Data for ST000044
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE | 112989.00 | - | 48296.00 | |
| 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | - | - | 14759.00 | |
| 13(S)-HPODE (*) | 328701.00 | 1359274.00 | - | |
| 15(S)-HETE (*) | 2128872.00 | 3048234.00 | 1208058.00 | |
| 17ALPHA-HYDROXYPROGESTERONE | 96241.00 | - | 196422.50 | |
| 17BETA-HYDROXYANDROSTAN-3-ONE | - | 461141.50 | - | |
| 1-AMINOCYCLOPROPANE-1-CARBOXYLATE | - | 36299.50 | 32961.00 | |
| 1-HYDROXY-2-NAPHTHOATE | 14798.50 | - | - | |
| 1-METHYLADENOSINE | - | - | 73684.00 | |
| 1-OLEOYL-RAC-GLYCEROL | 6533890.50 | 771803137.50 | 257101.00 | |
| 2,3-DIPHOSPHO-D-GLYCERIC ACID | - | 18411.00 | - | |
| 2`,4`-DIHYDROXYACETOPHENONE | 101955.00 | 53121.00 | 126115.50 | |
| 2,6-DIHYDROXYPYRIDINE | - | 30661.50 | - | |
| (2-AMINOETHYL)PHOSPHONATE | - | 31808.00 | - | |
| 2-AMINOPHENOL | - | 35160.00 | - | |
| 2-CARBOXY-2,3-DIHYDRO-5,6-DIHYDROXYINDOLE (*) | 1295968.00 | - | 650773.50 | |
| 2`-DEOXYADENOSINE 5`-DIPHOSPHATE | 26207.00 | - | - | |
| 2`-DEOXYADENOSINE 5`-TRIPHOSPHATE | - | 72537.00 | - | |
| 2`-DEOXYCYTIDINE 5`-DIPHOSPHATE | - | 47362.00 | 124974.00 | |
| 2`-DEOXYCYTIDINE 5`-MONOPHOSPHATE | - | 17868.00 | 71458.00 | |
| 2`-DEOXYURIDINE 5`-MONOPHOSPHATE | 12220.00 | - | 17666.00 | |
| 2`-DEOXYURIDINE 5`-TRIPHOSPHATE | - | 35888.00 | - | |
| 2-HYDROXYBUTYRIC ACID | - | 47134.00 | 26330.00 | |
| 2-HYDROXYPHENYLACETIC ACID | - | 50312.00 | - | |
| 2-HYDROXYQUINOLINE | - | 103209.00 | - | |
| 2-HYDROXYSTEARATE (*) | 242455.00 | 2257399.00 | 634199.00 | |
| 2-OXO-3-HYDROXY-4-PHOSPHOBUTANOATE (*) | 1794295.50 | 1646060.50 | 2675489.00 | |
| 2-OXOADIPATE | 64879.00 | - | 122929.50 | |
| 3-(2-HYDROXYPHENYL)PROPANOATE | - | - | 148055.00 | |
| 3,4-DIHYDROXYBENZOATE | 58791.00 | - | 26140.00 | |
| 3,4-DIHYDROXYPHENYLACETATE | - | 267596.00 | - | |
| 3,4-DIHYDROXYPHENYL GLYCOL | 36038.00 | 119299.50 | 184225.00 | |
| 3-(4-HYDROXYPHENYL)LACTATE | 354507.00 | - | 2118536.50 | |
| 3ALPHA,7ALPHA,12ALPHA,26-TETRAHYDROXY-5BETA-CHOLESTANE (*) | - | - | 21640.00 | |
| 3ALPHA-HYDROXY-5BETA-CHOLANATE | 17377.00 | - | - | |
| 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOATE | 203557.00 | 27672.00 | 219669.00 | |
| 3-DEHYDROSHIKIMATE | 20420.50 | - | 27576.00 | |
| 3-HYDROXY-3-METHYLGLUTARATE | 657842.50 | 461192.00 | 891424.50 | |
| 3-HYDROXYBENZALDEHYDE | 36831.00 | 100289.00 | 36591.00 | |
| 3-METHOXY-L-TYROSINE | - | - | 38260.00 | |
| 3-METHYL-2-OXINDOLE | 16743.00 | - | - | |
| 3-METHYL-2-OXOBUTANOIC ACID (*) | - | 10440.00 | - | |
| 3-METHYL-2-OXOVALERIC ACID | 121647.50 | 106320.50 | 92160.50 | |
| 3-METHYLADENINE | 13754.00 | - | - | |
| 3-NITRO-L-TYROSINE | - | 397490.00 | 56976.00 | |
| 3-NITROPROPANOATE | - | - | 43467.00 | |
| 3-SULFINO-L-ALANINE | 57659.00 | 84679.00 | 94695.50 | |
| 4-(2-AMINOPHENYL)-2,4-DIOXOBUTANOATE (*) | 134609.50 | 194983.00 | 256925.50 | |
| 4-ACETAMIDOBUTANOATE | 32192.00 | 371592.00 | 50454.00 | |
| 4-AMINOBENZOATE | 1914568.00 | - | 1568521.00 | |
| 4-COUMARATE | 28231.50 | 425740.00 | 77355.00 | |
| 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID | 63921.50 | 51080.00 | 96601.50 | |
| 4-HYDROXY-3-METHOXY-BENZENEMETHANOL | - | - | 15437.00 | |
| 4-HYDROXY-3-METHOXYMANDELIC ACID | - | 302560.50 | - | |
| 4-HYDROXY-3-METHOXYPHENYLGLYCOL | - | - | 16806.00 | |
| 4-HYDROXYBENZALDEHYDE | 23716.00 | - | - | |
| 4-HYDROXY-L-PHENYLGLYCINE | 13232.00 | - | - | |
| 4-METHYL-2-OXO-PENTANOIC ACID | 116768.50 | 106996.50 | 59151.00 | |
| 4-METHYL-2-OXOVALERIC ACID | 98680.00 | - | - | |
| 4-NITROPHENOL | 81879.00 | - | - | |
| 4-PYRIDOXATE | 301467.50 | 232909.00 | - | |
| 4-VINYLPHENOL SULFATE (*) | 70710.00 | 138706.00 | 136659.50 | |
| 5,6-DIHYDROURACIL | 10442471.50 | 5917851.00 | 14115982.50 | |
| 5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5`-MON... | 62208.00 | 74048.00 | 78282.00 | |
| 5-AMINOLEVULINIC ACID | 235066.00 | - | - | |
| 5-HYDROXYINDOLE-3-ACETIC ACID | - | 73431446.00 | - | |
| 5-HYDROXY-L-TRYPTOPHAN | - | 1006661.33 | 93861.00 | |
| 5-HYDROXYMETHYLURACIL | - | 187948.50 | - | |
| 5`-METHYLTHIOADENOSINE | - | 150571.50 | 113524.00 | |
| 5-OXO-PROLINE | 2466683.50 | 16252213.50 | 2705023.50 | |
| 5-PHOSPHO-ALPHA-D-RIBOSE | 33723.00 | 235547.50 | 56657.00 | |
| 6-HYDROXYNICOTINATE | - | - | 13006.00 | |
| 6-PHOSPHOGLUCONIC ACID | 90519.00 | 289849.00 | 325696.50 | |
| 7-ALPHA-HYDROXY-3-OXO-4-CHOLESTENOATE (*) | 89574.00 | - | 1047708.00 | |
| ACETYLENEDICARBOXYLATE | - | 16386.50 | - | |
| ACONITATE (*) | 1559201.00 | 610206.00 | 1026852.50 | |
| ADENINE | - | 873534.00 | 563293.50 | |
| ADENOSINE | 75694.33 | 320890.00 | 200169.00 | |
| ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE | - | 138073.00 | 27488.50 | |
| ADENOSINE 5`-DIPHOSPHATE | 82172.00 | 2683108.50 | 203853.50 | |
| ADENOSINE-5`-DIPHOSPHOGLUCOSE | 25593.00 | 1155567.00 | 52301.33 | |
| ADENOSINE 5`-MONOPHOSPHATE | 189511.00 | 9856109.67 | 260279.00 | |
| ADENOSINE 5`-TRIPHOSPHATE | - | 154993.67 | 63254.00 | |
| ADIPIC ACID | 87072.00 | - | 102466.00 | |
| ADP-RIBOSE | 137453.00 | 334825.50 | 111874.00 | |
| ALDOSTERONE | 71624.00 | - | 448089.00 | |
| ALLANTOIN | - | - | 38419.00 | |
| ALPHA-KETO-GLUTARATE | 209438.50 | 56674.50 | 219505.00 | |
| ALPHA-TOCOPHEROL (*) | 75607.00 | - | 61225.00 | |
| AMINOBUTANOIC ACID | 123578.00 | 648317.00 | 356016.00 | |
| AMINOHYDROXYBUTANOIC ACID | 830358.00 | 2873703.00 | 1405995.50 | |
| AMINOPENTANOIC ACID | 2199406.50 | 21150000.50 | 5511071.00 | |
| AMINOPROPIONIC ACID / SARCOSINE | 875868.00 | 461957.00 | 1958396.50 | |
| ANANDAMIDE | 1087846.00 | - | 238653.50 | |
| ANDROSTERONE GLUCURONIDE (*) | 84994.00 | 262374.00 | - | |
| ANDROSTERONE SULFATE (*) | 95696.00 | 1729035.50 | 365245.00 | |
| ANILINE-2-SULFONIC ACID | 43050.00 | 146544.50 | 48137.50 | |
| ARACHIDIC ACID | 37175.00 | - | - | |
| ARACHIDONATE | 7388100.50 | 1661060766.50 | 12704677.67 | |
| ARACHIDONOYLGLYCEROPHOSPHOETHANOLAMINE (*) | 988531.00 | 4438777.50 | 4310502.50 | |
| ARACHIDONOYLGLYCEROPHOSPHOINOSITOL (*) | 409804.00 | 27864148.50 | 1951384.00 | |
| ARGININE | 12885906.00 | - | - | |
| ASPARAGINE | 313168.00 | 1348749.50 | - | |
| ASPARTATE | 1063902.50 | 7632185.50 | 1964123.50 | |
| AZELAIC ACID | 431102.00 | 415017.00 | 2510965.50 | |
| B-ALANYL-N(PAI)-METHYL-L-HISTIDINE | 271855.00 | - | 63941.00 | |
| BENZOATE | 158037.50 | 17483.00 | 208223.00 | |
| BENZOIN | 26357.00 | - | - | |
| BILIVERDIN | 47828.00 | - | 181005.00 | |
| BIOTIN | - | 22256.00 | 31882.00 | |
| BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OH | 2140351.00 | 116935.00 | - | |
| BOC-ALA-OH | 865519.50 | 228898.50 | 970841.50 | |
| BOC-ASN | 39638322.00 | 21507329.00 | 53682277.25 | |
| BOC-HIS-OH | 54317.00 | - | 81616.00 | |
| BOC-MET-OH | 28470.00 | 44109.00 | - | |
| BOC-PHE-OH | 26496306.50 | 14846120.50 | 33795981.00 | |
| BOC-PRO-OH | - | 21603.00 | 25494.00 | |
| BOC-SER-OH | - | 14235795.50 | 97141.00 | |
| [C13] METHIONINE | 2559898.00 | 763567.00 | 2388543.00 | |
| [C13] PHENYLALANINE | 13917676.00 | 2886951.50 | 14397479.00 | |
| [C13] TYROSINE | 5278181.00 | - | 4919811.50 | |
| [C13] VALINE | 3400643.00 | 736609.00 | 3405318.00 | |
| CAPRYLIC ACID | 137797.50 | 556977.00 | 256835.50 | |
| CARNOSINE | 507384.50 | 1570781.00 | 335729.00 | |
| CHENODEOXYCHOLATE | 222628.50 | - | 454973.00 | |
| CHOLATE | 58668.00 | - | - | |
| CHOLESTEROL (*) | 77416.00 | 18020.00 | 47793.00 | |
| CHOLESTEROL SULFATE | 225924.00 | 66161672.50 | 1682596.50 | |
| CHOLINE PHOSPHATE | 208787.00 | 1988977.50 | 178111.50 | |
| CINNAMIC ACID | - | - | 44695.00 | |
| CINNAMOYLGLYCINE (*) | - | 38877.00 | 40691.00 | |
| CIS-7,10,13,16-DOCOSATETRAENOIC ACID | 6059542.00 | 243893840.00 | 9416223.50 | |
| CITRATE | 13377550.00 | 3970790.50 | 13173159.00 | |
| CITRULLINE | - | 37286.00 | - | |
| CORTICOSTERONE | 73443.00 | - | 608229.00 | |
| CORTISOL | 97328.00 | - | 42745.00 | |
| CORTISOL 21-ACETATE | 58661.00 | 1020378.00 | - | |
| CORTISONE | 45151.00 | 559058.00 | 84038.00 | |
| CREATINE | 776125.00 | 1351484.00 | 1689335.00 | |
| CYCLOHEPTANECARBOXYLIC ACID | 25798.00 | 43744.00 | 23948.00 | |
| CYSTATHIONINE | 204041.00 | 364865.50 | 201533.00 | |
| CYSTEIC ACID | 561996.00 | - | 326244.00 | |
| CYSTINE | 280886.00 | 452603.00 | 164891.00 | |
| CYTIDINE | 43471.50 | 2834673.50 | 55848.00 | |
| CYTIDINE 5`-DIPHOSPHATE | - | 33397.50 | - | |
| CYTIDINE 5`-DIPHOSPHOCHOLINE | 42278.00 | 69299.00 | 62953.00 | |
| CYTIDINE 5`-MONOPHOSPHATE | - | 2960858.50 | 87500.50 | |
| CYTIDINE 5`-TRIPHOSPHATE | - | 23137.00 | 19659.00 | |
| CYTOSINE | - | 57790.00 | - | |
| DECANOATE | 408253.50 | 3135645.50 | 363055.50 | |
| DEHYDROISOANDROSTERONE 3-SULFATE | 316665.00 | 572653.50 | 213297.50 | |
| DEOXYRIBOSE | 333642.00 | - | - | |
| DEOXYURIDINE | 21141.00 | 87038.00 | 89276.00 | |
| DETHIOBIOTIN | - | 2399194.00 | - | |
| D-GALACTOSAMINE | 159558.00 | 6954140.00 | 736130.00 | |
| DIETHYL 2-METHYL-3-OXOSUCCINATE | 22678.00 | - | - | |
| DIHEXOSE | 259250.50 | 80653.00 | 149509.00 | |
| DIHOMO-LINOLEATE (*) | 712337.50 | 52000826.50 | 1576554.50 | |
| DIHOMO-LINOLENATE (*) | 1040339.50 | 224225289.50 | 3294598.00 | |
| DIHYDROXYACETONE PHOSPHATE | - | - | 352280.00 | |
| DIMETHYLURATE (*) | - | 133512.50 | - | |
| DIMETHYLXANTHINE | 296703.50 | - | 1096742.00 | |
| DOCOSADIENOATE (*) | - | - | 359214.00 | |
| DOCOSAPENTAENOATE (*) | 864290.50 | 357184550.50 | 2482826.00 | |
| DODECANEDIOATE (*) | 181162.00 | - | 368994.00 | |
| DODECENOATE (*) | 140971.50 | 2627865.00 | 227092.00 | |
| EDTA | 325078.50 | 27778.00 | 207599.00 | |
| ESTRONE GLUCURONIDE (*) | 29658.00 | - | 84811.50 | |
| ETHANOLAMINE PHOSPHATE | - | 170424.00 | 128602.00 | |
| FERULATE | - | 229043.50 | 21129.00 | |
| FLAVIN ADENINE DINUCLEOTIDE | 82543.00 | 1556439.00 | 553666.50 | |
| FOLIC ACID | - | 28819.00 | - | |
| FORMYLANTHRANILATE (*) | - | 26691.50 | - | |
| FORMYL-L-METHIONINE | 179175.00 | 2433965.00 | 491711.00 | |
| FRUCTOSE 1,6-BIPHOSPHATE | 98168.50 | 430894.00 | 184693.50 | |
| FUMARIC ACID | 699425.00 | 3999800.50 | 2465481.00 | |
| GAMMA-LINOLENIC ACID | 2547513.00 | 102693457.50 | 423207.00 | |
| GLUCONIC ACID | 3230088.50 | 3693978.50 | 2239495.50 | |
| GLUCOSAMINATE | 22979.00 | - | - | |
| GLUCOSAMINE 6-PHOSPHATE | - | 21323.00 | - | |
| GLUCOSAMINE 6-SULFATE | 16058.00 | - | 31005.00 | |
| GLUCURONOLACTONE | 42917.50 | 165947.00 | 72437.00 | |
| GLUTAMIC ACID | 4831640.50 | 21908787.00 | 10834858.50 | |
| GLUTAMINE | 2777881.00 | 8000398.00 | 4054558.50 | |
| GLUTARATE | 86986.50 | - | 148711.00 | |
| GLUTATHIONE OXIDIZED | 271451.50 | - | 596254.50 | |
| GLUTATHIONE REDUCED | - | - | 69048.00 | |
| GLYCERIC ACID | 24207.00 | 129484.50 | 90462.50 | |
| GLYCEROL PHOSPHATE | 1648931.50 | 14647125.50 | 321164.00 | |
| GLYCOCHOLATE | 4595333.50 | 3865653.50 | 10045208.67 | |
| GLYCODEOXYCHOLATE / GLYCOCHENODEOXYCHOLATE (*) | 5360155.00 | 5026949.67 | 19840435.33 | |
| GLYCOLITHOCHOLIC ACID ETHYL ESTER | 50250.50 | - | 30853.00 | |
| GLYOXYLATE | 54113.00 | 196074.50 | 146054.00 | |
| GUANIDINOACETATE | - | 411451.00 | - | |
| GUANOSINE | 931231.00 | 6511134.67 | 896816.00 | |
| GUANOSINE 3`,5`-CYCLIC MONOPHOSPHATE | - | 53139.00 | - | |
| GUANOSINE 5`-DIPHOSPHATE | - | 32961.00 | 30562.00 | |
| GUANOSINE 5`-DIPHOSPHO-D-MANNOSE | - | 38663.50 | - | |
| GUANOSINE 5`-DIPHOSPHOGLUCOSE | - | - | 27123.00 | |
| GUANOSINE 5` MONOPHOSPHATE | 22449.00 | 1100868.00 | 149532.50 | |
| GUANOSINE 5`-TRIPHOSPHATE | - | 36384.00 | 11102.00 | |
| GULONIC ACID | 67044.50 | 57252.00 | 28827.00 | |
| HEPTADECANOATE | 807412.50 | 43679255.00 | 849958.50 | |
| HEPTADECENOATE (*) | 438504.50 | 19159737.00 | 220758.00 | |
| HEPTANOIC ACID | 114694.50 | 114789.50 | 87834.00 | |
| HEXACOSANOIC ACID | 46790.00 | 39359.00 | 46386.00 | |
| HEXADECANEDIOATE (*) | 166126.00 | 963642.00 | - | |
| HEXANOATE | 180966.00 | 284911.00 | 216762.50 | |
| HEXITOL | 824766.00 | 26173006.00 | 583022.00 | |
| HEXOSE | 16533047.00 | 7964816.00 | 5228453.50 | |
| HIPPURATE | 3477407.50 | 1150615.00 | 5295071.50 | |
| HYDROXYACETAMINOPHEN SULFATE (*) | 803704.50 | 35396.00 | 2171637.50 | |
| HYDROXYDECANOATE (*) | 191002.50 | 181155.00 | 329745.50 | |
| HYDROXYISOVALERATE (*) | 30490.00 | 456491.00 | 145235.00 | |
| HYPOTAURINE | - | 101375.00 | 49327.00 | |
| HYPOXANTHINE | 3152940.00 | - | 161437.00 | |
| INDICAN | 146796.50 | 196756.00 | 143709.00 | |
| INDOLE-3-ACETAMIDE | - | 24928.00 | - | |
| INDOLE-3-ACETIC ACID | - | - | 16327.00 | |
| INOSINE | 3488976.25 | 46732850.00 | 10247625.75 | |
| INOSINE 5`-DIPHOSPHATE | 27902.00 | 24064.00 | 50383.00 | |
| INOSINE 5`-MONOPHOSPHATE | 24254.00 | 65800.00 | 53261.00 | |
| KYNURENINE | 36971.00 | 158709.50 | 219530.00 | |
| LACTATE | 2616721.00 | 7873584.00 | 2544901.00 | |
| LAURIC ACID | 1438057.00 | 16780777.00 | 342315.00 | |
| LEUCENOL | 107164.00 | - | 53315.50 | |
| LEUKOTRIENE A4 (*) | 155226.00 | 4240571.50 | 189215.00 | |
| LINOLEOYLGLYCEROPHOSPHOETHANOLAMINE (*) | 494209.00 | 20525917.50 | 934971.50 | |
| LUMICHROME | 37399.00 | 830052.00 | - | |
| LYSINE | 305302.50 | 359746.50 | 347034.50 | |
| MALATE | 9442249.00 | 25328478.00 | 18703643.00 | |
| MALEIMIDE | 6957169.00 | 2041911.00 | 8165910.00 | |
| MALONATE | 61844.00 | 209760.00 | 143572.50 | |
| METHIONINE | 1577739.00 | 21136788.50 | 3985086.50 | |
| METHYL BETA-D-GALACTOSIDE | - | 659622.50 | 29207.00 | |
| METHYL INDOLE-3-ACETATE | - | 16666.00 | - | |
| METHYLMALONATE | 223956.50 | 326915.50 | 199300.00 | |
| MONO-METHYL GLUTARATE | 63386.00 | - | - | |
| MYO-INOSITOL | 2285655.00 | 5717296.17 | 2503963.00 | |
| MYRISTIC ACID | 3610040.00 | 179756800.00 | 642271.50 | |
| MYRISTOLEIC ACID | 1190109.00 | 27609120.50 | 235105.50 | |
| N2-SUCCINYL-L-GLUTAMATE (*) | 110837.50 | - | 592974.00 | |
| N-ACETYL-D-GALACTOSAMINE | 558387.50 | - | 1777617.50 | |
| N-ACETYL-D-HEXOSAMINE | 600568.50 | - | 3732118.50 | |
| N-ACETYL-DL-GLUTAMIC ACID | - | 264860.00 | - | |
| N-ACETYL-DL-METHIONINE | - | 28055239.50 | - | |
| N-ACETYL-D-TRYPTOPHAN | 41324.50 | 677301.00 | 80474.50 | |
| N-ACETYLGLYCINE | - | 370525.50 | 222439.50 | |
| N-ACETYL-L-ASPARTIC ACID | 887388.00 | 6632808.00 | 1785170.00 | |
| N-ACETYL-L-CYSTEINE | 66434.50 | 1076869.00 | 220123.00 | |
| N-ACETYL-L-LEUCINE | 62133.50 | 33931.50 | 72810.00 | |
| N-ACETYL-L-PHENYLALANINE | 78097.00 | 134799.00 | 94405.00 | |
| N-ACETYLNEURAMINATE | 658753.00 | 553400.00 | 673653.50 | |
| NADP | - | 103514.00 | - | |
| N-ALPHA-ACETYL-L-ASPARAGINE | - | 167089.00 | - | |
| N-ALPHA-ACETYL-L-LYSINE | 20858.00 | 29839.50 | 40220.50 | |
| N-BENZYLOXYCARBONYLGLYCINE | 74947.00 | 25115.50 | 153178.75 | |
| N-BOC-D-GLUCOSAMINE | - | 56078.50 | - | |
| N-CYCLOHEXYLSULFAMIC ACID | - | - | 19101.00 | |
| N-ETHYLMALEIMIDE | 43997.50 | 265895.50 | 67934.00 | |
| NICOTINAMIDE | 105530.00 | 3288289.00 | 365389.00 | |
| NICOTINAMIDE ADENINE DINUCLEOTIDE | 92597.67 | 16777719.50 | 585497.00 | |
| N-METHYLTRYPTAMINE | - | - | 85126.00 | |
| N,N`-DIACETYL-CYSTINE | 27410.00 | 2249850.50 | 141168.00 | |
| N-OLEOYLGLYCINE | - | 1218523.50 | - | |
| NONADECANOATE / METHYLSTEARATE (*) | 104386.00 | 4219287.50 | 306420.00 | |
| NONADECENOATE (*) | 230029.50 | 10444099.00 | 227048.50 | |
| NONANOATE | 1524450.50 | 1384486.00 | 1392568.00 | |
| N(PAI)-METHYL-L-HISTIDINE | - | 57748.00 | 82070.00 | |
| N(PAI)-METHYL-L-HISTIDINE (*) | 87027.00 | - | 81768.00 | |
| O-ACETYL-L-CARNITINE | 16436.00 | 24585.00 | - | |
| O-ACETYL-L-SERINE | - | 124038.50 | - | |
| OCTADECANEDIOATE (*) | 323985.00 | 920334.50 | 373041.50 | |
| OLEATE | 59401.50 | 39357.00 | 28036.00 | |
| OLEOYLGLYCEROPHOSPHOETHANOLAMINE (*) | 1016907.00 | 296530698.50 | 5781710.00 | |
| O-PHOSPHO-DL-SERINE | - | 678358.50 | 41487.00 | |
| O-PHOSPHO-L-SERINE | - | 233051.00 | - | |
| O-PHOSPHONOHEXOPYRANOSE | 455277.67 | 833003.00 | 1845317.67 | |
| OPHTHALMIC ACID | 146899.50 | 1339783.00 | 442019.50 | |
| ORNITHINE | 53474.50 | 125999.00 | 51703.00 | |
| OROTATE | 28054.50 | 364050.00 | - | |
| OROTIDINE 5`-MONOPHOSPHATE | - | - | 82196.50 | |
| O-SUCCINYL-L-HOMOSERINE | 33931.00 | - | 276326.50 | |
| OXALATE | 132152.00 | 352201.00 | 206987.00 | |
| OXALOMALIC ACID | 160305.00 | 238688.50 | 708628.00 | |
| OXALOSUCCINATE (*) | 61159.00 | - | - | |
| OXOMALONATE | 24248.00 | 407954.00 | 364690.00 | |
| P-ACETAMIDOPHENYLGLUCURONIDE (*) | 1374649.00 | 26146.00 | 3271148.50 | |
| PALMITATE | 38632.00 | 26605.00 | - | |
| PALMITOLEATE (*) | 9012145.00 | 401099513.50 | 605526.00 | |
| PALMITOLEIC ACID | 9038839.50 | 401561522.00 | 737504.00 | |
| PALMITOYLGLYCEROPHOSPHOETHANOLAMINE / PALMITOYLPLASMENYLETHA... | 2647382.00 | 163519856.00 | 5372026.50 | |
| PALMITOYLGLYCEROPHOSPHOINOSITOL (*) | 468579.00 | 198866081.00 | 1034933.00 | |
| PANTOTHENIC ACID | 921633.50 | 34635182.00 | 4884605.25 | |
| PARAOXON-METHYL | - | 144235.00 | - | |
| PENTITOL | 2086368.00 | 163914.00 | 1717964.50 | |
| PETROSELINIC ACID | 103053.00 | - | 90123.00 | |
| PHENYLACETALDEHYDE | 22543.00 | 88023.00 | 12474.00 | |
| PHENYLACETATE (*) | 269075.50 | 531516.00 | 324095.00 | |
| PHENYLALANINE | 5781491.50 | 81726357.00 | 14131276.00 | |
| PHENYLPYRUVATE | 14919.00 | - | 75141.00 | |
| PHOSPHATE | - | 3166379.67 | 135892.00 | |
| PHOSPHOCREATINE | 54562.00 | - | 111002.00 | |
| PHOSPHO(ENOL)PYRUVIC ACID | 593290.75 | 38171.50 | 676218.25 | |
| PHOSPHOETHANOLAMINE | 925583.50 | 4401995.00 | 3087161.50 | |
| PHOSPHOGLYCERIC ACID | 495683.67 | 218920.00 | 1201132.00 | |
| PHOSPHONOACETATE | - | 41498.50 | 108034.00 | |
| PHTHALATE | 71639.00 | - | 38165.00 | |
| PHYTIC ACID | 15429.00 | - | 26879.00 | |
| PIMELIC ACID | 178612.00 | - | - | |
| PREGNENOLONE | - | 766211.00 | - | |
| PREGN STEROID MONOSULFATE (*) | 222301.50 | 465962.00 | 219229.00 | |
| PROLINE | 934002.00 | 3383188.00 | 2704908.00 | |
| PROSTAGLANDIN B1 (*) | 842711.00 | 781830.00 | - | |
| PROSTAGLANDIN E1 (*) | 182938.00 | 6628392.00 | 102418.00 | |
| PROSTAGLANDIN E3 (*) | 135755.00 | 1906921.00 | 277528.00 | |
| PROSTAGLANDIN F2 ALPHA (*) | 156600.00 | 5914096.50 | - | |
| PROSTAGLANDIN G2 (*) | - | 2582541.50 | - | |
| PROSTAGLANDIN H2 (*) | 43504.00 | 358573.00 | 204582.00 | |
| PROTOPORPHYRIN | - | 78509.50 | - | |
| PTERIN | - | - | 15429.00 | |
| PYRIDINE-2,3-DICARBOXYLATE | 171769.50 | 19100.00 | 712710.50 | |
| PYRIDINE CARBOXYLIC ACID | - | 47114.50 | - | |
| PYRIDOXAL | - | 17419.00 | - | |
| PYRIDOXINE | - | 44799.00 | 66987.00 | |
| PYRUVATE | 168145.75 | 392216.00 | 340843.33 | |
| QUINATE | 289811.00 | - | 111800.50 | |
| RAC-GLYCEROL 1-MYRISTATE | 729479.00 | 117741706.50 | 31029.50 | |
| RAFFINOSE | 92337.67 | 416207.25 | 73597.50 | |
| RETINOATE | 136698.00 | 41876.00 | 125648.00 | |
| RIBITOL | 20966444.00 | 2170254.50 | 103964348.00 | |
| RIBOSE 5-PHOSPHATE | 297289.00 | 377006.33 | 771876.33 | |
| RIBULOSE 1,5-BISPHOSPHATE | 11715.00 | - | 17615.00 | |
| S-ADENOSYL-L-HOMOCYSTEINE | 796275.50 | 5001698.50 | 4399936.00 | |
| SALICYLAMIDE | - | - | 24559.00 | |
| SALICYLIC ACID | 956338.00 | - | 943381.00 | |
| SALICYLIC ACID (*) | 956594.00 | - | 944977.00 | |
| SALICYLURIC GLUCURONIDE (*) | 180709.00 | 174008.00 | 336587.00 | |
| S-CARBOXYMETHYL-L-CYSTEINE | 177623.50 | 110961.00 | 513035.50 | |
| (S)-DIHYDROOROTATE | - | 48019.00 | 74200.00 | |
| SELENOMETHIONINE | 325333.00 | 14012.00 | 585815.50 | |
| SERINE | 153418.50 | 949020.00 | 231858.00 | |
| S-HEXYL-GLUTATHIONE | 16514.00 | - | 21406.00 | |
| SHIKIMATE | - | - | 241994.00 | |
| (S)-LACTATE | 1061017.00 | 5093283.50 | 2797622.00 | |
| SN-GLYCERO-3-PHOSPHOCHOLINE | 599686.50 | 2294162.50 | 43736.00 | |
| SPHINGANINE | - | 23251.00 | - | |
| STACHYOSE | 178673.50 | 787444.00 | 159033.00 | |
| STEARIDONATE (*) | - | 1753375.50 | 21238.00 | |
| STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*) | 837536.75 | 435323794.67 | 10923726.00 | |
| SUBERIC ACID | 57018.00 | - | - | |
| SUCCINATE | 1304610.00 | 2117328.00 | 1161283.00 | |
| TARTARIC ACID | - | - | 56940.00 | |
| TAURINE | 6068090.50 | 3244257.67 | 12655921.67 | |
| TAUROCHENODEOXYCHOLATE (*) | 2602269.00 | 3492691.50 | 7380513.00 | |
| TAUROCHOLATE (*) | 1869682.50 | 2911444.00 | 5403739.00 | |
| TAUROLITHOCHOLATE | 46267.00 | - | 37161.00 | |
| TESTOSTERONE | 186768.00 | - | - | |
| TETRAHYDROFOLATE | 24911.00 | 76499.00 | 28368.00 | |
| THIAMINE | 59076.00 | 821282.00 | 141644.00 | |
| THIAMINE MONOPHOSPHATE | - | 21132.00 | - | |
| THIAMINE PYROPHOSPHATE | - | 273762.00 | 20952.00 | |
| THREONATE (*) | 8821606.00 | 47200373.33 | 15425567.50 | |
| THYMIDINE | 31767.00 | - | 46147.50 | |
| THYMIDINE-5`-DIPHOSPHO-ALPHA-D-GLUCOSE | - | - | 26081.50 | |
| THYMIDINE 5`-MONOPHOSPHATE | - | - | 14656.00 | |
| THYMINE | - | - | 12808.00 | |
| THYROTROPIN RELEASING HORMONE | 106581.00 | 1897485.50 | 33100.00 | |
| THYROXINE | - | 29066.00 | - | |
| TRICOSANOIC ACID | - | 152287.00 | 126748.00 | |
| TRIDECANOIC ACID | 140539.50 | 929148.00 | 72091.00 | |
| TRYPTOPHAN (*) | 1935157.50 | 112472931.00 | 4485453.00 | |
| TRYPTOPHANAMIDE | 174784.00 | - | 186260.00 | |
| URACIL | 521350.00 | 5064139.00 | 2508167.50 | |
| URATE | 2822543.00 | 2207020.67 | 2485092.33 | |
| URIDINE | 4352348.40 | 19084317.30 | 8069558.10 | |
| URIDINE 5`-DIPHOSPHATE | 168328.00 | 168001.50 | 15209.00 | |
| URIDINE 5`-DIPHOSPHOGLUCOSE | 27055.00 | 181320.50 | 37373.00 | |
| URIDINE 5`-DIPHOSPHOGLUCURONIC ACID | 24499.50 | 331490.00 | 71094.33 | |
| URIDINE 5`-DIPHOSPHO-N-ACETYLGLUCOSAMINE | 138111.00 | 2360462.50 | 185314.00 | |
| URIDINE-5-MONOPHOSPHATE | 25683.50 | 294387.00 | 240663.00 | |
| URIDINE 5`-TRIPHOSPHATE | - | 21360.00 | - | |
| UROCANATE | 215242.00 | 3124393.50 | - | |
| XANTHINE | 10017935.50 | 30583381.00 | 16739489.00 | |
| XANTHOSINE | 23295.00 | 419078.00 | 505177.50 | |
| XANTHOSINE 5`-MONOPHOSPHATE | 30601.00 | 228175.00 | 61946.00 |
Factors:
| F1 | Pancreas tissue type:Normal area of the pancreas with tumor |
| F2 | Pancreas tissue type:Normal pancreas |
| F3 | Pancreas tissue type:Pancreas tumor |
