Data for ST000046
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 10,11-epoxy-chlorovuloneI | 5431.15 | 7477.47 | 6463.79 | |
| 10-hydroxy-11-dodecenoicacid | 3900.28 | 3299.54 | 3409.00 | |
| 11-deoxy-11-methylene-15-keto-PGD2 | 14250.26 | 19378.80 | 12052.00 | |
| 11-deoxy-16,16-dimethyl-PGE2 | 28575.86 | 32698.21 | 26019.80 | |
| 12alpha-Hydroxy-3-oxochola-4,6-dien-24-oicAcid | 6356.26 | 5805.00 | 5201.65 | |
| 1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1^-myo-inosit... | 6069.55 | 5789.60 | 5014.24 | |
| 1,2-Didecanoyl-glycerol(10:0) | 5872.40 | 5568.92 | 5974.38 | |
| 12-oxo-10Z-dodecenoicacid | 3524.50 | 3991.60 | 3401.61 | |
| 13,14-dihydro-15-keto-PGF2alpha | 13808.60 | 5986.88 | 6193.71 | |
| 1,3-Dimethyluricacid | 53315.83 | 56289.12 | 42718.92 | |
| 13E,17-octadecadienoicacid | 322925.07 | 436034.37 | 345088.20 | |
| (+/-)-13-HDoHE | 7442.89 | 17201.54 | 9417.64 | |
| 13S-hydroxy-9E,11Z-octadecadienoicacid | 12297.72 | 17852.65 | 22932.80 | |
| 16a-Hydroxyprednisolone16,17-acetonide | 18723.39 | 21020.87 | 15695.36 | |
| 16-hydroperoxy-9Z,12,14E-octadecatrienoicacid | 69119.93 | 51466.67 | 46680.47 | |
| 17a-Ethynylestradiol2-glucuronide | 4798.58 | 4863.67 | 4113.32 | |
| 17-alpha,21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-... | 15642.30 | 24019.31 | 24129.00 | |
| 1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-... | 15650.40 | 17752.75 | 16998.12 | |
| 19-hydroxy-17-oxoandrost-5-en-3-beta-ylsulfate | 39065.37 | 60194.93 | 41052.23 | |
| 1alpha,25-Dihydroxy-2-[3^-(methoxymethoxy)propylidene]-19-no... | 11094.75 | 13826.06 | 11862.80 | |
| 1alpha,25-dihydroxy-24-oxovitaminD_3/1alpha,25-dihydroxy-24-... | 33589.57 | 39468.53 | 33723.28 | |
| 1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitaminD3/1alpha,25... | 186351.53 | 204348.20 | 167136.00 | |
| 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitaminD3/1alpha... | 149550.33 | 136206.09 | 112608.27 | |
| 1alpha,25-dihydroxy-2beta-butoxyvitaminD3/1alpha,25-dihydrox... | 48027.59 | 60327.81 | 43094.75 | |
| 1alpha,2beta,25-trihydroxy-19-norvitaminD3/1alpha,2beta,25-t... | 36157.37 | 35377.57 | 31150.90 | |
| 1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23... | 17352.27 | 15182.00 | 24548.50 | |
| 1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D... | 121630.00 | 92781.93 | 83680.68 | |
| 1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn... | 30482.54 | 34061.23 | 40715.92 | |
| 1-Hydroxy-2-naphthoicacid | 292604.50 | 348400.36 | 310743.67 | |
| 1-Methylguanosine | 6078.57 | 6794.04 | 5504.92 | |
| 1-Methylguanosine-2.064858 | 10114.62 | 9621.00 | 10873.00 | |
| 1-Methylinosine | 6516.12 | 6968.57 | 6548.80 | |
| 1-Methyluricacid | 59438.27 | 62680.93 | 62957.07 | |
| 1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy... | 31759.53 | 35437.00 | 35975.80 | |
| 20alpha-Dihydroprednisolone | 31490.22 | 42033.73 | 26945.75 | |
| 20-ethyl-PGE2 | 4736.11 | 5332.00 | 3977.35 | |
| (20R)-24-Hydroxy-19-norgeminivitaminD3 | 30687.38 | 38561.76 | 29172.52 | |
| (20S)-1alpha,20,25-trihydroxyvitaminD_3/(20S)-1alpha,20,25-t... | 37030.79 | 42044.08 | 38398.75 | |
| (22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dih... | 44518.69 | 142546.25 | 75305.06 | |
| 2,3-DIACETOXY-7,8-EPOXY-24,29-DINOR-1,3,5-FRIEDELATRIENE-20-... | 21051.05 | 15833.85 | 11959.13 | |
| 2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyaceticacid | 2384.36 | 2508.35 | 2478.87 | |
| 2,3-Dihydroxy-3-methylvalericacid | 5995.88 | 9639.00 | 5548.00 | |
| 2,3-Dihydroxybenzoicacid | 125219.53 | 118546.77 | 159683.37 | |
| 2,3-Dihydroxybenzoicacid-0.9889191 | 27420.35 | 22438.64 | 33256.12 | |
| 2,3-Naphthalenedicarboxylicacid | 15552.67 | 14338.60 | 12836.85 | |
| 2,3-Naphthalenedicarboxylicacid-2.6398537 | 2405012.54 | 3011910.10 | 2648900.43 | |
| (23S)-1alpha,23,25-trihydroxy-24-oxovitaminD3/(23S)-1alpha,2... | 4445.36 | 3992.92 | 4856.75 | |
| (23S,25R)-25-hydroxyvitaminD326,23-lactone/(23S,25R)-25-hydr... | 43887.14 | 32553.00 | 21073.77 | |
| 24,24-Difluoro-25-hydroxy-26,27-dimethylvitaminD3 | 30212.52 | 19908.57 | 16265.37 | |
| 2,4-DICHLOROPHENOXYACETICACID | 5328.19 | 6335.89 | 5946.68 | |
| 2,4-DICHLOROPHENOXYACETICACID,ISOOCTYLESTER | 4761.40 | 4105.22 | 3601.79 | |
| 2,4-DICHLOROPHENOXYBUTYRICACID,METHYLESTER | 16887.95 | 9901.70 | 21195.00 | |
| 2,4-DINITROPHENOL | 14810.86 | 13221.38 | 13862.69 | |
| (24R)-1alpha,24,25,26-tetrahydroxyvitaminD2/(24R)-1alpha,24,... | 19178.81 | 20860.06 | 15445.17 | |
| (24R)-1alpha,24,25-trihydroxyvitaminD2/(24R)-1alpha,24,25-tr... | 37930.80 | 35043.33 | 32038.00 | |
| 2,5-Dimethoxycinnamicacid | 12283.00 | 16851.17 | 17277.03 | |
| 25-Hydroxy[26,27-methyl]vitaminD33beta-(1,2-epoxypropyl)ethe... | 31063.19 | 30406.50 | 27733.42 | |
| 27-nor-5b-cholestane-3a,7a,12a,24,25-pentol | 69324.55 | 73646.74 | 38175.57 | |
| 2beta,3beta-Dihydroxy-6-oxo-5alpha-chol-7-en-24-oicAcid | 4359.83 | 6285.00 | 7373.33 | |
| 2-Deoxyglucose | 22947.94 | 22020.44 | 21021.92 | |
| 2-Ethylisonicotinicacid | 582235.75 | 625314.07 | 600960.19 | |
| 2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoicacid | 325885.71 | 578173.63 | 756839.52 | |
| 2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoicacid-1.2696713 | 49302.47 | 100936.20 | 132914.33 | |
| 2-Hydroxyethanesulfonate | 84247.70 | 78825.37 | 69018.00 | |
| 2-Hydroxyethinylestradiol | 93619.13 | 108515.73 | 93306.33 | |
| 2-Hydroxyethinylestradiol-0.6810523 | 12531.61 | 11147.29 | 10719.81 | |
| 2-Hydroxyethinylestradiol-0.9149169 | 11466.48 | 8678.19 | 10119.62 | |
| 2-Hydroxyethinylestradiol-1.2492456 | 13006.86 | 12904.10 | 11261.04 | |
| 2-Hydroxyethinylestradiol-1.3930613 | 13152.82 | 11191.00 | 14440.53 | |
| 2-Hydroxyethinylestradiol-1.9749593 | 43487.13 | 39600.00 | 39590.20 | |
| 2-Hydroxyethinylestradiol-2.0970936 | 22430.18 | 20160.47 | 23102.73 | |
| 2-Hydroxyethinylestradiol-2.835231 | 12092.00 | 10382.00 | 12335.76 | |
| 2-Methoxyestrone3-glucuronide | 11773.00 | 7766.70 | 8122.52 | |
| 2-Methyl-3-ketovalericacid | 88882.40 | 111637.70 | 107122.37 | |
| 2-methyl-tridecanedioicacid | 45089.52 | 34445.87 | 25906.53 | |
| 2-Naphthaleneaceticacid,6-hydroxy- | 12635.29 | 13979.82 | 11200.88 | |
| 2-Naphthaleneaceticacid,6-hydroxy--2.938551 | 32774.36 | 62362.40 | 48463.08 | |
| 2-oxo-4-hydroxy-hexanoicacid | 12224.38 | 6253.53 | 5174.50 | |
| 2-Phthalimidoglutaricacid | 4254.86 | 4556.95 | 4521.25 | |
| 2-propyl-tridecanoicacid | 44955.73 | 54303.30 | 46824.27 | |
| 2-propyl-tridecanoicacid-1.9773412 | 35060.67 | 40058.07 | 26521.70 | |
| 2-Pyridylacetylglycine | 6690.65 | 6014.72 | 6405.67 | |
| 3,16-DIDEOXYMEXICANOLIDE-3alpha-DIOL | 80321.80 | 50786.43 | 58366.89 | |
| 3,6,8-dodecatrien-1-ol | 5284.50 | 8434.57 | 3114.23 | |
| 3,7,12-Trioxochola-1,5-dien-24-oicAcid | 61556.00 | 93914.96 | 75608.97 | |
| 3,9,15-Docosatriynoicacid | 66952.00 | 91091.67 | 89220.29 | |
| 3,9,15-Docosatriynoicacid-1.0828342 | 62640.75 | 76301.00 | 62674.33 | |
| 3-ACETOXYPREGN-16-EN-12,20-DIONE | 4689.33 | 4227.81 | 3605.08 | |
| 3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-e... | 7760.36 | 8529.42 | 6928.64 | |
| 3alpha,7alpha,12alpha,24-tetrahydroxy-24-methyl-5beta-choles... | 34332.86 | 33772.24 | 22162.38 | |
| 3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-... | 50306.03 | 53784.67 | 44636.68 | |
| 3-Amino-3-(4-hydroxyphenyl)propanoate | 16477.63 | 18030.93 | 17720.43 | |
| 3beta,4beta-Dihydroxy-5beta-cholan-24-oicAcid | 157499.23 | 193960.52 | 118254.83 | |
| 3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oicAcid | 82105.00 | 42804.69 | 41035.08 | |
| 3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oicAcid | 21555.41 | 20870.48 | 13301.67 | |
| 3beta-ACETOXYDEOXYANGOLENSICACID,METHYLESTER | 32952.80 | 47229.90 | 37045.14 | |
| 3D,7D,11D-Phytanicacid | 21952.61 | 28372.72 | 25012.92 | |
| 3-Dehydroquinicacid | 16252.88 | 18176.00 | 12220.79 | |
| 3E-undecenoicacid | 42426.47 | 36989.57 | 19383.27 | |
| 3E-undecenoicacid-1.2864791 | 18572.77 | 15489.60 | 12172.14 | |
| 3-Hydroxy-2-methyl-[R-(R,S)]-butanoicacid | 28097.33 | 30231.27 | 28477.20 | |
| 3-Hydroxy-2-methyl-[R-(R,S)]-butanoicacid-1.497357 | 29864.93 | 32832.63 | 30635.07 | |
| 3-hydroxy-hexadecanoicacid | 5595.30 | 6319.81 | 5203.85 | |
| 3-Hydroxysubericacid | 6914.00 | 6518.11 | 5317.72 | |
| 3-IndoleaceticAcid | 4280.73 | 4351.81 | 4677.59 | |
| 3-Indolepropionicacid | 7637.93 | 9615.60 | 11692.07 | |
| (3-Methoxy-4-hydroxyphenyl)ethyleneglycolsulfate | 10405.03 | 8777.03 | 8446.18 | |
| 3-Methylindole | 10157.59 | 11007.13 | 9167.70 | |
| 3-Methylindole-1.1832753 | 13981.89 | 12621.78 | 10217.11 | |
| 3-Methylindole-1.2864306 | 9881.80 | 8981.52 | 6401.86 | |
| 3-Methylpimelicacid | 10178.53 | 12077.23 | 8859.20 | |
| 3-NOR-3-OXOPANASINSAN-6-OL | 11411.64 | 22439.56 | 12620.93 | |
| 4,7,10,13,16-docosapentaenoicacid | 17726.67 | 28628.20 | 19681.20 | |
| 4,8-dimethyl-dodecanoicacid | 5327.09 | 5482.82 | 4844.42 | |
| 4,8-dimethyl-dodecanoicacid-1.9773146 | 4979.34 | 6424.96 | 4063.12 | |
| 4-amino-4-cyano-butanoicacid | 7100.27 | 6980.00 | 6382.38 | |
| ,4-Dimethoxyphenethylamine | 5956.83 | 5752.59 | 6073.22 | |
| 4-dodecynoicacid | 6755.14 | 12575.09 | 5307.57 | |
| 4-Hydroxybenzenesulfonicacid | 629750.53 | 499264.47 | 288396.43 | |
| 4-Hydroxybenzylcyanide | 9988.93 | 8425.60 | 8145.37 | |
| 4-hydroxylauricacid | 16273.31 | 17533.89 | 15181.64 | |
| 4-hydroxypelargonicacid | 4930.03 | 6454.45 | 5775.70 | |
| 4-Hydroxypyridine | 28731.22 | 20651.40 | 23847.23 | |
| 4Z,7Z,10Z,13Z-eicosatetraenoicacid | 47348.14 | 73329.43 | 56547.50 | |
| 5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl-Pentanoic... | 6564.25 | 262026.64 | 12068.86 | |
| 5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl-Pentanoic... | 8284.77 | 8034.93 | 7262.93 | |
| 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoicacid... | 28240.56 | 35611.14 | 53676.71 | |
| 5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoicacid... | 9642.44 | 6481.83 | 5019.36 | |
| 5,6-Dihydrouridine | 75183.10 | 66313.30 | 63735.17 | |
| 5,7-nonadienoicacid | 10090.00 | 12032.12 | 5369.43 | |
| 5,8-Dihydroxy-3,4-dihydrocarbostyril | 765323.97 | 600833.33 | 823846.37 | |
| 5&946;-CHOLANICACID-3&945;,12&945;-DIOLN-(2-SULPHOETHYL)-AMI... | 24306.79 | 15484.21 | 22047.94 | |
| 5&946;-CHOLANICACID-3&945;,12&945;-DIOLN-(2-SULPHOETHYL)-AMI... | 41591.12 | 24666.00 | 29813.85 | |
| 5beta-Androstan-3alpha-ol-17-onesulfate | 465941.40 | 389629.27 | 264683.10 | |
| (5E,10E)-19-(3-carboxylpropyl)vitaminD3/(5E,10E)-19-(3-carbo... | 42539.52 | 135597.43 | 49288.97 | |
| (5E,10Z)-19-fluoro-1alpha-hydroxyvitamin-D3/(5E,10Z)-19-fluo... | 61832.40 | 91993.15 | 106297.50 | |
| 5-Hydroxyindoleaceticacid | 6299.29 | 7064.71 | 7252.62 | |
| 5-Methoxyindoleacetate | 28881.60 | 31349.91 | 28052.50 | |
| 5-Methoxyindoleacetate-3.1318412 | 22600.81 | 16450.95 | 12154.55 | |
| 5-Methoxytryptamine | 3718.62 | 4933.67 | 3645.80 | |
| 5-octadecylenicacid | 315656.13 | 401690.17 | 325067.77 | |
| 5-octadecylenicacid-1.9778987 | 2560.95 | 4098.50 | 2476.69 | |
| 5-oxo-7-decynoicacid | 3021.18 | 1748.50 | 3379.00 | |
| 5-tert-Butyl-4-hydroxymethylfuran-2-carboxylicacid | 46281.31 | 45458.67 | 22045.57 | |
| 6-hydroxy-2-hexynoicacid | 7702.00 | 11531.80 | 5612.00 | |
| 6-Hydroxynicotinicacid | 22456.31 | 19598.14 | 20099.27 | |
| (6S)-1alpha,25-dihydroxyvitaminD36,19-sulfurdioxideadduct/(6... | 9678.75 | 11012.71 | 11024.87 | |
| 7alpha-Hydroxy-3,12-dioxochola-1,4-dien-24-oicAcid | 23998.00 | 27903.47 | 17737.00 | |
| 7-Dehydrologanintetraacetate | 6820.33 | 9950.64 | 7815.65 | |
| 7-Ethoxycoumarin | 10341.78 | 14548.67 | 13565.36 | |
| 7-Hydroxymethotrexate | 6790.60 | 6545.67 | 6706.67 | |
| 7-Hydroxyoctanoicacid | 10780.07 | 25271.50 | 18018.83 | |
| 7-hydroxyTetranorIloprost | 5963.44 | 8716.86 | 5877.00 | |
| 7-palmitoleicacid | 33432.00 | 33628.13 | 29114.27 | |
| 9,12,14-octadecatrienoicacid | 106814.37 | 108556.03 | 81281.47 | |
| 9,12-dioxo-dodecanoicacid | 34081.13 | 49033.90 | 23490.13 | |
| 9,12-dioxo-dodecanoicacid-1.2552382 | 4510.14 | 8257.62 | 4150.60 | |
| 9,13-dihydroxy-11-octadecenoicacid | 45400.30 | 36392.07 | 35130.57 | |
| 9-hydroxy-5Z-nonenoicacid | 3355.07 | 3380.13 | 3169.75 | |
| 9-Hydroxyfluorene | 9041.11 | 7282.46 | 13467.81 | |
| 9-lauroleicacid | 13413.50 | 13291.87 | 10470.31 | |
| ABSCISICACID(cis,trans) | 8472.32 | 9764.24 | 9553.04 | |
| Acenocoumarol | 5389.77 | 9070.65 | 5221.18 | |
| Acetoaceticacid | 24219.93 | 20923.66 | 25959.15 | |
| Acetoaceticacid-1.094471 | 21457.12 | 20200.00 | 12973.38 | |
| Acetoin | 20220.80 | 21967.40 | 19834.07 | |
| Acetoin-1.6783701 | 9759.27 | 10312.91 | 11401.70 | |
| Acetoin-1.7853503 | 9924.11 | 10445.27 | 5060.00 | |
| Acipimox | 119029.30 | 95229.40 | 92710.60 | |
| Adenine | 27394.16 | 26215.24 | 28300.62 | |
| Adriamycinone | 3630.42 | 3867.50 | 3719.18 | |
| a-hydroxybutyrate | 155727.57 | 241381.80 | 160071.70 | |
| a-hydroxybutyrate-1.9751152 | 5713.64 | 7144.48 | 6023.72 | |
| a-hydroxyisovalerate | 13594.95 | 9668.76 | 25693.14 | |
| AlaMetLys | 6383.20 | 6115.13 | 6708.00 | |
| AlaPheTrp | 8901.54 | 9043.94 | 7968.95 | |
| Aldosterone | 13335.48 | 13869.50 | 16046.85 | |
| Allantoin | 16732.93 | 14807.56 | 15566.86 | |
| Allantoin-1.7900012 | 15181.75 | 13875.29 | 12531.19 | |
| Allantoin-2.1175833 | 9253.17 | 12786.19 | 9188.50 | |
| alpha-hydroxyisobutyrate | 53800.73 | 70817.50 | 58663.57 | |
| alpha-hydroxyisobutyrate-2.6837463 | 24362.17 | 45094.95 | 47192.33 | |
| alpha-hydroxyisobutyrate-2.909506 | 78252.58 | 97343.16 | 113335.33 | |
| altretamine | 41249.70 | 55429.54 | 38009.61 | |
| ANGOLENSICACID,METHYLESTER | 27514.63 | 24842.00 | 22958.43 | |
| Anhydrorhodovibrin | 53504.71 | 54071.83 | 44460.00 | |
| Apionicacid | 68458.39 | 64884.15 | 58989.96 | |
| Arbekacin | 97813.56 | 73171.38 | 88606.31 | |
| ArgPheArg | 14336.60 | 13306.53 | 14534.07 | |
| AsnThrPhe | 15212.70 | 16386.43 | 14180.57 | |
| AsnTyrMet | 4471.81 | 3164.38 | 4132.30 | |
| AspAsnGlu | 6742.20 | 6041.87 | 4032.00 | |
| Asymmetricdimethylarginine | 8766.00 | 8036.50 | 8117.13 | |
| b-D-Mannose6-phosphate | 2630.07 | 2991.92 | 3033.00 | |
| Benzene | 14828.16 | 17219.64 | 12931.23 | |
| Benzenemethanol,2-(2-aminopropoxy)-3-methyl- | 67034.86 | 90031.90 | 123178.50 | |
| Benzenemethanol,2-(2-aminopropoxy)-3-methyl--1.2709796 | 16707.25 | 18531.95 | 24334.27 | |
| Benzoicacid | 21507.52 | 27771.46 | 24041.12 | |
| Benzylalcohol | 544611.64 | 523469.17 | 497204.30 | |
| BEPRIDIL | 65582.59 | 92351.48 | 62031.52 | |
| beta-Alanine | 6235.07 | 6951.53 | 6707.60 | |
| beta-Alanine-6.940412 | 4601.15 | 3604.29 | 3919.47 | |
| bicyclo-PGE2 | 25770.07 | 16489.47 | 22507.75 | |
| Bifemelane(M4) | 5524.00 | 4913.40 | 5027.75 | |
| Bilirubin | 309656.97 | 452440.87 | 436914.40 | |
| Bilirubin-1.1929219 | 26688.62 | 8987.17 | 7113.20 | |
| BiliverdinIX | 14140.21 | 18599.07 | 17119.57 | |
| BiliverdinIX-1.1844323 | 16388.41 | 7397.29 | 5695.68 | |
| BiliverdinIX-1.6412624 | 9457.07 | 10335.43 | 10368.14 | |
| B-ureidoisobutyricacid | 7282.68 | 5916.20 | 5410.12 | |
| B-ureidoisobutyricacid-6.84278 | 22187.47 | 24080.57 | 24295.57 | |
| Castasterone | 144581.28 | 155482.64 | 128635.47 | |
| Chlorogenicacid | 21335.71 | 25368.73 | 24874.33 | |
| Cilastatin | 5815.77 | 7367.90 | 6514.17 | |
| Citraconicacid | 5695.18 | 7615.36 | 5552.05 | |
| Citraconicacid-1.7039735 | 40170.87 | 41371.13 | 41217.63 | |
| Citraconicacid-2.0528214 | 18581.83 | 17164.04 | 16690.97 | |
| Cortisone | 8145.32 | 11241.27 | 8683.69 | |
| Creatinine | 273750.23 | 287942.97 | 246304.57 | |
| CucurbitacinB | 36948.80 | 39265.35 | 39325.21 | |
| CysTyrCys | 6624.07 | 8739.10 | 8264.87 | |
| D1-2-Hydroxymethylethisterone | 36114.03 | 33364.43 | 31028.33 | |
| D1-2-Hydroxymethylethisterone-1.2735462 | 9765.04 | 9352.60 | 7955.72 | |
| D1-2-Hydroxymethylethisterone-1.9748375 | 23674.90 | 23127.90 | 20474.30 | |
| D1-2-Hydroxymethylethisterone-2.0968213 | 13240.43 | 13691.78 | 14891.65 | |
| D1-2-Hydroxymethylethisterone-2.831552 | 6562.75 | 6330.35 | 7185.75 | |
| DEACETYLGEDUNIN | 26074.88 | 30563.71 | 33825.50 | |
| Dehydroascorbicacid | 17467.07 | 17486.87 | 17662.70 | |
| Dehydroascorbicacid-1.9808468 | 9605.17 | 5053.36 | 13766.00 | |
| Desmosine | 9899.67 | 10961.83 | 11866.73 | |
| D-Glucose | 41696.40 | 47193.14 | 34887.00 | |
| D-Homoserine | 3824.07 | 3766.36 | 3939.67 | |
| D-Homoserine-6.4196935 | 16592.57 | 20466.63 | 18059.23 | |
| DIACERIN | 5743.33 | 3676.06 | 3604.27 | |
| Diacetyl | 10634.07 | 11512.93 | 12124.93 | |
| Diacetyl-1.7039394 | 81868.67 | 81585.57 | 82633.40 | |
| Diacetyl-2.050988 | 10426.08 | 12164.37 | 10574.94 | |
| Diacetyl-2.811758 | 5906.33 | 5018.36 | 7788.29 | |
| Dihydroxyacetone(glycerone) | 10505.18 | 11448.44 | 8934.06 | |
| dihydroxyacetonephosphate(DHAP) | 1773244.50 | 1658559.07 | 1641556.37 | |
| Dimethylmalonicacid | 7031.83 | 7760.78 | 10302.67 | |
| D-Leucicacid | 15215.14 | 18132.07 | 15715.73 | |
| Dodecanedioicacid | 26627.47 | 61613.50 | 22642.47 | |
| Dodecaprenylphosphate-galacturonicacid | 13605.18 | 16639.54 | 21159.60 | |
| D-Phenyllacticacid | 16255.53 | 24827.33 | 15302.37 | |
| D-Urobilinogen | 12278.70 | 14006.88 | 19929.48 | |
| Ecgonine | 4747.33 | 4790.52 | 4863.21 | |
| Embelin | 30151.36 | 33191.33 | 25438.90 | |
| Embelin-0.6724296 | 6922.42 | 8020.30 | 7618.48 | |
| Embelin-1.0966722 | 8957.00 | 41819.80 | 56233.69 | |
| Embelin-1.1010922 | 80049.87 | 86446.63 | 97427.73 | |
| Embelin-1.2989117 | 8037.89 | 8117.26 | 8266.67 | |
| Embelin-1.9788442 | 23297.30 | 23746.63 | 21623.10 | |
| Embelin-5.037233 | 6227.42 | 6323.25 | 7783.60 | |
| EPIAFZELECHINTRIMETHYLETHER | 15372.56 | 28832.00 | 12790.00 | |
| Erythrono-1,4-lactone | 35341.00 | 41260.07 | 42564.10 | |
| Fexofenadine | 16434.20 | 16011.27 | 15239.97 | |
| Flavinadeninedinucleotide(FAD) | 5529.05 | 7406.21 | 6939.04 | |
| Fluorescein | 6776.50 | 5998.37 | 5983.74 | |
| Fumaricacid | 9425.57 | 9671.47 | 6426.28 | |
| Galactosylglycerol | 13086.50 | 12577.28 | 8133.38 | |
| GemfibrozilM2 | 58302.35 | 58782.85 | 37332.15 | |
| GibberellinA9 | 6803.76 | 8413.00 | 8047.53 | |
| Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z)) | 39578.83 | 45191.57 | 40205.50 | |
| GlnTrpGln | 31742.70 | 30184.90 | 30980.75 | |
| Glucoheptonicacid | 76593.50 | 44137.32 | 53865.62 | |
| Glucoheptonicacid-5.512869 | 14426.87 | 16819.56 | 16433.94 | |
| Glutaconicacid | 3949.71 | 3120.25 | 3958.43 | |
| Glutaral(Glutaraldehyde) | 12896.86 | 13437.52 | 11565.73 | |
| Glutaral(Glutaraldehyde)-1.5232061 | 10715.32 | 12901.87 | 10635.38 | |
| Glutathione,oxidized | 4291.69 | 4537.20 | 4897.20 | |
| GluTyrTrp | 7628.75 | 7355.18 | 7454.81 | |
| GlyAsnTyr | 3909.89 | 5022.70 | 4248.29 | |
| glyceraldehyde | 69918.78 | 86412.80 | 63107.62 | |
| glyceraldehyde-5.612617 | 39971.35 | 46411.10 | 38102.05 | |
| glyceraldehyde-5.743466 | 46326.31 | 55461.59 | 51220.27 | |
| Glycine | 5726.90 | 6967.00 | 6722.45 | |
| Glycoursodeoxycholicacid | 50932.60 | 30971.80 | 40162.90 | |
| Glycoursodeoxycholicacid-4.8044558 | 22271.64 | 28163.67 | 21506.50 | |
| GlyGlyAsp | 19568.30 | 26502.27 | 20193.66 | |
| GlyHis | 12249.33 | 16642.22 | 6995.14 | |
| GPEtn(16:0/18:2(9Z,12Z)) | 14076.18 | 14233.86 | 14765.07 | |
| GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 20519.29 | 22812.83 | 24730.80 | |
| GPEtn(18:0/0:0) | 704202.13 | 884500.23 | 747063.00 | |
| GPEtn(18:0/18:3(9Z,12Z,15Z))[U] | 12455.86 | 15256.56 | 13991.67 | |
| GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] | 17163.83 | 21327.39 | 20116.38 | |
| GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U]-5.053175 | 246545.33 | 387755.40 | 275515.58 | |
| GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 160369.00 | 190467.23 | 189112.80 | |
| GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))-4.432728 | 6806.40 | 7279.40 | 7119.88 | |
| GPEtnNMe(16:0/18:1(9Z)) | 19571.28 | 15872.23 | 12848.95 | |
| GPEtnNMe(18:1(9Z)/18:1(9Z))[U] | 673534.80 | 844686.57 | 703253.53 | |
| GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) | 10743.63 | 15588.87 | 10691.50 | |
| GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z))-4.396363 | 16662.43 | 26315.87 | 20478.85 | |
| GPGro(17:0/20:4(5Z,8Z,11Z,14Z)) | 16740.33 | 23062.13 | 17826.47 | |
| GPSer(18:0/20:4(5Z,8Z,11Z,14Z)) | 18014.90 | 20940.13 | 19225.83 | |
| GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 9240.85 | 11435.36 | 10018.90 | |
| Gulonicacid | 61432.32 | 56353.50 | 41023.73 | |
| Hexadecanedioicacid | 28887.47 | 17022.97 | 15790.90 | |
| HisAsp | 38270.52 | 35859.31 | 56397.00 | |
| Hydrogensulfide | 7317.46 | 7702.58 | 8324.24 | |
| HYDROLYSISPRODUCTOFBUSSEIN | 15382.30 | 17140.53 | 21817.33 | |
| HYDROLYSISPRODUCTOFBUSSEIN-1.1705549 | 4674.62 | 6539.95 | 8899.24 | |
| Hydroxyhydroquinone | 11269.28 | 5686.25 | 14155.26 | |
| hydroxyurea | 3356.04 | 3208.29 | 3167.25 | |
| Hypoxanthine | 46275.86 | 66663.83 | 57066.46 | |
| Ibuprofen | 17459.77 | 12617.00 | 10029.17 | |
| Imidazolone | 15125.95 | 24429.15 | 20837.94 | |
| Imidazolone-0.86869437 | 8358.93 | 9306.29 | 8398.32 | |
| Imidazolone-1.0162789 | 9914.86 | 9495.07 | 10296.63 | |
| Imidazolone-1.1786416 | 33648.23 | 39339.30 | 35407.50 | |
| Imidazolone-1.2548895 | 9127.67 | 12185.10 | 12750.07 | |
| Imidazolone-1.9733089 | 27657.83 | 31866.07 | 29578.30 | |
| Imidazolone-2.0805917 | 12974.50 | 14922.16 | 14863.39 | |
| Imidazolone-5.1180844 | 8967.08 | 11434.00 | 10692.36 | |
| Imidazolone-5.360519 | 9746.76 | 9500.50 | 13363.88 | |
| Imidazolone-5.743238 | 15587.07 | 20317.85 | 16499.83 | |
| Indoleacrylicacid | 5963.67 | 2833.00 | 6452.43 | |
| Indoxylsulfuricacid | 651979.53 | 576431.87 | 531526.20 | |
| Isoacitretin | 11483.39 | 11679.58 | 11496.89 | |
| Isoacitretin-0.9586385 | 70339.47 | 84476.60 | 68944.77 | |
| Isoacitretin-1.2870859 | 20660.89 | 18118.82 | 16024.07 | |
| Isoacitretin-1.4615195 | 12379.81 | 13001.88 | 6116.50 | |
| Isoacitretin-1.974581 | 43214.63 | 41599.20 | 37487.60 | |
| Isoacitretin-2.0960872 | 26966.84 | 24387.50 | 26822.54 | |
| Isoacitretin-2.8331037 | 12407.88 | 11730.57 | 9743.95 | |
| Isoleucine | 39225.93 | 42406.83 | 39913.03 | |
| IsoquinolineN-oxide | 102457.43 | 124862.70 | 108947.80 | |
| KARANJIN | 11069.15 | 13875.96 | 9393.62 | |
| Lactaldehyde | 41570.10 | 57307.90 | 42857.17 | |
| Lactaldehyde-1.8610281 | 34122.17 | 37808.67 | 39807.07 | |
| Lactaldehyde-1.969307 | 25436.63 | 21268.67 | 23927.90 | |
| Lactate | 96538.67 | 77725.14 | 86085.75 | |
| Lacticacid | 24321.63 | 29917.10 | 24167.90 | |
| LactoneofPGF-MUM | 13068.00 | 8136.55 | 6916.44 | |
| Leucine | 72087.73 | 78244.03 | 77771.43 | |
| LeuGluGln | 38126.85 | 36902.36 | 25812.21 | |
| LeukotrieneD4 | 117962.88 | 137455.48 | 155424.95 | |
| Limonene-1,2-epoxide | 9635.23 | 13747.48 | 15723.48 | |
| Lithocholicacidglycineconjugate | 12780.60 | 10823.00 | 15113.61 | |
| Lorazepam | 15821.80 | 11008.50 | 9834.27 | |
| Lorazepam-2.5770097 | 8943.82 | 10058.35 | 11160.17 | |
| Lorazepam-2.8015165 | 7714.45 | 5981.29 | 8424.53 | |
| Lorazepam-2.8234196 | 18129.47 | 22858.30 | 20921.37 | |
| Losartan | 15326.80 | 14001.09 | 11272.75 | |
| L-Serine | 7714.28 | 8839.66 | 6787.85 | |
| LysCysHis | 23927.10 | 26785.86 | 24255.88 | |
| Megestrol | 15310.58 | 12572.96 | 9444.91 | |
| MERBROMIN | 2943.50 | 2980.63 | 2914.17 | |
| Methionine | 6268.80 | 7438.20 | 6703.60 | |
| MetHisLys | 42727.03 | 58517.53 | 44713.30 | |
| Methylglyoxal | 10732.03 | 12485.97 | 8526.03 | |
| Methylglyoxal-2.8082385 | 23270.26 | 23751.50 | 25436.22 | |
| Methylglyoxal-2.88404 | 10962.50 | 10426.53 | 6094.75 | |
| Methyljasmonate | 26874.27 | 29826.08 | 26849.26 | |
| METHYLMETHANESULFONATE | 9629.89 | 13045.42 | 9499.53 | |
| MetThrGly | 7888.70 | 7415.03 | 8159.67 | |
| Mono-N-depropylprobenecid | 5439.67 | 5286.23 | 5684.61 | |
| m-Salicylicacid | 4821.14 | 5135.25 | 4177.41 | |
| m-Salicylicacid-0.9199291 | 11337.63 | 8816.27 | 9173.82 | |
| m-Salicylicacid-0.9820459 | 82293.04 | 49333.04 | 57444.89 | |
| m-Salicylicacid-1.2043693 | 1137907.79 | 983577.54 | 962693.77 | |
| Murocholicacid | 150819.00 | 123899.53 | 103825.97 | |
| Murocholicacid-1.3160549 | 31865.14 | 16529.61 | 13308.17 | |
| myo-Inositol | 21515.30 | 26569.17 | 23518.33 | |
| myo-Inositol-2.7986326 | 79499.52 | 76822.41 | 102229.09 | |
| N-Acetyl-5-aminosalicylicacid | 1227336.00 | 1216445.92 | 1025282.72 | |
| N-Acetyl-5-aminosalicylicacid-3.4608338 | 7277.90 | 5703.93 | 5560.50 | |
| N-Acetyl-5-aminosalicylicacid-3.5709836 | 17574.52 | 26138.15 | 19561.35 | |
| N-Acetyl-5-aminosalicylicacid-3.7375138 | 11399.24 | 10634.79 | 8576.36 | |
| N-Acetyl-5-hydroxysulfapyridine | 4886.06 | 5357.23 | 5454.92 | |
| N-Acetylarylamine | 81673.60 | 57029.80 | 83067.87 | |
| N-Acetylgalactosamine4-sulphate | 17573.17 | 15537.00 | 16204.07 | |
| Nedocromil | 5263.23 | 4502.40 | 4897.30 | |
| N-formylmethionine | 9352.79 | 9997.80 | 7644.59 | |
| N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine | 62097.73 | 51917.30 | 46047.53 | |
| n-HexanoicAcid | 3877.23 | 5505.20 | 4076.38 | |
| O-BENZYL-l-SERINE | 5632.11 | 5215.25 | 10696.65 | |
| O-Desmethylnaproxen | 30053.59 | 29251.37 | 24670.17 | |
| O-Desmethylnaproxen-1.3922814 | 7369.88 | 12445.57 | 9058.71 | |
| O-Desmethylnaproxen-1.5370189 | 39161.75 | 62077.30 | 37480.10 | |
| OLEANDRIN | 67994.62 | 65308.12 | 64661.62 | |
| Oxolan-3-one | 9120.56 | 11132.82 | 10423.74 | |
| OXOLINICACID | 6743.30 | 9184.63 | 7425.73 | |
| OXOLINICACID-0.71193755 | 4286.28 | 5924.65 | 6337.36 | |
| Oxybenzone | 14967.38 | 19548.23 | 13461.03 | |
| PantothenicAcid | 111808.23 | 130178.43 | 107850.50 | |
| Paraxanthine | 74864.42 | 93964.48 | 69163.96 | |
| PenicillinG | 4658.43 | 5474.94 | 4395.20 | |
| Phenol | 148715.80 | 115312.60 | 68072.37 | |
| Phenol-0.98422074 | 16243.29 | 11295.81 | 17954.14 | |
| Phenol-1.2099077 | 1660997.65 | 693206.29 | 1137019.68 | |
| Phenol-1.9744366 | 24086.86 | 30131.74 | 36459.03 | |
| Phenol-2.0737092 | 110757.83 | 111955.11 | 103562.69 | |
| Phenylalanine | 68199.17 | 77136.53 | 70353.77 | |
| PhePheTrp | 14817.95 | 6776.00 | 17364.19 | |
| p-HYDROXYCINNAMALDEHYDE | 4128.57 | 4411.17 | 4003.04 | |
| p-Hydroxyfelbamate | 6838.17 | 8384.29 | 13174.62 | |
| p-Hydroxyphenylbutazoneglucuronide | 6486.05 | 5479.33 | 5759.00 | |
| PICROTIN | 22265.21 | 145411.05 | 35200.55 | |
| Pirenzepine | 5196.74 | 6986.89 | 5287.59 | |
| Pregnenolonesulfate | 11204.85 | 12743.37 | 11175.21 | |
| PRISTIMEROL | 7440.50 | 10444.07 | 8098.67 | |
| Proline | 18385.23 | 17465.87 | 15905.23 | |
| Propionylglycinemethylester | 31636.10 | 22440.33 | 21417.07 | |
| ProtoporphyrinogenIX | 66173.64 | 45687.41 | 48861.56 | |
| Purine | 476663.11 | 470209.03 | 533358.73 | |
| Purine-1.0046674 | 520065.53 | 549104.80 | 586245.80 | |
| Purine-1.9905083 | 1401644.83 | 1369941.97 | 1343114.30 | |
| Purine-5.6426544 | 504487.27 | 341683.89 | 490492.74 | |
| Pyrazinoicacid | 3589.33 | 4331.72 | 4305.81 | |
| Pyridoxinephosphate | 3167.25 | 3570.25 | 3395.83 | |
| Pyrocatechol | 73156.70 | 62060.40 | 78890.83 | |
| Pyrocatechol-0.85550505 | 23485.24 | 22381.00 | 28748.84 | |
| Pyrocatecholsulfate | 188122.68 | 161942.96 | 216578.33 | |
| PYROGALLIN | 7492.86 | 13448.82 | 9888.31 | |
| Pyroglutamicacid | 12006.30 | 15277.07 | 12528.70 | |
| Pyrrole-2-carboxylicacid | 7198.40 | 8401.77 | 7678.07 | |
| Pyruvicacid | 115711.80 | 105799.47 | 107836.93 | |
| QUERCETINTETRAMETHYL(5,7,3^,4^)ETHER | 13144.39 | 9345.06 | 12073.86 | |
| Rhein | 8107.47 | 6371.70 | 12278.06 | |
| Rhodovibrin | 7208.79 | 7253.74 | 5461.17 | |
| Rimiterol | 13715.71 | 19645.07 | 10113.35 | |
| SAPPANONEA7-METHYLETHER | 14046.45 | 14442.08 | 13775.46 | |
| Sedoheptulose | 11220.54 | 16274.88 | 14974.09 | |
| SerArgAla | 27257.81 | 22177.38 | 48311.13 | |
| SerAspGly | 13500.23 | 18055.83 | 15663.07 | |
| SerLysMet | 2527.28 | 2709.62 | 2652.06 | |
| Spheroidene | 64613.05 | 80681.18 | 52342.81 | |
| Stearicacid | 25013.00 | 28028.27 | 17901.97 | |
| Succinicacid | 12267.13 | 15495.20 | 18178.29 | |
| Succinicanhydride | 6959.20 | 8944.67 | 8880.90 | |
| Succinicanhydride-1.970287 | 5671.38 | 5608.54 | 6544.35 | |
| Succinicanhydride-2.0484898 | 8046.12 | 5984.00 | 7150.94 | |
| SULBACTAM | 5348.53 | 7306.43 | 35466.33 | |
| SULBACTAM-1.9685525 | 6433.27 | 12557.75 | 47724.58 | |
| Sulfadoxinesuflate | 40180.67 | 39566.93 | 40669.87 | |
| SULFAGUANIDINE | 23449.60 | 26752.87 | 19068.80 | |
| Sulfate | 5946.57 | 7070.18 | 6248.67 | |
| Sulfate-0.9545675 | 13283.41 | 11777.72 | 10378.52 | |
| Sulfisoxazole | 14822.30 | 13149.27 | 13666.17 | |
| Sulfisoxazole-5.819529 | 12430.23 | 11552.20 | 12099.23 | |
| Sulfite | 31753.25 | 24136.19 | 27827.88 | |
| Sulfolithocholicacid | 39544.73 | 24065.77 | 24357.14 | |
| Sulfolithocholylglycine | 13502.00 | 10249.79 | 9836.53 | |
| Sulfolithocholylglycine-2.94846 | 182913.73 | 129349.33 | 144459.83 | |
| Taurine | 16493.70 | 16445.23 | 19362.20 | |
| Testosteronesulfate | 17942.00 | 32176.40 | 19523.33 | |
| Testosteronesulfate-0.8743172 | 230233.10 | 453771.73 | 290677.37 | |
| Tetracosanedioicacid | 7518.84 | 7274.83 | 6705.47 | |
| Tetrahydrofuran | 30291.40 | 22042.33 | 28431.50 | |
| TetranorIloprost | 10615.96 | 5983.29 | 5835.06 | |
| ThromboxaneA2 | 6575.93 | 7372.37 | 5594.43 | |
| ThrSerGln | 2843.00 | 1989.12 | 2730.22 | |
| TrpHisIle | 13235.38 | 9292.69 | 6494.57 | |
| TrpLysTrp | 15721.50 | 33565.06 | 18106.38 | |
| TrpLysTrp-1.0524514 | 73849.75 | 74281.80 | 78654.58 | |
| TrpTyrTyr | 4931.40 | 5115.77 | 5221.84 | |
| Tryptophan | 26702.30 | 31513.10 | 32504.53 | |
| TUBAICACID | 18134.43 | 18027.11 | 14624.03 | |
| Tuberonicacid | 16805.54 | 15866.35 | 12818.43 | |
| TyrArgLeu | 42130.33 | 22675.50 | 22447.67 | |
| Uracil | 17696.31 | 20326.23 | 18245.32 | |
| Uricacid | 6919.30 | 6209.95 | 7040.91 | |
| Uricacid-3.5087256 | 162570.53 | 132676.40 | 142653.73 | |
| Uridine | 350113.70 | 432217.13 | 400201.00 | |
| Uridine-2.1736543 | 836645.67 | 702275.27 | 676844.30 | |
| Valine | 34037.20 | 37407.90 | 36139.73 | |
| VD2656 | 54387.58 | 11118.95 | 52080.14 | |
| Veratricacid | 31959.75 | 34710.59 | 21944.70 | |
| Xanthine | 27976.24 | 42344.07 | 34135.77 | |
| Xanthine-1.9075025 | 32565.37 | 47877.09 | 46271.06 |
Factors:
| F1 | Cognitive Status:AD |
| F2 | Cognitive Status:CN |
| F3 | Cognitive Status:MCI |
