Data for ST000044
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 10-HYDROXYDECANOATE | 555842.75 | 241803.50 | 311759.40 | |
| 11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE | 1011517.00 | - | 1340891.00 | |
| 11-DEHYDROCORTICOSTERONE (*) | 42666.50 | - | - | |
| 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | 26956.00 | - | - | |
| 1,2-DIPALMITOYL-SN-GLYCEROL | - | 49690.00 | - | |
| 12-HYDROXY-DODECANOIC ACID | 1997533.50 | 1539385.00 | 1944633.25 | |
| [13C]-ARGININE | 2958078.50 | 100085.00 | 1696084.50 | |
| [13C]-ASPARTIC ACID | 976472.00 | 224622.50 | 1014240.00 | |
| [13C]-GLUTAMATE | 1942423.50 | 32969.00 | 1105854.50 | |
| [13C]-HISTIDINE | - | - | 53665.00 | |
| [13C]-ISOLEUCINE | 224736558.00 | 26447122.00 | 218062169.50 | |
| [13C]-LEUCINE | 223591423.00 | 25605862.50 | 216760130.00 | |
| [13C]-LYSINE | 846919.00 | 139341.00 | 520124.50 | |
| [13C]-METHIONINE | 16155182.00 | 3069856.00 | 20207551.00 | |
| [13C]-PHENYLALANINE | 144181536.00 | 19473270.00 | 144544727.50 | |
| [13C]-PROLINE | 7454892.50 | 296924.00 | 5300797.50 | |
| [13C]-THREONINE | 770092.00 | 21145.00 | 441022.50 | |
| [13C]-TYROSINE | 35381527.00 | 2343422.50 | 31745285.50 | |
| [13C]-VALINE | 44924658.50 | 3307068.00 | 37490144.00 | |
| 1-METHYLADENOSINE | - | 308757.00 | 19563.00 | |
| 1-METHYLNICOTINAMIDE | 527001.00 | 193387.50 | 663359.00 | |
| 1-NAPHTHYLAMINE | - | - | 85133.00 | |
| 1-OLEOYL-RAC-GLYCEROL | 21617306.50 | 78400830.00 | 2910641.50 | |
| 2`,4`-DIHYDROXYACETOPHENONE | 380721.50 | - | 312600.00 | |
| 25-HYDROXYCHOLESTEROL | - | 25708.00 | - | |
| 2,6-DIHYDROXYPYRIDINE | 74748.50 | - | 106455.00 | |
| 2-AMINO-2-DEOXYHEXOPYRANOSE | 48799.00 | 33975.00 | 63157.00 | |
| 2-AMINOPHENOL | 129724.00 | - | - | |
| 2`-DEOXYADENOSINE | 55627.50 | 35910.00 | 338044.67 | |
| 2`-DEOXYADENOSINE 5`-MONOPHOSPHATE | - | 66706.00 | - | |
| 2`-DEOXYCYTIDINE | 301207.33 | 8082906.00 | 726846.50 | |
| 2`-DEOXYCYTIDINE 5`-DIPHOSPHATE | - | 60688.00 | - | |
| 2-DEOXY-D-GLUCOSE | 106723.50 | 80566.50 | 336277.00 | |
| 2-DEOXY-GLUCOSE / 6-DEOXY-GALACTOSE | - | 88304.00 | - | |
| 2`-DEOXYGUANOSINE | 2518396.50 | 11873674.00 | 3822654.50 | |
| 2`-DEOXYGUANOSINE 5`-DIPHOSPHATE | 12819.00 | 69564.00 | 63926.00 | |
| 2`-DEOXYGUANOSINE 5`-MONOPHOSPHATE | 174401.50 | 7198277.00 | 1550214.50 | |
| 2-HYDROXYBUTYRIC ACID | 296772.33 | - | 236260.43 | |
| 2-HYDROXYPHENYLACETIC ACID | 384870.50 | - | 291750.00 | |
| 2-METHYLGLUTARIC ACID | 224380.00 | - | 321820.00 | |
| 2-METHYLMALEATE | 44974.00 | - | 30581.00 | |
| 2-OXOADIPATE | - | 94308.00 | - | |
| 2-QUINOLINECARBOXYLIC ACID | - | - | 86658.50 | |
| 3-(2-HYDROXYPHENYL)PROPANOATE | 31359.00 | - | 60689.00 | |
| 3,3`,5-TRIIODO-L-THYRONINE | - | 20450.00 | 23651.00 | |
| 3,3`-DITHIODIVALINE | - | - | 48771.00 | |
| 3,4-DIHYDROXYBENZOATE | 158503.33 | - | 169670.00 | |
| 3,4-DIHYDROXY-L-PHENYLALANINE | 50442.00 | 38477.00 | 71915.67 | |
| 3,4-DIHYDROXYMANDELIC ACID | - | - | 339068.00 | |
| 3,4-DIHYDROXYPHENYLACETATE | - | - | 27001.00 | |
| 3-(4-HYDROXYPHENYL)LACTATE | - | - | 146667.00 | |
| 3,5-DIIODO-L-THYRONINE | 31852.00 | - | 26831.00 | |
| 3ALPHA-HYDROXY-5BETA-CHOLANATE | 58706.00 | - | 356884.00 | |
| 3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE | - | 105673.00 | 96914.00 | |
| 3`-CMP | 484122.33 | 5966521.00 | 879433.25 | |
| 3-(CYSTEIN-S-YL)ACETAMINOPHEN (*) | - | - | 101525.00 | |
| 3-DEHYDROSHIKIMATE | - | - | 44404.00 | |
| 3-HYDROXY-3-METHYLGLUTARATE | - | - | 39063.00 | |
| 3-HYDROXY-DL-KYNURENINE | 25975.00 | 65688.00 | 89748.00 | |
| 3-METHOXY-L-TYROSINE | 18655.00 | - | 102965.00 | |
| 3-METHYLADENINE | 22133.00 | - | - | |
| 3-METHYLHISTAMINE | 68093.00 | 656693.00 | 260348.50 | |
| 3-NITRO-L-TYROSINE | 15431.00 | - | - | |
| 3-UREIDOPROPIONIC ACID | 508818.00 | 238575.00 | 1069259.00 | |
| 4-ACETAMIDOBUTANOATE | 51451.33 | 44242.00 | 165399.83 | |
| 4-AMINOBENZOYLGLUTAMIC ACID | - | - | 23506.00 | |
| 4-AMINOBUTANOATE | 70191.00 | - | - | |
| 4-COUMARATE | - | - | 39337.00 | |
| 4-GUANIDINOBUTANOIC ACID | 58316.00 | - | 35024.00 | |
| 4-HYDROXY-3-METHOXY-BENZENEMETHANOL | 75764.00 | - | 67536.00 | |
| 4-HYDROXY-3-METHOXYMANDELIC | - | 57435.00 | - | |
| 4-HYDROXY-3-METHOXYMANDELIC ACID | - | 44381.00 | - | |
| 4-HYDROXY-3-METHOXYPHENYLGLYCOL | 23216.00 | - | 20575.00 | |
| 4-HYDROXYBENZALDEHYDE | 20475.00 | - | 28485.00 | |
| 4-IMIDAZOLEACETIC ACID | - | 16354.00 | - | |
| 4-METHYL-2-OXOPENTANOATE | 394702.00 | - | 257945.00 | |
| 4-METHYLCATECHOL | 128927.00 | - | 40853.00 | |
| 4-QUINOLINECARBOXYLIC ACID | - | 323603.50 | - | |
| 5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5`-MON... | - | 62806.00 | - | |
| 5-Aminoimidazole ribotide (*) | 1652051.00 | 40821777.00 | 4828326.50 | |
| 5-AMINOLEVULINIC ACID | 770007.00 | - | - | |
| 5`-DEOXYADENOSINE | 124754.50 | 4511020.00 | 403135.60 | |
| 5-HYDROXY-L-TRYPTOPHAN | 62600.33 | 1805038.67 | 350630.00 | |
| 5-HYDROXYMETHYLURACIL | 21567.50 | - | - | |
| 5-HYDROXYPENTANOIC ACID | 124091.00 | - | 151842.00 | |
| 5`-METHYLTHIOADENOSINE | 68616.00 | 1206957.50 | 927551.00 | |
| 5-OXO-PROLINE | 74177.50 | - | - | |
| 5-VALEROLACTONE | - | - | 21538.00 | |
| 6,7-DIHYDROBIOPTERIN | - | 995685.50 | 46562.50 | |
| 6-HYDROXYDOPAMINE | - | - | 49265.50 | |
| 6-HYDROXYNICOTINATE | 34982.00 | 38523.50 | 33346.00 | |
| 6-PHOSPHOGLUCONIC ACID | 63311.00 | - | - | |
| ACETYLCHOLINE | 1557489.50 | 6751070.50 | 2741670.50 | |
| ADENINE | 113399.00 | 1230551.00 | 272909.00 | |
| ADENOSINE | 1353626.50 | 44143407.75 | 6971036.12 | |
| ADENOSINE 2`,3`-CYCLIC MONOPHOSPHATE | - | 266178.00 | - | |
| ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE | 39528.00 | 145125.50 | 73302.50 | |
| ADENOSINE 5`-MONOPHOSPHATE | 604352.00 | 54344620.50 | 1601647.00 | |
| ADENOSINE 5`-MONOPHOSPHATE (*) | 64558.00 | 993674.50 | 104780.00 | |
| ADENOSINE DIPHOSPHATE | 48406.00 | 323533.50 | - | |
| ALANINE | 557482.00 | 3944627.50 | 953561.00 | |
| ALLANTOIN | - | 15151.00 | 16987.00 | |
| ALPHA-KETO-GLUTARATE | - | 69163.75 | - | |
| ALPHA-LIPOAMIDE | 50780.00 | - | 56674.00 | |
| ALPHA-TOCOPHEROL | 883964.00 | 67027.00 | 848973.00 | |
| AMINOHYDROXYBENZOIC ACID | - | 141850.00 | - | |
| AMINOHYDROXYBUTANOIC ACID | 193421.00 | 59241.00 | 320308.00 | |
| ANANDAMIDE | - | - | 181193.00 | |
| ANTHRANILATE | 82784.50 | - | 83399.00 | |
| ARG-VAL-TRP | 1607321.50 | 351248.00 | 1924032.00 | |
| ASCORBATE | 138704.00 | 252568.75 | 81879.00 | |
| ASCORBATE (-H) | 34011.00 | 127495.00 | 96970.00 | |
| ASPARAGINE | 91029.25 | 45493.50 | 155966.00 | |
| ASPARTATE | 226432.33 | - | 119391.50 | |
| AZELAIC ACID | 880212.80 | 813023.50 | 3634641.00 | |
| B-ALANYL-N(PAI)-METHYL-L-HISTIDINE | - | 32596.00 | - | |
| BENZENEDICARBOXYLIC ACID | 10494.00 | - | - | |
| BETAINE | 28916.00 | - | 60484.50 | |
| BILIVERDIN | 67816.50 | 146252.00 | 178688.00 | |
| BIOPTERIN | - | 158553.00 | 29597.00 | |
| BIOTIN | - | 28398.00 | 64298.00 | |
| BIS(2-ETHYLHEXYL)PHTHALATE | 2820769.12 | 2751480.00 | 2517005.17 | |
| BISPHOSPHOGLYCERATE | 18594.00 | - | - | |
| BOC-ALA-OH | 24068941.75 | 4514897.00 | 23043261.75 | |
| BOC-ASN | 20927512.50 | - | 23301092.17 | |
| BOC-ASP-OH | 1492318.50 | - | 1294416.60 | |
| BOC-GLY-OH | 96656.00 | - | - | |
| BOC-HIS-OH | 24138.50 | - | 40707.33 | |
| BOC-PHE-OH | 29964191.50 | 13460532.50 | 32234570.50 | |
| BOC-PRO-OH | 76350.00 | - | - | |
| BOC-SER-OH | 175083.50 | 214806.00 | 274977.50 | |
| BRADYKININ (*) | 98747.50 | 736245.00 | 177766.00 | |
| BRADYKININ DES-ARG(9) (*) | 70341.40 | - | 260998.67 | |
| BRADYKININ HYDROXY-PRO(3) (*) | 30743.00 | 1280378.50 | 430296.00 | |
| CADAVERINE | 87184.00 | 60704.33 | - | |
| CALCITRIOL (*) | 24165.00 | - | - | |
| CAPECITABINE | 55709.50 | - | 57816.50 | |
| CARNITINE | 6896364.00 | 16684016.00 | 10728232.50 | |
| CARNOSINE | - | 99788.00 | 49062.00 | |
| CERAMIDE PHOSPHOCHOLINE (*) | 1023357.80 | 20229362.57 | 6248811.00 | |
| CHOLESTA-5,7-DIEN-3BETA-OL | 18537.00 | - | 26553.50 | |
| CHOLESTEROL | 191363.50 | 62901.50 | 118011.50 | |
| CHOLESTEROL (-H20) | 95095.00 | 143391.50 | 202076.00 | |
| CHOLIC ACID | 216973.00 | - | - | |
| CHOLINE | 1491204.50 | 13947532.00 | 3596132.00 | |
| CINNAMOYLGLYCINE (*) | 1326774.00 | - | 1358110.50 | |
| CITRAMALATE | 43892.33 | 29568.00 | 100534.00 | |
| CITRATE | 117765.25 | 53750.67 | 378534.50 | |
| CITRULLINE | 137551.67 | - | 91459.00 | |
| COENZYME A | 4983009.00 | - | 5412101.00 | |
| CORTICOSTERONE | 200709.00 | 308216.50 | 564343.00 | |
| CORTISOL | 636360.00 | 231308.00 | 664956.50 | |
| CORTISOL 21-ACETATE | 164814.50 | 473903.50 | - | |
| CORTISONE | 603394.33 | - | 419807.50 | |
| COTININE (*) | - | 27230.00 | - | |
| CREATINE | 16836259.00 | 112561187.50 | 24698537.00 | |
| CREATININE | 1035816.00 | 3250824.00 | 606668.33 | |
| CREATININE FROM COMPLEX | - | 128844.00 | 26018.00 | |
| CYCLOHEXANE-1,3-DIONE | 33426.00 | - | 73953.50 | |
| CYSTEIC ACID | 83139.00 | - | - | |
| CYSTEINE | - | 37966.50 | - | |
| CYSTINE | 76446.00 | 56788.00 | 69075.00 | |
| CYTIDINE | 122128.50 | 5092307.50 | 163502.50 | |
| CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP) | - | 176830.75 | 55723.00 | |
| CYTIDINE 5`-DIPHOSPHATE | 26919.00 | 40154.00 | 20410.00 | |
| CYTIDINE 5`-DIPHOSPHOCHOLINE | 52338.00 | 349458.00 | 585108.50 | |
| CYTIDINE 5`-MONOPHOSPHATE | 690405.00 | 8067456.50 | 1730388.00 | |
| CYTOSINE | 21008.00 | - | 143461.50 | |
| DEHYDROASCORBATE | 33523.00 | 124031.00 | 95024.00 | |
| DEOXYCARNITINE | - | 30086.00 | - | |
| DEOXYCHOLATE | 12035401.00 | 277646.00 | 2817308.00 | |
| DEOXYCORTICOSTERONE | 258523.50 | 61023.00 | 282840.00 | |
| DEOXYRIBOSE | 137697.00 | - | 89567.00 | |
| DEOXYURIDINE | 40821.00 | 241215.00 | 31699.50 | |
| DESMOSTEROL | 51269.00 | 37411.00 | 77280.00 | |
| DETHIOBIOTIN | - | 1856252.67 | - | |
| D-GLUCONO-1,5-LACTONE | - | - | 26351.00 | |
| DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY) | 89878.00 | 132658.00 | - | |
| DIACYLGLYCEROPHOSPHOGLYCEROL (POSSIBLY) | - | - | 987293.00 | |
| DIACYL-PHOSPHATIDYLCHOLINE | - | 2194168.50 | - | |
| DIETHANOLAMINE | - | - | 38020.00 | |
| DIETHYL AMINOMALONATE | 21015.00 | 56788.50 | 24592.00 | |
| DIHEXOSE | 1025596.00 | - | 436519.00 | |
| DIHYDROOROTATE | - | 26227.25 | 79672.50 | |
| DIHYDROXYACETONE PHOSPHATE | - | - | 37993.00 | |
| DIHYDROXYBENZOIC ACID | 40188.00 | - | 21769.00 | |
| DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY) | 2750287.50 | 1073444.00 | 779291.50 | |
| DIMETHYLARGININE (*) | 1116035.00 | 2177818.33 | 1988797.00 | |
| DIMETHYLBENZIMIDAZOLE | 15355.00 | - | - | |
| DIMETHYL MALEATE | 12344.50 | - | 44647.00 | |
| DIMETHYLXANTHINE | 530226.00 | - | 265476.25 | |
| DIOLEOYLPHOSPHATIDYLCHOLINE | 83251366.00 | 17513485.00 | 35650352.50 | |
| DIPALMITOYLGLYCEROL (*) | 48661373.50 | 2780560.00 | 10516135.00 | |
| DI-TERT-BUTYL DICARBONATE | 36746.00 | - | 25243.00 | |
| DOCOSAHEXAENOIC ACID | 68261.00 | 137126.00 | 182113.38 | |
| DOPAMINE | - | 104051.00 | - | |
| EDTA | 30456.00 | - | 96079.50 | |
| EDTA (*) | 41511.00 | - | 198005.00 | |
| ENKEPHALINE, (D-ALA)2-LEU | 293575.50 | - | 278169.00 | |
| EPINEPHRINE | - | 72434.00 | - | |
| ERYTHRITOL | 291909.00 | - | 62861.00 | |
| ESTRADIOL 17 ALPHA | - | 306066.00 | 254904.00 | |
| ESTRIOL (*) | 6352580.50 | 2907625.00 | 2298693.50 | |
| ESTRONE | 549777.50 | 57546.00 | 683180.00 | |
| ETHYL 3-INDOLE ACETATE | 15760.00 | 22620.50 | 28121.00 | |
| ETHYL 4-OXOCYCLOHEXANECARBOXYLATE | 722843.00 | - | 586664.00 | |
| ETHYLMALONIC ACID | 218291.50 | - | 168123.50 | |
| FERULATE | 228454.33 | - | 296284.00 | |
| FLAVIN ADENINE DINUCLEOTIDE | 52142.00 | 155374.50 | - | |
| FORMYL-L-METHIONINE | 65796.00 | - | 58444.50 | |
| FRUCTOSE 1,6-BIPHOSPHATE | 45027.00 | 15530.00 | 52701.50 | |
| GAMMA-BUTYROLACTONE | 42702.00 | 38576.00 | - | |
| GDP-GLUCOSE | - | 31444.00 | - | |
| GLUCARIC/GULARIC/SACCHARIC ACID | 202154.00 | - | 215340.00 | |
| GLUCOSAMINE 6-PHOSPHATE | - | 133069.00 | 131451.00 | |
| GLUCOSAMINE 6-SULFATE | - | 39258.00 | 20514.00 | |
| GLUCOSE-6-PHOSPHATE | 53368.00 | 39208.50 | 269842.00 | |
| GLUTAMINE | 1089577.00 | 610304.00 | 977198.20 | |
| GLUTARATE | 56175.50 | - | 54503.50 | |
| GLUTATHIONE | 21238171.50 | 70542.67 | 68133561.75 | |
| GLUTATHIONE OXIDIZED | 7353696.50 | - | 48523726.00 | |
| GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETAL | - | - | 40537.00 | |
| GLYCERIC ACID | 30811.00 | - | 37699.50 | |
| GLYCEROL PHOSPHATE | 595687.50 | 205800.50 | - | |
| GLYCEROPHOSPHOCHOLINE (*) | - | - | 108397.50 | |
| GLYCINE | 49543.00 | 217570.50 | - | |
| GLYCOCHOLATE | 579749.17 | 635988.40 | 1399236.57 | |
| GLYCOLITHOCHOLIC ACID ETHYL ESTER | 20356.00 | 59319.50 | 91713.00 | |
| GTP | - | - | 36151.00 | |
| GUANINE | 1769899.50 | - | 2005391.50 | |
| GUANOSINE | 5192228.00 | 25105508.00 | 6038055.00 | |
| GUANOSINE 3`,5`-CYCLIC MONOPHOSPHATE | 175585.00 | 21672.50 | - | |
| GUANOSINE 5`-DIPHOSPHATE | - | - | 26015.00 | |
| GUANOSINE 5` MONOPHOSPHATE | - | 3583760.50 | - | |
| GULONO-1,4-LACTONE | - | 19611.00 | - | |
| HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*) | 89409.33 | 5478475.00 | 41848.00 | |
| HEXITOL | - | 1267405.50 | 399528.00 | |
| HEXOSE | 24868773.50 | 1098745.00 | 4476802.00 | |
| HEXOSE (M+K) | 8030076.50 | 4435858.00 | 3596416.00 | |
| HIPPURATE | 372628.50 | - | 658223.67 | |
| HISTAMINE | 1163285.50 | 695544.00 | 598684.50 | |
| HISTIDINE | 1295422.00 | 40295057.00 | 552205.00 | |
| HISTIDINOL | - | 23636.00 | - | |
| HOMOCYSTEINE | 441697.50 | 334712.00 | 646974.00 | |
| HOMOCYSTINE | - | 45179.00 | - | |
| HOMOGENTISATE | - | 25149.00 | - | |
| HOMOSERINE | 26517.00 | - | - | |
| HOMOVANILLATE | 136623.75 | - | 321753.25 | |
| HYDROXYBENZALDEHYDE | 22896.00 | - | 28760.00 | |
| HYPOXANTHINE | 11559492.42 | 48042564.50 | 30811102.00 | |
| INDOLE-3-ACETAMIDE | 92808.00 | - | 54381.00 | |
| INDOLE-3-ACETIC ACID | 70993.33 | 13515.00 | 195353.33 | |
| INDOLEPYRUVATE (*) | 513199.67 | 1224969.50 | 839805.25 | |
| INDOXYL | 36039.00 | - | 27816.00 | |
| INOSINE | 13154461.88 | 32647630.19 | 23680871.20 | |
| INOSINE 5`-MONOPHOSPHATE | - | 109626.00 | - | |
| ISOCITRIC ACID | 49135.50 | - | 103621.00 | |
| ISOLEUCINE | 9245097.00 | 327606434.00 | 21908672.00 | |
| KYNURENINE | 469549.50 | 1197211.00 | 2427739.50 | |
| LAUROYLCARNITINE | 97261.00 | 2804442.50 | 701356.50 | |
| LEUCENOL | - | - | 23335.00 | |
| LEUCINE | 78212148.50 | 1085585326.50 | 241830980.50 | |
| LINOLEOYLGLYCEROPHOSPHOCHOLINE (*) | 833153.44 | 10151266.92 | 1220015.50 | |
| LL-2,6-DIAMINOHEPTANEDIOATE | - | 28694.00 | 17944.00 | |
| L-LEUCYL-L-LEUCINE (*) | 128413.00 | 130201.00 | 133723.50 | |
| LUMICHROME | 753401.00 | 850520.00 | 126891.50 | |
| LYSINE | 785214.50 | 5100604.00 | 921537.50 | |
| MALATE | 937046.50 | 110186.00 | 2204947.00 | |
| MALEAMATE | - | 208150.50 | 29024.00 | |
| MANNOSE-6-PHOSPHATE | 65540.00 | 60539.00 | 108235.00 | |
| MELATONIN | - | - | 107679.00 | |
| METHIONINE | 5636500.67 | 42327033.00 | 14261251.83 | |
| METHYL ACETOACETATE | 196508.33 | - | 17433.00 | |
| METHYL BETA-D-GALACTOSIDE | 27044.00 | 245870.00 | 95426.00 | |
| METHYLGUANIDINE | 26872.00 | - | - | |
| METHYLIMIDAZOLEACETIC ACID (*) | 90217.00 | 177989.50 | 152773.00 | |
| METHYL JASMONATE | 7678422.38 | 2398802.62 | 7036367.50 | |
| METHYLMALONATE | 644848.50 | - | - | |
| METHYL PARABEN | 380402.00 | - | 306362.50 | |
| METHYL VANILLATE | 351497.00 | - | 290494.00 | |
| MEVALOLACTONE | 28376.00 | - | - | |
| MONO-METHYL GLUTARATE | - | 327100.00 | 24947.00 | |
| MYRISTOYLGLYCEROPHOSPHOCHOLINE (*) | 97359.38 | 15903626.92 | 215227.25 | |
| N1-ACETYLSPERMINE | - | 21271.00 | - | |
| N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*) | 335094.71 | 36419.00 | 1852325.50 | |
| N4-(ACETYL-BETA-D-GLUCOSAMINYL)ASPARAGINE (*) | - | - | 29008.00 | |
| N4-ACETYLCYTIDINE (*) | 79972.50 | - | 165239.50 | |
| N6-(DELTA2-ISOPENTENYL)-ADENINE | 43699.00 | 663260.67 | 583038.00 | |
| N-ACETYL-D-HEXOSAMINE | 66888.67 | 424746.00 | 305763.33 | |
| N-ACETYL-DL-GLUTAMIC ACID | 1049082.17 | 1222424.00 | 1074767.00 | |
| N-ACETYL-DL-METHIONINE | 147991.83 | - | 535237.92 | |
| N-ACETYL-D-TRYPTOPHAN | 212935.00 | - | 94837.00 | |
| N-ACETYL-L-ALANINE | 27224.00 | - | 136214.00 | |
| N-ACETYL-L-ASPARTIC ACID | 274252.50 | 363840.67 | 815237.50 | |
| N-ACETYL-L-CYSTEINE | - | 149313.80 | - | |
| N-ACETYL-L-LEUCINE | 200931.67 | - | 437587.00 | |
| N-ACETYL-L-PHENYLALANINE | 38339.00 | - | 28707.00 | |
| N-ACETYLNEURAMINATE | 156324.17 | 21274.00 | 316995.17 | |
| N-ACETYLPUTRESCINE | - | - | 84021.00 | |
| N-ACETYLSEROTONIN | 102139.00 | - | 196218.00 | |
| N-ALPHA-ACETYL-L-ASPARAGINE | - | 256443.00 | 29774.50 | |
| N-ALPHA-ACETYL-L-LYSINE | 216659.50 | 473625.00 | 361868.00 | |
| N-AMIDINO-L-ASPARTATE | - | 18147.00 | - | |
| N-BENZYLOXYCARBONYLGLYCINE | 1855173.00 | 971664.50 | 2044557.50 | |
| N-CYCLOHEXYLFORMAMIDE | 55795.50 | - | 47634.50 | |
| NICOTINAMIDE | 11194233.00 | 103145853.50 | 26633903.50 | |
| NICOTINAMIDE ADENINE DINUCLEOTIDE | 202188.00 | 29540522.50 | 1303388.25 | |
| NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE | 47324.50 | 974359.00 | - | |
| NICOTINAMIDE MONONUCLEOTIDE | 41542.50 | 331543.25 | 1007314.50 | |
| NICOTINATE D-RIBONUCLEOSIDE (*) | 1227232.00 | - | 1299174.20 | |
| N-METHYLTYRAMINE (*) | - | 27661.50 | 87650.00 | |
| N,N,N-TRIMETHYLLYSINE | 31295.00 | 92561.00 | 43888.00 | |
| N-OLEOYLGLYCINE | 127291.00 | - | 79838.00 | |
| NORADRENALINE | 78911.50 | - | 59033.50 | |
| NORMETANEPHRINE | 88550.00 | 206667.00 | 100389.00 | |
| N(PAI)-METHYL-L-HISTIDINE | 32315.50 | 564571.50 | 51873.50 | |
| O-ACETYL-L-CARNITINE | 25682023.00 | 73040575.25 | 72156536.40 | |
| OCTOPAMINE | 20291.00 | - | - | |
| OLEAMIDE | 196246.27 | 25847.00 | 990649.00 | |
| OLEOYLCARNITINE (*) | 345406.50 | 15566137.00 | 3912904.60 | |
| OLEOYLGLYCEROPHOSPHOCHOLINE (*) | 282318.80 | 12599078.50 | 578952.25 | |
| O-PHOSPHO-DL-SERINE | 140122.50 | 161291.00 | 325843.50 | |
| O-PHOSPHONOHEXOPYRANOSE | 188811.00 | - | 359172.50 | |
| OPHTHALMIC ACID | 1134080.50 | 476533.00 | 2422375.50 | |
| ORNITHINE | 62593.00 | 346577.50 | 50842.75 | |
| OROTIDINE 5`-MONOPHOSPHATE | 32655.00 | 38875.33 | 62147.50 | |
| O-SUCCINYL-L-HOMOSERINE | 29042.00 | 17353.50 | 137155.00 | |
| OXOMALONATE | - | 14526.00 | - | |
| PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*) | 573965.00 | 3490964.80 | 27372.00 | |
| PALMITOYLCARNITINE (*) | 480539.00 | 35136637.62 | 4515965.62 | |
| PALMITOYLGLYCEROPHOSPHOCHOLINE (*) | 4211420.06 | 28478298.66 | 4869653.79 | |
| PALMITOYL SPHINGOMYELIN (*) | 32795830.75 | 71243140.50 | 73368382.75 | |
| PANTOLACTONE | 413502.75 | 67117.00 | 218263.00 | |
| PANTOTHENIC ACID | 229198.12 | 8283988.83 | 980053.00 | |
| PARAOXON-METHYL | - | 200417.00 | 16922.00 | |
| PENTADECANOYLGLYCEROPHOSPHOCHOLINE/STEAROYLGLYCEROPHOSPHOETH... | 104065.00 | 9843565.50 | 285836.00 | |
| PENTITOL | 539523.00 | - | 273385.00 | |
| PENTOPYRANOSE | 45841.00 | - | - | |
| PHENYLACETIC ACID | 38490.00 | - | 24871.00 | |
| PHENYLACETYLGLUTAMINE (*) | 416991.57 | 35164.00 | 748536.78 | |
| PHENYLALANINE | 17340369.00 | 351526750.25 | 44468999.50 | |
| PHOSPHATE | 265422.00 | 31539.00 | 271965.67 | |
| PHOSPHOCHOLINE | 255277.67 | 2151919.00 | 1073583.00 | |
| PHOSPHOCREATINE | 156870.50 | 28063.00 | 107309.00 | |
| PHOSPHO(ENOL)PYRUVIC ACID | 79343.00 | - | 84681.00 | |
| PHOSPHOETHANOLAMINE | - | - | 366200.00 | |
| PHOSPHONOACETATE | - | 33065.50 | - | |
| PHTHALATE | 62079.50 | - | 40786.00 | |
| PIMELIC ACID | 212449.00 | - | 585019.00 | |
| PIPECOLIC ACID | 871394.00 | 1111459.50 | 1705199.00 | |
| PIPERINE (*) | 721020.13 | 492144.87 | 2510526.25 | |
| PREGNENOLONE | 308523.00 | - | 453572.00 | |
| PROLINE | 3784121.00 | 5776165.25 | 8715510.25 | |
| PROMETRYN | 120832.50 | 70619.00 | 158120.00 | |
| PROTOPORPHYRIN | 69556.00 | - | 27401.50 | |
| PTERIN | 21894.00 | 175774.75 | 34137.00 | |
| PYRIDINE CARBOXYLIC ACID | 21572.00 | - | 18091.50 | |
| PYRIDOXAL | - | 27851237.00 | 45896.00 | |
| QUINATE | 40553.00 | - | 20831.00 | |
| QUINOLIN-2-OL | 33894.50 | - | 49305.50 | |
| QUINOLINE | - | 440858.50 | 57837.00 | |
| RAFFINOSE | 1128890.00 | 46992.00 | 570834.50 | |
| RETINAL | 42370.00 | - | 79505.00 | |
| RETINOATE | 148882.25 | 45574.00 | - | |
| RETINOL | 133362.00 | 27335.00 | 194624.50 | |
| RIBOSE 5-PHOSPHATE | 23537.00 | - | 43236.00 | |
| RIBULOSE 1,5-BISPHOSPHATE | 31415.00 | - | - | |
| S-ADENOSYL-L-HOMOCYSTEINE | 1133001.75 | 56363845.50 | 8269841.25 | |
| S-ADENOSYL METHIONINE | 80757.33 | 832584.00 | 152610.25 | |
| SALICYLAMIDE | 29194.00 | - | 23963.00 | |
| SALICYLIC ACID | 21424.50 | - | 24456.00 | |
| SALSOLINOL | - | 34832.50 | 103861.33 | |
| SELENOCYSTAMINE | 45479.00 | - | 45153.00 | |
| SERINE | 14961.00 | 35347.00 | 56031.00 | |
| SEROTONIN | 36457.00 | 41950.00 | 50510.00 | |
| S-HEXYL-GLUTATHIONE | - | - | 177124.00 | |
| SHIKIMATE | 194320.50 | - | 94253.50 | |
| SN-GLYCERO-3-PHOSPHOCHOLINE | - | 447648.00 | - | |
| SORBIC ACID | 28114.00 | - | - | |
| SPERMIDINE | 41175.00 | 7997034.00 | 100203.00 | |
| SPHINGANINE | 76488.67 | 574149.50 | 665456.00 | |
| SPHINGOMYELIN (CATION) | 66620.00 | - | - | |
| SPHINGOSINE (*) | 230960.67 | 4817616.25 | 1128740.75 | |
| SQUALENE | 45613.00 | - | 214035.00 | |
| STACHYOSE | 409862.50 | 232333.00 | 506803.50 | |
| STEAROYL SPHINGOMYELIN (*) | 6608091.62 | 11493002.50 | 5020079.89 | |
| SUBERIC ACID | 658282.50 | 35682.00 | 1674249.33 | |
| SUCCINATE | 82959.00 | - | - | |
| SUCCINATE (*) | 1265428.00 | - | 363598.00 | |
| TAURINE | 476619.00 | 21974.50 | 1149023.20 | |
| TAUROLITHOCHOLATE | - | 17441.00 | - | |
| TESTOSTERONE | 328961.00 | 644181.00 | 275596.00 | |
| THIAMINE | - | 268198.00 | 167613.00 | |
| THIAMINE MONOPHOSPHATE | 25158.00 | 35757.00 | 32987.00 | |
| THIAMINE PYROPHOSPHATE | 17462.00 | 45493.50 | - | |
| THIOPURINE S-METHYLETHER | - | - | 88355.00 | |
| THYMIDINE | 33818.00 | - | 24450.00 | |
| THYMIDINE-5`-DIPHOSPHO-GLUCOSE | - | 18883.00 | - | |
| THYMINE | - | - | 97946.50 | |
| THYROTROPIN RELEASING HORMONE | 32489.00 | 825388.00 | - | |
| THYROXINE | 32748.00 | 197543.00 | - | |
| TRANS-CYCLOHEXANE-1,2-DIOL | 143278.50 | - | 293928.00 | |
| TRIMETHYLAMINE | 38571.00 | 1642965.50 | 30083.00 | |
| TRYPTAMINE | 21278.00 | 923731.50 | 85130.00 | |
| TRYPTOPHAN | 6061090.83 | 178836049.00 | 15234876.17 | |
| TRYPTOPHANAMIDE | - | - | 22441.00 | |
| TRYPTOPHAN BETAINE (*) | 992846.00 | - | 1239660.32 | |
| TYROSINE | 7788211.75 | 47748472.75 | 18883149.62 | |
| UDP-D-GLUCURONATE | 21180.00 | - | - | |
| URACIL | - | 440527.00 | - | |
| URATE | 2669275.33 | 394115.00 | 3347806.00 | |
| URATE (*) | - | - | 61981.75 | |
| UREA | 171737.33 | - | 182930.00 | |
| URIDINE | 3660561.40 | 2333375.10 | 3454598.50 | |
| URIDINE 5`-DIPHOSPHATE | 35815.00 | - | 46871.00 | |
| URIDINE 5`-DIPHOSPHO-N-ACETYLGALACTOSAMINE | - | 294587.00 | - | |
| URIDINE 5`-DIPHOSPHO-N-ACETYLGLUCOSAMINE | - | 74361.00 | - | |
| URIDINE-5-MONOPHOSPHATE | 260989.00 | - | 237786.00 | |
| UROBILIN (*) | - | 173007.50 | 24816.00 | |
| UROCANATE | 211974.00 | - | 82604.00 | |
| URSODIOL | 229933.00 | - | 219543.00 | |
| VALINE | 14069674.00 | 63496802.88 | 29931008.00 | |
| VITAMIN B12 | - | - | 35455.00 | |
| VITAMIN D2 | - | - | 16245.00 | |
| VITAMIN D3 | 33990.00 | 35907.00 | 118732.00 | |
| XANTHINE | 4774495.50 | 509484.00 | 14169168.00 | |
| XANTHOSINE | 228162.00 | - | 583093.00 | |
| XANTHURENIC ACID | 206308.00 | - | 542721.00 |
Factors:
| F1 | Pancreas tissue type:Normal area of the pancreas with tumor |
| F2 | Pancreas tissue type:Normal pancreas |
| F3 | Pancreas tissue type:Pancreas tumor |
