| Gamma-Glutamyl-Se-methylselenocysteine | 1044813.11 | 661752.25 | |
| gamma-thiomethyl glutamate | 150251.00 | 78358.25 | |
| Gentisin | 595595.12 | 716711.67 | |
| Glu/Ala/Pro | 67359.56 | 91281.00 | |
| Glu/Ala/Ser | 449201.44 | 446799.25 | |
| Glu/Ala/Thr | 56840.00 | 43374.00 | |
| Glu/Ala/Val | 62952.56 | 155591.75 | |
| Glu/Arg | 22096.57 | 86309.00 | |
| Glu/Asp/Val | 16055.00 | 43046.50 | |
| Glu/Glu/Glu/Lys/Trp | 19573.33 | 215847.50 | |
| Glu/Glu/Lys/Pro | 35134.11 | 63025.25 | |
| Glu/Glu/Pro | 146308.78 | 419474.25 | |
| Glu/Lys | 49081.44 | 197748.25 | |
| Glu/Met/Thr | 100676.67 | 72838.50 | |
| Glutamic acid | 133452171.56 | 108963202.00 | |
| Glutamine | 292065240.89 | 295498316.00 | |
| glutathione sulfinate | 4384187.22 | 4481027.75 | |
| Gly/Arg | - | 180540.00 | |
| Gly/His | 82163.44 | 113944.75 | |
| Gly/Leu | 23064.43 | 88486.75 | |
| Gravacridonolchlorine | 163943.00 | 174598.00 | |
| Guanidoacetic acid | 254028.33 | 194910.33 | |
| Halosulfuron-methyl | 190979.33 | 164463.75 | |
| Heptadecanoyl carnitine | 888039.67 | 952413.00 | |
| Heterodendrin | 3672907.00 | 4843561.50 | |
| His/Asn/Arg/Ser/Ser | 92092.22 | 151687.75 | |
| His/His | 97621.67 | 137451.50 | |
| His/Leu | 30669.00 | 155221.75 | |
| Histidine | 1181752.11 | 1313460.50 | |
| Histidine trimethylbetaine | 17398323.67 | 18985995.25 | |
| Homocitrulline | 205793.67 | 174326.50 | |
| Homoglutathione | 307907.56 | 327722.75 | |
| Hydroxybutyrylcarnitine | 550164.00 | 633993.75 | |
| Hydroxyhexanoycarnitine | 128134.89 | 167705.00 | |
| hydroxyisovaleroyl carnitine | 1782359.33 | 2134135.50 | |
| Hypoxanthine | 215082469.33 | 190061020.00 | |
| Ile/Ala | 2544970.89 | 2581719.25 | |
| Ile/Ala/Ser | - | 66602.00 | |
| Ile/Arg | - | 156684.50 | |
| Ile/Arg/Arg/Arg/Tyr | 133426.67 | 118048.50 | |
| Ile/Cys/Gly | 759012.56 | 784803.25 | |
| Ile/Cys/Phe | 116945.89 | 103059.75 | |
| Ile/Gly/Lys | - | 121758.50 | |
| Ile/Lys | 23360.25 | 121088.75 | |
| Ile/Lys/Pro | 3222347.22 | 2938167.00 | |
| Ile/Pro | 3756918.11 | 4047599.00 | |
| Ile/Ser | 71650.00 | 431168.25 | |
| Ile/Thr | - | 199539.00 | |
| Ile/Tyr | 108700.14 | 34976.50 | |
| Ile/Val | - | 371931.75 | |
| Indole | 125978.44 | 126238.00 | |
| (indolylmethylthiohydroximoyl)-L-cysteine | 150337.12 | 154078.75 | |
| Inosine | 578164.11 | 349427.25 | |
| Inositol cyclic phosphate | 1340099.22 | 514321.00 | |
| Isoquinoline | 90766.17 | 19957.00 | |
| Kaempferol 3-sulfate-7-alpha-arabinopyranoside | 352023.56 | 276839.50 | |
| Kievitone hydrate | 8574082.11 | 6123976.50 | |
| Kynurenic acid | 23027.67 | - | |
| Kynurenine | 134882.86 | 107235.00 | |
| Labriformin | 442105.78 | 457888.00 | |
| Lacto-N-tetraose | 131007.56 | 98427.00 | |
| Lactosylceramide (d18:1/16:0) | 364559.22 | 466649.25 | |
| Lactoylglutathione | 243095.62 | 75072.00 | |
| Lenticin | 19775648.44 | 7749332.50 | |
| Leucine | 48475868.00 | 44902018.50 | |
| Leu/Leu | - | 165869.25 | |
| Linatine | 169204.22 | 116649.75 | |
| Linoleyl carnitine | 1392493.44 | 1286831.50 | |
| Longifolonine | 703278.56 | 905062.50 | |
| Lys/Ala/Gly | 11633.80 | 89009.00 | |
| Lys/Asn | 14946.80 | 147169.50 | |
| Lys/Gly | 55774.56 | 633664.75 | |
| Lys/His | 85679.44 | 684852.00 | |
| Lysine | 3506572.78 | 3214773.50 | |
| Lys/Met/Thr/Thr/Thr | - | 36929.50 | |
| LysoPC(16:0) | 7504002.44 | 6986451.00 | |
| LysoPC(16:1) | 328115.89 | 291269.25 | |
| LysoPC(18:0) | 12690552.33 | 12517628.75 | |
| LysoPC(18:1) | 2308501.00 | 1727325.75 | |
| LysoPC(18:2) | 2148701.00 | 1313376.00 | |
| LysoPC(18:3) | 435439.67 | 406629.50 | |
| LysoPC(20:0) | 355411.00 | 330430.25 | |
| LysoPC(20:3) | 249191.00 | 155310.00 | |
| LysoPC(O-16:1) | 990476.56 | 924524.25 | |
| LysoPC(O-18:0) | 372451.44 | 377005.50 | |
| LysoPC(O-18:1) | 343217.89 | 318446.00 | |
| LysoPE(18:0) | 670672.78 | 556625.50 | |
| LysoPE(18:1) | 2147567.89 | 1450574.25 | |
| LysoPE(20:0) | 1010621.00 | 1172308.00 | |
| LysoPE(20:4) | 1693228.11 | 1223469.00 | |
| LysoPE(22:4) | 344140.33 | 247462.50 | |
| LysoPE(22:5) | 364133.00 | 248718.75 | |
| LysoPE(22:6) | 432180.00 | 306137.50 | |
| Lys/Phe | - | 47989.25 | |
| Lys/Pro | 138229.33 | 636848.75 | |
| Lys/Ser | 84899.56 | 644120.50 | |
| Lys/Thr | 16386.00 | 154303.25 | |
| Lys/Thr/Ser | 200847.78 | 216875.50 | |
| Lys/Trp/Gly | - | 92632.75 | |
| Lys/Val/Gly | - | 149795.25 | |
| Maleic acid homopolymer | 247983.11 | 169989.00 | |
| malyl alpha-D-glucosaminide | 51653.67 | 42027.25 | |
| Mannitol | 25955799.44 | 21492870.50 | |
| meleagrin | 106881.83 | 57053.50 | |
| Met/Ala/Gly | 1776651.78 | 2012206.75 | |
| Methionine | 30840211.33 | 28180796.00 | |
| Methyl 2-diazoacetamidohexonate | 1189417.00 | 1457877.25 | |
| Met/Phe/Gly | 62318.86 | 58376.50 | |
| MK-129 | 212815.67 | 172161.50 | |
| Montecristin | 155928.89 | 199433.25 | |
| MOPS | 69936.44 | 69998.50 | |
| Muramic acid | 3090193.00 | 2788236.25 | |
| Murrayanine | 183876.44 | 114597.25 | |
| N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole | 104266.14 | 29070.67 | |
| N-(1-Deoxy-1-fructosyl)proline | 130164.56 | 89956.00 | |
| N2-(D-1-Carboxyethyl)-L-arginine | 251318.44 | 239821.75 | |
| N2-gamma-Glutamylglutamine | 87337.67 | 132964.00 | |
| N-(3-oxooctanoyl)-L-homoserine | 169315.78 | 218994.00 | |
| N-(4,5-Dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)alanine | 54411.89 | 50750.25 | |
| N(6)-Methyllysine | 104110.33 | 47370.50 | |
| N6,N6,N6-Trimethyl-L-lysine | 3221871.11 | 2482985.25 | |
| N-Acetyl-b-glucosaminylamine | 105319.44 | 97747.75 | |
| N-Acetyl-D-fucosamine | 1354854.44 | 1361268.25 | |
| N-Acetyl-D-glucosamine | 1850528.67 | 1634915.50 | |
| N-acetyl-L-2-aminoadipate(2-) | 4991965.67 | 4060007.00 | |
| N-Acetyllactosamine | 849715.78 | 1018319.50 | |
| N-Acetylneuraminic acid 9-phosphate | 606379.56 | 440986.50 | |
| N-Acetylvanilalanine | 302023.11 | 379037.50 | |
| N-(docosenoyl)-hexadecasphing-4-enine-1-phosphoethanolamine | 112387.67 | 120965.75 | |
| N-(eicosanoyl)-sphinganine-1-phospho-(1^-myo-inositol) | 892883.67 | 829551.50 | |
| Ne,Ne dimethyllysine | 101084.44 | 81739.00 | |
| Neohesperidose | 156472.78 | 169497.75 | |
| Neotussilagine | 199343.33 | 260202.75 | |
| Neuraminic acid | 139627.00 | 119733.50 | |
| N^-Formylkynurenine | 59636.67 | 53663.75 | |
| N-Formyl-L-methionine | 537122.89 | 473216.00 | |
| Ngaione (-) | 168662.33 | 168024.00 | |
| Niacinamide | 4746238.00 | 3981430.75 | |
| nicotinamide guanine dinucleotide | 134523.14 | 75715.25 | |
| Nigakinone | 145550.56 | 121267.25 | |
| Nitisinone | 520612.44 | 564668.00 | |
| N-(L-Arginino)succinate | 723014.22 | 687638.00 | |
| N,N^-Bis(g-glutamyl)-3,3^-(1,2-propylenedithio)dialanine | 262155.25 | 190647.00 | |
| N-Palmitoylsphingosine | 749741.56 | 802087.25 | |
| N-Ribosylhistidine | 153264.44 | 126385.25 | |
| N-Sulfo-D-glucosamine | 89212.56 | 74035.75 | |
| Octylamine | 228287.00 | 187922.50 | |
| Oleoylcarnitine | 3959508.56 | 3509804.00 | |
| Ophthalmic acid | 214066.78 | 154721.75 | |
| Ornithine | 8435284.00 | 7111452.75 | |
| Otonecine | 333940.22 | 445416.75 | |
| Oxidized glutathione | 38077050.89 | 20571506.00 | |
| Palmitoylcarnitine | 4467683.22 | 4125608.00 | |
| Palmitoylethanolamide | 539610.78 | 793003.25 | |
| Pantothenic acid | 600913.00 | 491452.50 | |
| PC(29:0) | 1017170.67 | 1313988.50 | |
| PC(29:1) | 802751.89 | 1020260.75 | |
| PC(32:1) | 4590883.00 | 4313404.50 | |
| PC(34:2) | 5147643.67 | 3928650.25 | |
| PC(35:6) | 2883715.89 | 3166171.25 | |
| PC(36:2) | 27715838.22 | 27343299.50 | |
| PC(36:3) | 3776551.78 | 5862072.75 | |
| PC(36:4) | 22864073.22 | 23797328.50 | |
| PC(38:4) | 13761118.56 | 13377868.25 | |
| PC(38:5) | 9106352.44 | 8206170.50 | |
| PC(38:6) | 8026667.00 | 6615025.50 | |
| PC(40:5) | 1806679.11 | 1857722.00 | |
| PC(40:6) | 2984051.33 | 2767216.25 | |
| PC(40:7) | 622980.67 | 607057.75 | |
| PC(O-16:0) | 766366.44 | 699303.25 | |
| PC(P-38:4) | 1260863.56 | 1216548.75 | |
| P-DPD | 42885.75 | 20075.67 | |
| PE(34:3) | 614817.22 | 902484.50 | |
| PE(35:0) | 2320467.00 | 2281176.75 | |
| PE(36:4) | 5143368.11 | 5569983.00 | |
| PE(37:1) | 74610466.22 | 78717285.00 | |
| PE(38:1) | 2079290.33 | 1986964.50 | |
| PE(42:2) | 242801.33 | 330270.75 | |
| PE(43:4) | 512243.22 | 586007.50 | |
| Pencycuron | 462185.67 | 444167.50 | |
| penem CGP31608 | 117478.11 | 175726.00 | |
| PE(P-20:0) | 266732.11 | 264961.00 | |
| PE(P-36:2) | 743101.89 | 839011.00 | |
| PE(P-36:4) | 2732355.78 | 2857237.00 | |
| PE(P-38:3) | 1295810.89 | 1319507.75 | |
| PE(P-38:5) | 4131952.11 | 4274075.00 | |
| PE(P-38:6) | 1471071.67 | 1603309.75 | |
| PE(P-40:5) | 2512077.11 | 2330224.25 | |
| Phe/Arg | - | 173281.25 | |
| Phe/Arg/Arg/Arg/Thr | 95315.29 | 76721.50 | |
| Phe/Asn | - | 9981.00 | |
| Phe/Cys/Arg | 207539.67 | 229248.75 | |
| phe-FMDP | 154333.44 | 128737.75 | |
| Phe/Gly/His | - | - | |
| Phenylalanine | 14440843.56 | 14376969.00 | |
| phenyl sulfoxide | 1741467.89 | 2020605.25 | |
| Phosphocreatine | 622190.56 | 366193.00 | |
| Phosphophosphinate | 96489.67 | 69235.25 | |
| PI(32:1) | 281448.33 | 286560.75 | |
| Pipecolic acid | 200829.89 | 33844.00 | |
| Prenol | 6369465.67 | 7583387.75 | |
| Pro/His | 20396.57 | 138506.50 | |
| Proline | 74848503.11 | 71686676.00 | |
| Propionylcarnitine | 3734957.67 | 3640319.00 | |
| Pro/Ser | 33855.11 | 80397.25 | |
| Prosopinine | 434645.89 | 235697.25 | |
| Prosulfuron | 98881.67 | 94914.00 | |
| PS(34:0) | 687036.33 | 724036.25 | |
| PS(42:10) | 460295.78 | 425276.00 | |
| Pyridoxine | 4929974.11 | 4431026.75 | |
| Quercetagetin 3^-methylether 7-glucoside | 208724.33 | 253038.75 | |
| Quinaldic acid | 299848.00 | 227369.25 | |
| quinocarcin | 53873.22 | 33217.75 | |
| (R) 2,3-Dihydroxy-3-methylvalerate | 59132.33 | 35032.00 | |
| Resistomycin | 47192.22 | 47904.00 | |
| Ribitol | 269566.56 | 176596.50 | |
| Rugosinone | 179981.11 | 216540.00 | |
| Salicyluric beta-D-glucuronide | 1421955.75 | 1066515.33 | |
| (S)C(S)S-S-Methylcysteine sulfoxide | 57273.67 | 125733.50 | |
| Selenium Sulfide | 87365.33 | 85209.25 | |
| Ser/Arg | 11067.00 | 166025.50 | |
| Ser/His | 19737.50 | 87960.00 | |
| Serine | 10546472.11 | 11462752.25 | |
| Serotinose | 402296.22 | 399276.75 | |
| Slaframine | 5354170.89 | 5447930.75 | |
| SM(d32:1) | 3752911.44 | 3537187.75 | |
| SM(d33:1) | 2371477.11 | 2564520.25 | |
| SM(d34:1) | 28069466.00 | 33992192.00 | |
| SM(d34:2) | 2647731.89 | 2961496.50 | |
| SM(d35:1) | 847199.00 | 897702.50 | |
| SM(d36:1) | 4077373.11 | 4448624.75 | |
| SM(d37:1) | 144596.11 | 139665.50 | |
| SM(d38:1) | 691506.44 | 661928.50 | |
| SM(d38:2) | 853245.11 | 922450.50 | |
| SM(d39:1) | 160909.44 | 127234.00 | |
| SM(d39:2) | 73763.00 | 80014.75 | |
| SM(d40:1) | 2923972.67 | 2774494.00 | |
| SM(d40:2) | 2567963.78 | 2145902.50 | |
| SM(d40:3) | 91331.89 | 86941.25 | |
| SM(d41:2) | 834596.11 | 741198.50 | |
| SM(d42:1) | 4238502.56 | 5363149.00 | |
| SM(d42:3) | 2038326.89 | 1680193.00 | |
| SM(d43:1) | 147691.22 | 132412.50 | |
| SM(d43:2) | 162715.56 | 188988.00 | |
| Stearoylcarnitine | 3498152.11 | 4515378.25 | |
| Tecostanine | 278825.78 | 282245.00 | |
| Temurin | 60568.38 | 123666.50 | |
| tetrahydrocolumbamine | 284164.56 | 183178.00 | |
| Thiazinamium | 108979.11 | 86041.00 | |
| thioacetazone | 42065.44 | 66857.00 | |
| Thiomorpholine 3-carboxylate | 47900.25 | 8117.00 | |
| Thr/Ala/Pro | 56487.86 | 211171.75 | |
| Threonine | 11299461.22 | 9125402.50 | |
| Thr/His | - | 49650.25 | |
| Thr/Pro | 482525.33 | 1393598.25 | |
| Thr/Ser | 23253.00 | 117404.25 | |
| Thr/Trp/Cys | 104622.44 | 110779.75 | |
| Thr/Trp/Pro | - | 22773.00 | |
| trametinib | 3803189.00 | 3304075.25 | |
| Triacetin | 74805.33 | 73505.25 | |
| Triadimenol | 65058.22 | 42999.75 | |
| tridecadienoic acid | 328596.56 | 627448.50 | |
| triethylene glycol | 206359.50 | 167505.33 | |
| Trp/Asn | 49585.67 | 154141.25 | |
| Trp/Cys/Arg | 66530.38 | 25010.75 | |
| Trp/Cys/Gly | 259110.00 | 197812.00 | |
| Tryptophan | 7783973.00 | 7854928.50 | |
| tunicamine | 163379.38 | 168921.50 | |
| Tyrosine | 31590053.11 | 28161585.00 | |
| Val/Arg | - | 75518.75 | |
| Val/Asp | 58301.22 | 274727.25 | |
| Val/Gly | 23752.67 | 58811.50 | |
| Val/His | 40205.86 | 204903.00 | |
| Valine | 55359260.89 | 54970329.00 | |
| Val/Pro | 13902.00 | 46637.50 | |
| versicolorin A | 8468831.56 | 9399936.25 | |
| Vulgaxanthin-II | 117370.11 | 71998.50 | |
| Xestoaminol C | 180033.22 | 258867.00 | |
| Zearalenone 4-sulfate | 57673.50 | 49477.00 |
Factors:
| F1 | treatment:DMSO |
| F2 | treatment:MIPS2673 |
