Data for ST002108
| Metabolite structure | All data | F1 | F2 |
|---|---|---|---|
| 1,2-Dihydroxy-3-keto-5-methylthiopentene | 59336.95 | 53709.17 | |
| 1(2H)-Isoquinolinone | 124251.89 | 112335.75 | |
| 1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosaminyl)-1,2... | 50150.29 | 71340.12 | |
| (1,3-diphenylpropoxy)sulfonic acid | 510263.81 | 439021.74 | |
| 1,4-beta-D-Glucan | 6952952.12 | 8877502.83 | |
| 15(R)-hydroperoxy-EPE | 272750000.00 | 390777777.78 | |
| 1,6,8-trimethylallantoate | 143349.77 | 157352.67 | |
| 1-deoxyxylonojirimycin | 62467.71 | 71181.21 | |
| 1-(eicosatetraenoyl)-sn-glycero-3-phosphoserine | 226769.91 | 346039.72 | |
| 1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol | 322888.27 | 306152.86 | |
| 1-hexadecyl-sn-glycero-3-phosphocholine | 448458.71 | 529800.15 | |
| 1H-Indole-3-acetamide | 413787.25 | 506739.34 | |
| 1-Methylhypoxanthine | 80584.71 | 107308.15 | |
| 1-(Methylthio)-5-phenyl-1-penten-3-yne | 66165.30 | 103028.68 | |
| 1-Naphthylamine | 239835.95 | 224669.10 | |
| 1-octyl-2-octyl-sn-glycero-3-phosphocholine | 652509.59 | 766366.70 | |
| 2,2^-disulfonyl azobenzene | 136750.23 | 131282.26 | |
| 2,3-diacetamido-2,3-dideoxy--D-mannuronate | 65619.93 | 58368.90 | |
| 2,4-pentadienoic acid | 140896.55 | 120037.76 | |
| (2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phos... | 858543.50 | 1529675.23 | |
| 2,6-dideoxy-2-acetamidino--L-galactose | 1094111.38 | 877037.43 | |
| 2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-a... | 21977.37 | 48669.18 | |
| 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | 8337548.75 | 7762561.00 | |
| 2-Amino-2-deoxy-D-gluconate | 460198.08 | 162640.87 | |
| 2-amino-2-deoxy-D-gluconate 6-phosphate | 76201.76 | 81918.06 | |
| 2-amino-2-deoxyglucitol-6-phosphate | 377078.29 | 381481.04 | |
| 2-Amino-3-(1-pyrazolyl)propanoic acid | 1079844.98 | 1181752.01 | |
| 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1... | 51207.18 | 88068.30 | |
| 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2... | 140315.01 | 135189.19 | |
| 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[2... | 1504152.03 | 2063098.69 | |
| 2-Aminoacrylic acid | 401380.09 | 474046.18 | |
| 2-Aminoheptanoate | 8299246.12 | 7600148.56 | |
| 2-Aminonaphthalene | 97728.31 | 285909.63 | |
| 2-chloro-3-methyl-maleylacetate | 104616.83 | 113603.76 | |
| 2^-deamino-2^-hydroxy-6^-dehydroparomamine | 52110.05 | 69963.67 | |
| 2^-Deoxy-5-hydroxymethylcytidine-5^-triphosphate | 293620.60 | 216305.81 | |
| 2-Hydroxyacetaminophen sulfate | 258165.60 | 324911.54 | |
| 2-Methylbutyroylcarnitine | 266883.82 | 289578.96 | |
| 2-Oleoylglycerophosphocholine | 1974273.69 | 2308500.93 | |
| 2-O-methyl cyclic 3-deoxy-D-arabino-heptulosonate 7-phosphat... | 387887.89 | 619986.82 | |
| 2-Oxoarginine | 267192.24 | 242177.15 | |
| 2-oxohexa-4,5-cyclopropyl-5-enoate | 110870.34 | 184239.64 | |
| 2-Palmitoylglycerophosphocholine | 6677515.00 | 7506133.58 | |
| 2^-phospho-cyclic ADP-ribose | 94925.11 | 165897.30 | |
| 2-Propanoylthiazole | 134283.00 | 128212.70 | |
| (3,4,5,6-tetrahydroxyoxan-2-yl)methyl acetate | 427316.34 | 415562.07 | |
| 3,5,7-Trimethyl-undecatetraene | 4122244.91 | 3691887.84 | |
| 3,5-dibromocatechol | 303063.77 | 334980.49 | |
| 3-Butynoate | 107557.80 | 127212.91 | |
| 3-deoxy-D-galactose | 139740.63 | 215096.32 | |
| 3-(Dimethylamino)propyl benzoate | 42648.64 | 143953.41 | |
| 3-Ethylmalate | 587083.93 | 697900.43 | |
| 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine | 89126.00 | 113150.51 | |
| 3-Methyleneoxindole | 61182.69 | 151703.35 | |
| 3-nitro-2-pentanol | 609538.14 | 753178.60 | |
| 4-Acetamidobutanoic acid | 78574.55 | 2207270.15 | |
| 4a-Hydroxytetrahydrobiopterin | 1050620.02 | 962161.41 | |
| 4-Amino-4-deoxychorismate | 62182.84 | 69927.15 | |
| 4-amino-4-deoxy-L-arabinose | 69112.24 | 84359.42 | |
| 4-Aminobutyraldehyde | 278501.05 | 367144.53 | |
| 4-Guanidinobutanoic acid | 233236.23 | 198865.54 | |
| 4-Hydroxy-2-butynal | 52329.92 | 69696.64 | |
| 4-Hydroxy-5-(3^,4^,5^-trihydroxyphenyl)-valeric acid-O-methy... | 157672.50 | 168216.72 | |
| 4-Imidazolone-5-propionic acid | 82902.26 | 80421.60 | |
| 4-Methoxyglucobrassicin | 176819.59 | 178599.45 | |
| 5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein | 80991.55 | 93771.57 | |
| 5,7-Dihydroxyflavone 7-benzoate | 237564.24 | 212014.04 | |
| 5-Acetamidovalerate | 2968664.23 | 5706258.24 | |
| 5-Aminopentanoic acid | 59975000.00 | 55366666.67 | |
| 5-Hydroxy-L-tryptophan | 663033.16 | 627183.38 | |
| 5-methoxycarbonylmethyluridine | 535176.39 | 521487.52 | |
| 5^-Methylthioadenosine | 3579696.50 | 5110584.21 | |
| 5-Nitro-2-(3-phenylpropylamino)benzoic acid | 341253.49 | 331487.99 | |
| 6-{4-[-3-[(3-carboxy-5,6-dihydroxycyclohex-3-en-1-yl)oxy]-3-... | 111050.33 | 305302.96 | |
| 6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methy... | 1224295.33 | 1347720.03 | |
| 6,7-Dimethyl-8-(1-D-ribityl)lumazine | 127361.34 | 125976.58 | |
| 6-Acetamido-3-aminohexanoate | 611362.90 | 409497.45 | |
| 6-deoxy-5-ketofructose-1-phosphate | 729091.66 | 1345438.83 | |
| 6-Hydroxyl-1,6-dihydropurine ribonucleoside | 247799.09 | 226304.79 | |
| 6-Hydroxy-R-acenocoumarol | 91878.54 | 117576.34 | |
| 6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydr... | 588967.20 | 71338.65 | |
| 6-Methyltetrahydropterin | 947917.16 | 987017.07 | |
| 7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone | 167058.89 | 171512.76 | |
| 7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-5-[1- -D- ... | 173363.86 | 193123.94 | |
| 7-chloro-2-(3,4-dimethoxyphenyl)-8-hydroxy-3,5,6-trimethoxy-... | 84817.36 | 111376.36 | |
| 8-Amino-7-oxononanoate | 6263085.12 | 4266204.50 | |
| (8-hydroxydecyl)-(hydroxymethyl)-piperidin-ol | 7182224.94 | 6967500.49 | |
| 9,10-seco-5,7,10(19)-cholestatriene | 116770.48 | 100394.42 | |
| Acetylcarnitine | 24125000.00 | 28366666.67 | |
| acibenzolar-S-methyl | 115108.79 | 145172.19 | |
| Adenine | 678732.84 | 846881.85 | |
| Adenosine | 139301.18 | 136724.08 | |
| Adenosine monophosphate | 4408590.50 | 7143559.14 | |
| Adenosine triphosphate | 1989766.92 | 4064799.50 | |
| Adenosylhomocysteine | 313787.00 | 369620.85 | |
| Adenosylmethionine | 1348212.78 | 1747540.81 | |
| ADP | 2968239.78 | 6436200.89 | |
| ADP-Mannose | 219548.56 | 192006.04 | |
| Ala/Ala/Ala | 185468.28 | - | |
| Ala/Ala/Ala/Pro | 239811.51 | - | |
| Ala/Ala/Ala/Ser | 939479.31 | 878335.75 | |
| Ala/Ala/Ser | 376999.52 | 33538.75 | |
| Ala/Asn/Pro | 90758.15 | 25994.22 | |
| Ala/Asp/Asp/Asn/Pro | 177150.30 | 186489.42 | |
| Ala/Asp/Cys/Ser | 208450.86 | 155721.44 | |
| Ala/Asp/Gly/Gly | 100540.43 | 86330.44 | |
| Ala/Asp/Pro | 435853.02 | 113118.93 | |
| Ala/Asp/Ser | 362388.14 | 328229.61 | |
| Ala/Cys/Cys/Asn/Thr | 72147.94 | 66971.93 | |
| Ala/Glu/Glu/His | 465655.41 | 334329.37 | |
| Ala/Glu/Ile/Pro/Thr | 335672.36 | 383880.88 | |
| Ala/Gly/Pro | 157535.90 | 48408.23 | |
| Ala/Gly/Tyr | 236996.61 | - | |
| Ala/Ile/Arg/Ile | 1095251.38 | 1068238.38 | |
| Ala/Ile/Pro/Pro/Ser | 520044.96 | 653473.45 | |
| Ala/Leu/Gly/Arg | 152860.07 | 136930.03 | |
| Ala/Leu/Lys/Asp | 67758.01 | 54106.12 | |
| Ala/Leu/Thr/Ala | 2923932.16 | 2707836.39 | |
| Ala/Leu/Trp/Ser | 1568225.16 | 454221.53 | |
| Ala/Lys/Ala/Ala | 628563.59 | 205367.68 | |
| Ala/Lys/Lys/Asp | 519141.46 | 384472.03 | |
| Ala/Met/Asp/Tyr | 7767285.50 | 7875717.22 | |
| Ala/Met/Trp/Asp | 80282.89 | 74665.20 | |
| Alanine | 7276560.31 | 7364009.83 | |
| Alanyl-Asparagine | 130778.50 | - | |
| Alanyl-Proline | 159716.69 | 297234.19 | |
| Ala/Pro/Ser/Ser | 113234.92 | 94340.48 | |
| Ala/Ser/Ser | 81233.31 | 84416.31 | |
| Ala/Thr/Ala/Asp | 311115.88 | 169576.94 | |
| Ala/Thr/Ala/Gly | 595834.71 | 535658.75 | |
| Ala/Val/Ala/Arg | 136537.98 | 120449.36 | |
| Ala/Val/Asp/Ser | 84715.05 | 69670.42 | |
| Ala/Val/Gly/Pro | 359320.75 | 56589.69 | |
| Aloesin | 250599.97 | 277607.01 | |
| Alpha-Lactose | 68230.41 | 87278.85 | |
| Alpha-Pinene-oxide | 375166.11 | 356771.77 | |
| Aminoadipic acid | 719834.65 | 2150372.16 | |
| Aminohydroquinone | 161262.42 | 209225.81 | |
| Arg/Asp/Asp/Gly | 91072.80 | 148658.23 | |
| Arginine | 16125000.00 | 16777777.78 | |
| Arg/Phe/Cys/Gly | 107609.79 | 105880.02 | |
| Arsenobetaine | 94878.48 | 93528.17 | |
| Asn/Asn/Gln/Ser | 110659.19 | 129564.28 | |
| Asn/Asp/Gly | 87159.95 | 105150.87 | |
| Asn/Gln/Gln/Tyr/Tyr | 1196652.38 | 3118747.94 | |
| Asn/Glu/Ile/Pro | 162721.16 | 162904.40 | |
| Asn/Gly/Pro/Pro | 488715.63 | 305576.80 | |
| Asn/Leu/Lys/Asp | 89097.47 | 49018.89 | |
| Asn/Leu/Pro/Pro | 336927.27 | 271540.90 | |
| Asn/Leu/Pro/Ser | 266287.67 | 135818.81 | |
| Asn/Lys/Gly/Gly | 74238.45 | 67629.79 | |
| Asn/Thr/Cys/Ser | 225923.30 | 188087.08 | |
| Asparagine | 22425000.00 | 19833333.33 | |
| Asparaginyl-Asparagine | 88454.62 | 15311.23 | |
| Asparaginyl-Aspartic acid | 252674.05 | 214978.34 | |
| Asparaginyl-Hydroxyproline | 68428.57 | 76161.72 | |
| Asparaginyl-Proline | 2199356.47 | 407371.96 | |
| Aspartyl-Arginine | 211092.50 | 212153.69 | |
| Aspartyl-Aspartate | 255703.58 | 316482.94 | |
| Asp/Asp/Asp/Gly/Asn | 49479.93 | 68644.63 | |
| Asp/Cys/Cys/Ser | 473807.07 | 1066828.56 | |
| Asp/Cys/Ser/Tyr | 35523.97 | 73017.95 | |
| Asp/Gly/Arg | 261126.74 | 237607.55 | |
| Asp/His/His/Met/Trp | 92831.66 | 114369.22 | |
| Asp/Leu/Lys/Asp | 139954.84 | 135365.81 | |
| Asp/Met/Pro/Pro | 53136.39 | 115438.88 | |
| Asp/Phe/Pro/His | 137810.40 | - | |
| Asp/Ser/Ser | 58042.41 | 85370.14 | |
| Asp/Val/Gly/Ser | 94504.03 | 103763.62 | |
| Asp/Val/Pro/Ser | 416623.26 | 444818.39 | |
| bathophenanthroline sulfonate | 122684.18 | 96654.61 | |
| benzalkonium | 98883.44 | 99172.51 | |
| Benzeneacetonitrile | 112846.29 | 125978.37 | |
| beta-aspartyl-L-glutamic acid | 128633.40 | 161325.91 | |
| beta-aspartyl-L-leucine | 467539.33 | 413553.01 | |
| Beta-Citryl-L-glutamic acid | 193813.81 | 349611.65 | |
| Biotin amide | 766081.38 | 771857.14 | |
| Butyrylcarnitine | 667787.66 | 513006.57 | |
| Caffeoylferuloylspermidine | 177268.46 | - | |
| Capryloylglycine | 127043.07 | 80164.72 | |
| Carglumic acid | 338268.50 | 332408.98 | |
| Carnitinamide | 45498.86 | 104110.41 | |
| Carnitine | 20013651.56 | 20322664.11 | |
| casuarine | 1377236.09 | 1354854.23 | |
| CDP-Ethanolamine | 482175.77 | 334480.78 | |
| CDP-ribitol | 63795.74 | 72487.22 | |
| Cer(d18:1/22:1) | 407964.40 | 392367.07 | |
| Cer(d18:1/24:1) | 2486964.47 | 1859587.63 | |
| Chelirubine | 154738.29 | 298257.27 | |
| CHES | 1480500.30 | 1042864.68 | |
| Chlorambucil | 93339.22 | 114559.69 | |
| Chlorosesamone | 82586.64 | 97721.91 | |
| Cholesteryl acetate | 604851.15 | 496367.10 | |
| Choline | 8591645.12 | 6369210.31 | |
| cis-Resveratrol 3-sulfate | 164185.75 | 158097.61 | |
| Citicoline | 728249.23 | 534613.60 | |
| Citrulline | 18373046.00 | 17800000.00 | |
| CMP-N-trimethyl-2-aminoethylphosphonate | 4071777.66 | 3697606.29 | |
| Co-[-(2-methyladenin-9-yl)]-Co-adenosylcobamide 5^-phosphate | 400007.50 | 442613.06 | |
| coelenterazine v | 104596.61 | 101933.18 | |
| Creatine | 417250000.00 | 531888888.89 | |
| cycloguanil | 79634.53 | 123297.43 | |
| Cys/Asp/Asp/Pro/Ser | 14050000.00 | 17436007.11 | |
| Cys/Asp/His/Met/Trp | 188189.94 | 166561.31 | |
| Cys/Asp/His/Trp/Trp | 578206.70 | 612445.02 | |
| Cys/Cys/Asn/Gln/Thr | 77415.25 | 119000.52 | |
| Cys/Cys/Asn/Ser/Thr | 62373.89 | 59125.81 | |
| Cys/Cys/Asp/Asn/Pro | 110209.49 | 156439.36 | |
| Cys/Cys/Asp/Phe/Lys | 237469.79 | 360697.92 | |
| Cys/Cys/Met/Asn/Arg | 289998.60 | 296953.64 | |
| Cys/Cys/Pro/Ser | 428097.30 | 420234.59 | |
| Cys/Glu/Phe/Arg/Tyr | 2457109.41 | 3904689.28 | |
| Cys/Gly/Pro | 1758903.31 | 1993101.89 | |
| Cys/Gly/Trp/Trp/Trp | 8507190.75 | 4778990.14 | |
| Cys/Leu/Cys/Tyr | 876647.98 | 835586.60 | |
| Cys/Lys/Thr/Thr/Thr | 196795.00 | - | |
| Cys/Phe/Pro/Arg/Thr | 502000.83 | 757502.07 | |
| Cystine | 56685.86 | 107223.00 | |
| cytidine 5^-{[hydroxy(2-hydroxyethyl)phosphonoyl]phosphate} | 182111.87 | 185698.20 | |
| D-desosamine | 246099.33 | 112998.23 | |
| deacetylcolchicine | 240766.27 | 228504.21 | |
| Dehydromillettone | 48196.04 | 47192.18 | |
| Deoxyguanidinoproclavaminic acid | 131197.13 | 166823.15 | |
| Deoxyrubroskyrin | 430882.08 | 407672.95 | |
| Dethiobiotin | 321309.44 | 41463.14 | |
| Diethanolamine | 532017.20 | 522124.09 | |
| Diethyl tartrate | 42123.39 | 72504.20 | |
| Dihydrobiopterin | 9021713.75 | 13063240.00 | |
| dihydrothymidine | 6147713.38 | 2256655.56 | |
| Dimethylglycine | 573665.48 | 613828.11 | |
| dIMP | 774461.33 | 1148641.59 | |
| Diphthamide | 183483.28 | 188675.97 | |
| DL-2-Aminooctanoic acid | 13400078.75 | 8300230.61 | |
| DMDP | 92101.86 | 96682.18 | |
| dTDP-2,3,6-trideoxy-3-C-methyl-3-nitro--L-arabino-hexopyrano... | 116923.94 | 104192.68 | |
| Ectoine | 325081.79 | 328431.38 | |
| Epigallocatechin 3,5-di-gallate | 184860.15 | 241546.30 | |
| Epsilon-(gamma-Glutamyl)-lysine | 92006.55 | 113709.10 | |
| Ergothioneine | 6217661.62 | 6262106.57 | |
| erucamide | 3439969.28 | 1620627.56 | |
| erythro-D-galacto-octitol | 231009.78 | 215026.48 | |
| FA (14:2) tetradecadienal | 945275.59 | 952417.91 | |
| FA (16:2) | 988540.62 | 857976.53 | |
| formycin A | 101893.55 | 37836.75 | |
| Fructoseglycine | 121093.20 | 182586.52 | |
| Galabiosylceramide (d18:1/16:0) | 453236.78 | 364559.32 | |
| Galipine | 634466.96 | - | |
| Gallagic acid | 175639.79 | 147164.08 | |
| gamma-Aminobutyric acid | 1297953.61 | 1189877.58 | |
| gamma-Glutamylalanine | 295502.09 | 75116.45 | |
| gamma-Glutamyl-beta-cyanoalanine | 341086.03 | 380930.55 | |
| gamma-Glutamylcysteine | 80433.78 | 84699.77 | |
| gamma-Glutamyl-gamma-aminobutyraldehyde | 2005406.75 | 482525.40 | |
| gamma-Glutamylisoleucine | 452633.76 | 424166.45 | |
| Gamma glutamyl ornithine | 520831.78 | 368201.93 | |
| Gamma-Glutamyl-Se-methylselenocysteine | 732603.30 | 1044813.09 | |
| GDP-3,6-dideoxy-D-galactose | 1018332.86 | 1140255.56 | |
| Gericudranins B | 161772.43 | 186300.62 | |
| Glu/Ala/Pro | 320939.37 | 67359.59 | |
| Glu/Ala/Ser | 456377.46 | 449201.38 | |
| Glu/Ala/Val | 437352.43 | 62952.37 | |
| Glucoconringiin | 131329.20 | 139640.85 | |
| Glucosamine | 557772.64 | 393470.05 | |
| Glucosamine 6-phosphate | 105850.88 | 77223.58 | |
| Glucose oxime | 58376.19 | 107355.77 | |
| Glucosylgalactosyl hydroxylysine | 61183.91 | 64341.85 | |
| Glu/Glu/Lys/Pro | 107928.77 | 35134.04 | |
| Glu/Glu/Pro | 602521.95 | 146308.72 | |
| Glu/Met/Ser | 944147.98 | 1181070.13 | |
| Glu/Met/Thr | 77828.76 | 100676.69 | |
| Glu/Ser/Thr | 577174.33 | 565947.47 | |
| Glu/Ser/Val | 130479.13 | 77973.05 | |
| Glutamic acid | 115625000.00 | 133400000.00 | |
| Glutamine | 311000000.00 | 292111111.11 | |
| Glutamyllysine | 97807.30 | 49081.29 | |
| Glutathione | 112175000.00 | 118066666.67 | |
| glutathione sulfinate | 4253291.44 | 4384187.11 | |
| Glycerophosphocholine | 5879950.75 | 10182384.06 | |
| glycerophosphoserine | 195265.17 | 252833.25 | |
| Glycylleucine | 505850.12 | 730771.35 | |
| Gly/Gly/Pro | 1629151.41 | 287777.56 | |
| Gravacridonolchlorine | 151332.91 | 163942.93 | |
| Guanine | 251627.91 | 259340.80 | |
| Guanosine 3^-phosphate | 30502.69 | 46722.68 | |
| Guanosine diphosphate | 104252.59 | 109377.98 | |
| Guanosine diphosphate mannose | 365520.84 | 550943.98 | |
| Halosulfuron-methyl | 147448.12 | 190979.27 | |
| Heptadecanoyl carnitine | 531111.34 | 490999.02 | |
| His/Asn/Arg/Ser/Ser | 138979.07 | 92092.28 | |
| Histidine | 52875000.00 | 52211111.11 | |
| Histidine trimethylbetaine | 17600000.00 | 17400000.00 | |
| Histidinyl-Leucine | 582504.59 | 82555.69 | |
| Homocarnosine | 177397.93 | 272775.70 | |
| Homocitrulline | 168362.69 | 205793.58 | |
| Homoglutathione | 311129.21 | 307907.42 | |
| Hydroxybutyrylcarnitine | 699996.52 | 550163.97 | |
| Hydroxyhexanoycarnitine | 162612.71 | 128134.96 | |
| hydroxyisovaleroyl carnitine | 2281516.69 | 1782359.22 | |
| Hypoxanthine | 194250000.00 | 215111111.11 | |
| IDP-D-mannose | 209541.86 | 197475.08 | |
| Ile/Ala/Ser | 118717.86 | - | |
| Ile/Arg/Arg/Arg/Tyr | 159157.23 | 133426.76 | |
| Ile/Cys/Gly | 689690.42 | 759012.39 | |
| Ile/Cys/Phe | 104753.95 | 116945.82 | |
| Indole | 57429.26 | 153878.39 | |
| indole-3-carbinonium ion | 28418.63 | 90766.15 | |
| Inosine | 279112.07 | 578164.06 | |
| Inositol cyclic phosphate | 494201.73 | 1340099.19 | |
| Isoleucine | 49025000.00 | 55033333.33 | |
| Isoleucyl-Alanine | 2587065.09 | 2544970.88 | |
| Isoleucyl-Asparagine | 301123.73 | 35160.98 | |
| Isoleucylproline | 3994299.00 | 3756918.08 | |
| Isoleucyl-Serine | 706731.70 | 71649.88 | |
| Isoleucyl-Threonine | 203986.48 | - | |
| Isoleucyl-Tyrosine | 30266.85 | 108700.10 | |
| Kaempferide 5-glucoside-7-glucuronide | 361092.54 | 383367.18 | |
| Kaempferol 3-sulfate-7-alpha-arabinopyranoside | 279905.70 | 352023.62 | |
| Kievitone hydrate | 5947866.62 | 8568017.86 | |
| Kynurenine | 56637.60 | 134882.77 | |
| Kyotorphin | 247449.24 | 151633.16 | |
| Lactoylglutathione | 69198.10 | 243095.79 | |
| Lenticin | 7572656.38 | 19767933.61 | |
| Leucine | 42650000.00 | 48466666.67 | |
| Leucyl-Alanine | 516291.97 | 122063.75 | |
| Leucylproline | 1517501.31 | 1343247.79 | |
| Linatine | 109573.13 | 169204.24 | |
| Linoelaidyl carnitine | 722303.52 | 709045.24 | |
| Lotaustralin | 4393717.38 | 3672907.07 | |
| Lysine | 3557779.44 | 3506572.64 | |
| Lys/Met/Thr/Thr/Thr | 101374.95 | - | |
| LysoPC(15:0) | 897922.20 | 926222.19 | |
| LysoPC(17:0) | 773168.41 | 724455.55 | |
| LysoPC(18:0) | 12127185.50 | 12691214.11 | |
| LysoPC(18:1) | 3576084.56 | 4378849.17 | |
| LysoPC(18:2) | 1500473.23 | 2148700.83 | |
| LysoPC(18:3) | 362702.44 | 435439.72 | |
| LysoPC(20:0/0:0) | 316807.85 | 355410.99 | |
| LysoPC(20:3) | 426894.87 | 525616.89 | |
| LysoPC(O-18:0) | 423581.48 | 372451.40 | |
| LysoPC(P-16:0) | 491139.25 | 633105.26 | |
| LysoPC(P-18:0) | 285468.71 | 343217.75 | |
| LysoPE(0:0/18:0) | 615911.67 | 670672.84 | |
| LysoPE(0:0/18:1) | 1532277.20 | 1693487.09 | |
| LysoPE(0:0/20:4) | 1267784.91 | 1693227.91 | |
| LysoPE(0:0/22:4) | 268862.30 | 344140.53 | |
| LysoPE(0:0/22:5) | 252848.72 | 364133.05 | |
| LysoPE(0:0/22:6) | 339052.89 | 432179.95 | |
| LysoPE(18:1) | 934333.45 | 1044178.83 | |
| Lysopine | 290496.04 | 357255.93 | |
| Lys/Thr/Ser | 210333.96 | 200847.79 | |
| Lys/Thr/Thr | 195266.48 | 184839.49 | |
| Lysyl-Asparagine | 108827.03 | 14946.56 | |
| Lysyl-Aspartate | 195520.31 | 159188.32 | |
| Lysyl-Glycine | 193019.84 | 55774.55 | |
| Lysyl-Histidine | 556006.03 | 85679.58 | |
| Lysyl-Proline | 831829.88 | 138229.19 | |
| Lysyl-Serine | 84386.86 | 77719.02 | |
| Lysyl-Threonine | 165579.88 | 16385.90 | |
| Lysyl-Valine | 1696361.97 | 122855.06 | |
| Magnoflorine | 1087911.53 | 1170452.59 | |
| Maleic acid homopolymer | 143963.92 | 247983.14 | |
| malyl alpha-D-glucosaminide | 34472.87 | 51653.73 | |
| Met/Ala/Gly | 2039427.12 | 1776651.92 | |
| Methionine | 29250000.00 | 30844444.44 | |
| Methionine sulfoxide | 908236.75 | 974710.21 | |
| Methocarbamol | 801925.47 | 636034.13 | |
| Methyl 2-diazoacetamidohexonate | 1334972.53 | 1189416.98 | |
| methyl-5^-thioinosine | 165187.89 | 172549.40 | |
| Metronidazole | 159328.60 | 134504.71 | |
| Montecristin | 180214.30 | 155928.93 | |
| Muramic acid | 2504318.94 | 3090192.74 | |
| mycaminose | 311368.68 | 336260.98 | |
| Mycosporine | 672615.17 | 2108776.04 | |
| N2-(D-1-Carboxyethyl)-L-arginine | 267194.97 | 251318.55 | |
| N2-Fructopyranosylarginine | 43773.29 | 93670.16 | |
| N2-gamma-Glutamylglutamine | 135121.17 | 87337.82 | |
| N2-Succinyl-L-ornithine | 408032.88 | 58301.13 | |
| N-(3-oxohexanoyl)-L-homoserine | 291518.63 | 269343.98 | |
| N4-Acetylaminobutanal | 99809.68 | 226473.56 | |
| N5-acetyl-N5-hydroxy-L-ornithine | 1444916.08 | 2170818.72 | |
| N6-Acetyl-L-lysine | 1411720.16 | 172618.80 | |
| N6-Acetyl-N6-hydroxy-L-lysine | 130692.45 | - | |
| N6-beta-Aspartyllysine | 283300.60 | 238203.22 | |
| N6,N6,N6-Trimethyl-L-lysine | 2181637.09 | 3221870.97 | |
| N-acetyl-9-O-acetylneuraminate | 350580.54 | 301458.64 | |
| N-Acetyl-beta-alanine | 48375000.00 | 51511111.11 | |
| N-Acetyl-b-glucosaminylamine | 107237.46 | 105319.46 | |
| N-Acetyl-D-glucosaminate | 101243.12 | 127903.03 | |
| N-Acetyl-D-glucosamine | 1969878.69 | 2656669.07 | |
| N-acetyl -D- glucosaminitol | 706964.84 | 790137.14 | |
| N-acetyl-L-2-aminoadipate(2-) | 3870466.00 | 4991965.44 | |
| N-Acetyllactosamine | 1003621.42 | 849715.85 | |
| N-Acetylleucine | 523887.11 | 1051314.89 | |
| N-Acetylputrescine | 846189.00 | 811245.03 | |
| N-acetyl-tabtoxinine--lactam | 3229563.81 | 1904690.48 | |
| NAD | 20350000.00 | 18644444.44 | |
| NADP | 770024.00 | 1124095.17 | |
| N-(docosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine | 2312996.53 | 2371476.96 | |
| N-(eicosanoyl)-tetradecasphing-4-enine | 853471.20 | 749741.68 | |
| Ne,Ne dimethyllysine | 85515.75 | 101084.30 | |
| Neotussilagine | 205978.72 | 199343.27 | |
| Neuraminic acid | 118015.24 | 139627.09 | |
| N^-Formylkynurenine | 45207.04 | 59636.68 | |
| N-Gluconyl ethanolamine phosphate | 307577.79 | 463008.35 | |
| N-(heneicosanoyl)-tetradecasphing-4-enine-1-phosphoethanolam... | 3017299.84 | 3752911.22 | |
| N-(hexacosanoyl)-tetradecasphing-4-enine-1-phosphoethanolami... | 144854.04 | 144596.09 | |
| N-hydroxy DAP | 128179.46 | 23252.79 | |
| N-hydroxyisoleucine | 167158.83 | 100260.69 | |
| N-Hydroxy-L-tyrosine | 233434.25 | 300165.82 | |
| Niacinamide | 3012702.31 | 4742696.12 | |
| Nicotinamide ribotide | 931516.38 | 832130.10 | |
| nicotine blue leuco form | 81806.15 | 77585.42 | |
| Nitisinone | 603379.41 | 520612.32 | |
| N-(L-Arginino)succinate | 649142.41 | 723014.07 | |
| N-methyl-L-glutamic Acid | 155392.45 | 190136.61 | |
| N,N^-Bis(g-glutamyl)-3,3^-(1,2-propylenedithio)dialanine | 204952.72 | 262155.27 | |
| N-(pentacosanoyl)-sphing-4-enine-1-phosphocholine | 133954.53 | 147691.19 | |
| N-Ribosylhistidine | 120817.57 | 153264.44 | |
| N-Stearoyl tyrosine | 713621.48 | 429988.75 | |
| N-sulfo-D-glucosamine | 74527.39 | 89212.78 | |
| N-(tetracosanoyl)-tetradecasphing-4-enine-1-phosphoethanolam... | 986943.94 | 1032773.60 | |
| N-(tricosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamin... | 33300000.00 | 33077777.78 | |
| N-(tricosanoyl)-tetradecasphingadienine-1-phosphoethanolamin... | 2613239.69 | 2647731.67 | |
| O-Acetylneuraminic acid | 308079.85 | 360129.84 | |
| Octadecenylcarnitine | 4171913.50 | 3959508.25 | |
| Oleoylcarnitine | 7320786.94 | 7827629.61 | |
| Ophthalmic acid | 149977.48 | 214066.85 | |
| Ornithine | 7341013.62 | 8446329.06 | |
| Otonecine | 739225.19 | 593284.02 | |
| Ovalicin | 105278.15 | - | |
| Oxidized glutathione | 20075000.00 | 38066666.67 | |
| Oxopurpureine | 95488.43 | 102831.03 | |
| Palmitoylcarnitine | 6589115.25 | 7030664.00 | |
| Palmitoylethanolamide | 695452.69 | 539610.82 | |
| PC(12:0/20:1) | 4205720.56 | 4590882.89 | |
| PC(13:0/18:1) | 1743585.62 | 1552019.83 | |
| PC(14:0/16:0) | 1147478.67 | 1681430.15 | |
| PC(14:0/20:1) | 20600000.00 | 16666576.44 | |
| PC(14:0/20:2) | 4282768.12 | 5147643.56 | |
| PC(14:0/22:4) | 22800000.00 | 22866666.67 | |
| PC(14:1/15:0) | 1028072.12 | 802751.93 | |
| PC(14:1/22:2) | 1312551.31 | 1405758.25 | |
| PC(15:0/18:4) | 5541883.38 | 5143367.72 | |
| PC(15:1) | 1777627.91 | 2147567.87 | |
| PC(16:0/16:0) | 4208708.50 | 2994912.62 | |
| PC(16:0/22:4) | 12650000.00 | 13751961.00 | |
| PC(16:0/22:5) | 7685839.25 | 9104480.89 | |
| PC(16:0/22:6) | 6274094.25 | 8032374.39 | |
| PC(17:0/12:0) | 1369788.12 | 1017170.81 | |
| PC(18:0/22:5) | 1704326.22 | 1806679.02 | |
| PC(18:0/22:6) | 2604362.84 | 2984051.18 | |
| PC(18:1/18:1) | 25525000.00 | 27711111.11 | |
| PC(18:1/22:6) | 582213.84 | 622980.73 | |
| PC(35:6) | 3016664.12 | 2883715.83 | |
| PC methyl(16:0) | 1002576.00 | 1010621.00 | |
| PC(P-16:0/22:4) | 1230270.45 | 1260863.34 | |
| PE(14:0/20:1) | 4487795.81 | 4374734.72 | |
| PE(14:0/20:3) | 866629.94 | 614817.19 | |
| PE(14:0/22:0) | 742715.31 | 779802.16 | |
| PE(15:0/20:0) | 1790870.75 | 1708159.21 | |
| PE(15:0/22:1) | 6630198.88 | 7262445.67 | |
| PE(15:0/22:2) | 22405408.75 | 56255555.56 | |
| PE(16:0/22:1) | 1688193.16 | 2079290.36 | |
| PE(16:0/P-18:1) | 837063.94 | 750682.87 | |
| PE(16:1/20:3) | 1334746.84 | 1202569.22 | |
| PE(18:1/P-18:1) | 778199.25 | 743101.72 | |
| PE(18:3/P-18:1) | 2819512.81 | 2732355.53 | |
| PE(19:0) | 10555963.75 | 13022524.72 | |
| PE(19:1/0:0) | 253319.80 | 328115.85 | |
| PE(20:4/P-18:1) | 4413197.50 | 4131951.89 | |
| PE(22:1/15:0) | 9081460.75 | 10457836.83 | |
| PE(37:1) | 72675000.00 | 74622222.22 | |
| PE(39:2) | 8649635.88 | 8509396.06 | |
| PE(39:3) | 1471765.75 | 1830763.72 | |
| PE(41:4) | 2539224.53 | 2472374.44 | |
| PE(43:4) | 512912.83 | 512243.02 | |
| Pentadecanoylcarnitine | 283639.07 | 293127.09 | |
| PE(O-18:1/20:4) | 6293819.88 | 6457353.00 | |
| PE(P-18:0/20:3) | 1296416.97 | 1295810.74 | |
| PE(P-18:1/20:5) | 1488987.56 | 1471071.47 | |
| PE(P-20:0) | 247866.45 | 266732.14 | |
| PE(P-40:5) | 2305790.38 | 2512077.07 | |
| Phe/Arg/Arg/Arg/Thr | 98499.29 | 95315.22 | |
| Phe/Cys/Arg | 216138.23 | 207539.76 | |
| phe-FMDP | 107821.86 | 154333.37 | |
| Phe/Ile/Lys/Lys/Lys | 385603.13 | 340763.37 | |
| Phenylalanine | 13475000.00 | 14444444.44 | |
| Phenylalanyl-Asparagine | 92821.83 | - | |
| phenyl sulfoxide | 3215864.00 | 7422440.28 | |
| Phosphocreatine | 331216.70 | 622190.44 | |
| Phosphophosphinate | 63034.52 | 96489.80 | |
| Phosphorylcholine | 15532150.50 | 20000000.00 | |
| PI(16:0/16:1) | 256339.71 | 281448.34 | |
| Pipecolic acid | 1639941.84 | 1597402.60 | |
| Pirbuterol | 1630173.50 | 1630631.68 | |
| Proclavaminic acid | 166702.79 | 33855.04 | |
| Proline | 64075000.00 | 74822222.22 | |
| Proline betaine | 11179904.41 | 17633153.44 | |
| prolinylglycine | 114249.35 | 23752.82 | |
| Prolyl-Histidine | 260247.67 | 20396.76 | |
| Propionylcarnitine | 4097842.78 | 3734957.54 | |
| PS(16:0/18:0) | 725383.57 | 687036.28 | |
| PS(20:4/22:6) | 465345.04 | 460295.75 | |
| Pseudoecgonine | 508855.58 | 333940.20 | |
| psicoselysine | 55089.83 | 50797.16 | |
| Pyridoxal | 160370.81 | 176537.34 | |
| Pyridoxine | 4136141.00 | 4929973.99 | |
| Sanguinarine | 264825.63 | 332280.05 | |
| Sedoheptulose 7-phosphate(2-) | 258343.78 | 461477.75 | |
| Selenium Sulfide | 89110.35 | 87365.12 | |
| Serine | 11700000.00 | 10539287.89 | |
| Slaframine | 5878378.38 | 5354170.64 | |
| SM C16:1 | 97276.06 | 112387.74 | |
| SM(d16:1/20:0) | 4427442.50 | 4077372.92 | |
| SM(d16:1/22:0) | 714439.70 | 691506.43 | |
| SM(d16:1/24:0) | 2956254.62 | 2656605.56 | |
| SM(d17:1/22:0) | 129932.71 | 160909.50 | |
| SM(d17:1/24:1) | 655279.05 | 834596.22 | |
| SM(d18:0/22:1) | 2617828.25 | 2923972.68 | |
| SM(d18:1/14:0) | 3229216.19 | 4986369.22 | |
| SM(d18:1/16:0) | 30325000.00 | 28066666.67 | |
| SM(d18:1/18:0) | 3614178.81 | 3282514.56 | |
| SM(d18:1/18:1) | 1308305.73 | 1256375.87 | |
| SM(d18:1/20:1) | 348712.89 | 364259.35 | |
| SM(d18:1/24:0) | 5885632.81 | 4238502.42 | |
| SM(d18:1/26:0) | 220703.19 | 189120.72 | |
| SM(d18:2/18:0) | 2982011.81 | 2714933.28 | |
| SM(d18:2/22:0) | 959417.73 | 1089742.67 | |
| SM(d18:2/22:1) | 92590.32 | 91331.86 | |
| SM(d18:2/24:0) | 9923956.25 | 7983220.94 | |
| SM(d18:2/25:0) | 170622.79 | 162715.42 | |
| SM(d42:3) | 1530726.06 | 1328539.81 | |
| sn-glycero-3-Phosphoethanolamine | 432843.52 | 461841.47 | |
| sn-glycero-3-phospho-N-(linoleoyl)ethanolamine | 380798.00 | 499451.01 | |
| sn-glycero-3-phospho-N-(palmitoyl)ethanolamine | 1358246.89 | 1579476.92 | |
| Stearoylcarnitine | 4538327.06 | 3498152.01 | |
| Succinyladenosine | 121175.63 | 196241.46 | |
| Sulfinpyrazone sulfide | 131180.67 | 128103.68 | |
| Temurin | 244084.84 | 60568.44 | |
| Theanine | 154244.32 | 283405.63 | |
| Thiamine | 390136.04 | 406528.23 | |
| Thiamine pyrophosphate | 138951.51 | 129877.42 | |
| thiomethyl glutamate | 128627.93 | 140192.98 | |
| Thr/Ala/Ala | 72173.92 | 88821.78 | |
| Thr/Ala/Pro | 251951.70 | 56488.00 | |
| Threonine | 9225144.00 | 11286868.89 | |
| Threoninyl-Alanine | 957583.23 | 818587.50 | |
| Thr/Trp/Cys | 108214.94 | 104622.40 | |
| Thr/Trp/Pro | 183593.52 | - | |
| trans-Hexadec-2-enoyl carnitine | 337187.65 | 335926.44 | |
| Triacetate lactone | 163747.22 | 157618.11 | |
| Trp/Cys/Gly | 193727.89 | 259110.14 | |
| Tryptophan | 7791273.12 | 7788895.72 | |
| Tryptophyl-Asparagine | 221259.66 | 49585.62 | |
| Tyrosine | 26900000.00 | 31577777.78 | |
| Uridine 5^-diphosphate | 747361.88 | 692681.91 | |
| Valine | 19075000.00 | 20411111.11 | |
| xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole | 531842.90 | 746160.45 |
Factors:
| F1 | cell_type:iRBC | treatment:Compound 3 |
| F2 | cell_type:iRBC | treatment:DMSO |
