Data for ST002498
| Metabolite structure | All data | F1 | F2 |
|---|---|---|---|
| 10,11-dihydro-10-hydroxycarbamazepine | 219600825.00 | - | |
| 1-methyl-4-imidazoleacetate | 4801442.61 | 4792164.80 | |
| 1-methyl-5-imidazoleacetate | 22134676.92 | 17327648.83 | |
| 1-methylguanidine | 946568.39 | 825868.40 | |
| 1-methylnicotinamide | 7137343.64 | 6820716.59 | |
| 1-methylurate | 659156.11 | 598769.72 | |
| 1-methylxanthine | 792977.00 | 774479.84 | |
| 1-ribosyl-imidazoleacetate* | 3069039.10 | 3203134.82 | |
| 2,3-dihydroxypyridine | 1191379.57 | 1254858.43 | |
| 2-amino-4-cyanobutanoate | 317724067.45 | 323459696.42 | |
| 2-aminobutyrate | 227758042.48 | 228887235.70 | |
| 2-aminoheptanoate | 2006933.18 | 1942133.29 | |
| 2-furoylcarnitine | 542029.54 | 565926.91 | |
| 2-hydroxycarbamazepine | 10836544.50 | - | |
| 2-hydroxyglutarate | 1015344.62 | 1041601.12 | |
| 2-methylbutyrylcarnitine (C5) | 1018952.76 | 1148579.32 | |
| 2-methylserine | 4820930.80 | 5175538.37 | |
| 2^-O-methylcytidine | 938843.90 | 976390.53 | |
| 2-oxoarginine* | 3345364.60 | 3348396.13 | |
| 2-piperidinone | 88528852.32 | 75276362.63 | |
| 2-pyrrolidinone | 4485132.74 | 4076570.12 | |
| 3-amino-2-piperidone | 2576854.33 | 2595153.07 | |
| 3-aminoisobutyrate | 25654389.37 | 25430638.66 | |
| 3-(cystein-S-yl)acetaminophen* | 3765121.82 | 3406671.45 | |
| 3-formylindole | 5882974.62 | 6182777.55 | |
| 3-hydroxybutyroylglycine** | 1248694.41 | 1265461.10 | |
| 3-hydroxycarbamazepine | 8813098.50 | - | |
| 3-hydroxyhexanoylcarnitine (1) | 557832.76 | 544443.16 | |
| 3-hydroxyindolin-2-one | 231662.63 | 241405.09 | |
| 3-hydroxyoctanoylcarnitine (1) | 1880243.18 | 1963915.16 | |
| 3-hydroxyoctanoylcarnitine (2) | 736296.70 | 776197.07 | |
| 3-hydroxypyridine glucuronide | 2545308.46 | 2452906.19 | |
| 3-hydroxystachydrine* | 43818432.70 | 32251423.95 | |
| 3-methoxytyrosine | 1365173.25 | 2140287.52 | |
| 3-methylcytidine | 341305.91 | 343818.64 | |
| 3-methylglutarylcarnitine (2) | 1815460.64 | 1884383.21 | |
| 3-phosphoglycerate | 395239.55 | 364881.53 | |
| 3-ureidopropionate | 757777.78 | 521647.89 | |
| 4-acetamidobutanoate | 5231802.45 | 4638753.93 | |
| 4-guanidinobutanoate | 1620621.01 | 1464838.83 | |
| 4-hydroxyglutamate | 191861.28 | 201938.31 | |
| 4-hydroxyphenylacetoylcarnitine | 443771.60 | 443459.90 | |
| 4-imidazoleacetate | 1167176.73 | 1304931.44 | |
| 5,6-dihydrothymine | 2205374.86 | 2249885.03 | |
| 5-(galactosylhydroxy)-lysine | 701155.17 | 675489.99 | |
| 5-hydroxylysine | 1645868.18 | 1862097.36 | |
| 5-hydroxymethyl-2-furoylcarnitine* | 2006078.04 | 2629935.96 | |
| 5-methylthioadenosine (MTA) | 1032303.39 | 1054734.31 | |
| 7-methylguanine | 4515771.14 | 4617465.16 | |
| 7-methylurate | 237310.11 | 239406.70 | |
| 7-methylxanthine | 1438907.46 | 1356140.03 | |
| 8-methoxykynurenate | 1001322.00 | 508798.42 | |
| acetoacetate | 1370231.70 | 1349963.14 | |
| acetylcarnitine (C2) | 498544525.14 | 517195586.36 | |
| adenosine 5^-monophosphate (AMP) | 892408.16 | 801320.31 | |
| adipoylcarnitine (C6-DC) | 1410315.59 | 988874.49 | |
| alanine | 997186211.18 | 1019527481.02 | |
| alliin | 1984585.90 | 1798054.85 | |
| alpha-hydroxymetoprolol | 3285955.70 | 1974373.06 | |
| anthranilate | 414619.38 | 422567.20 | |
| argininate* | 2836334.54 | 2853606.20 | |
| arginine | 875690878.75 | 887550008.24 | |
| asparagine | 182690865.39 | 183561550.48 | |
| aspartate | 8145283.45 | 8245225.45 | |
| atenolol | 16126732.60 | 15917239.91 | |
| benzoylecgonine | 2486770.73 | 2639035.76 | |
| beta-alanine | 29382827.03 | 30649248.14 | |
| beta-guanidinopropanoate | 663084.39 | 608886.46 | |
| betaine | 1258878990.50 | 1224618337.88 | |
| butyrylcarnitine (C4) | 12517763.13 | 12660756.07 | |
| caffeine | 112409304.34 | 112533365.95 | |
| carboxyethyl-GABA | 268774.28 | 269754.60 | |
| carnitine | 1454464078.84 | 1496295143.91 | |
| carnosine | 267049.93 | 759084.34 | |
| cephalexin | 66921943.50 | 66921943.50 | |
| choline | 615549429.05 | 617858041.47 | |
| choline phosphate | 3877964.79 | 3807675.65 | |
| cimetidine | - | 14302406.00 | |
| citrulline | 203472396.61 | 202442423.75 | |
| cotinine | 10754520.39 | 11738508.11 | |
| creatine | 833344538.85 | 871801567.78 | |
| creatinine | 1863341164.15 | 1895325854.95 | |
| cyclo(gly-pro) | 288177.39 | 287458.99 | |
| cys-gly, oxidized | 4269392.46 | 4289743.02 | |
| cystathionine | 1293412.44 | 1391321.67 | |
| cysteine | 12988481.86 | 12985226.69 | |
| cysteine-glutathione disulfide | 8286919.43 | 8243698.17 | |
| cysteine s-sulfate | 772057.59 | 777100.43 | |
| cysteine sulfinic acid | 129315.78 | 132136.39 | |
| cysteinylglycine | 5594297.40 | 5670957.85 | |
| cysteinylglycine disulfide* | 80378896.75 | 82531993.87 | |
| cystine | 14446198.98 | 15378323.63 | |
| cytidine | 262480.94 | 273134.44 | |
| cytosine | 669723.59 | 697948.11 | |
| deoxycarnitine | 67156927.60 | 67838832.58 | |
| dimethylarginine (SDMA + ADMA) | 60556510.78 | 60888153.44 | |
| dimethylglycine | 63756554.46 | 62841933.98 | |
| dimethyl sulfone | 5874031.07 | 12264988.66 | |
| doxylamine | 562622.12 | 41550.23 | |
| ectoine | 4422947.35 | 4100149.78 | |
| ergothioneine | 6332749.24 | 5820075.46 | |
| formiminoglutamate | 1561977.31 | 1590424.95 | |
| fructosyllysine | 10766274.51 | 10798430.96 | |
| gamma-carboxyglutamate | 716270.50 | 676123.41 | |
| gamma-glutamyl-2-aminobutyrate | 621261.47 | 607713.39 | |
| gamma-glutamylalanine | 5674833.55 | 5667381.45 | |
| gamma-glutamyl-alpha-lysine | 5944461.50 | 6070555.24 | |
| gamma-glutamylcitrulline* | 2497409.74 | 2497756.68 | |
| gamma-glutamyl-epsilon-lysine | 1920231.00 | 1822636.72 | |
| gamma-glutamylglutamate | 1626852.17 | 1664660.60 | |
| gamma-glutamylglutamine | 51218848.27 | 51717404.48 | |
| gamma-glutamylglycine | 5002438.51 | 5055677.58 | |
| gamma-glutamylhistidine | 1666844.53 | 1690397.75 | |
| gamma-glutamylisoleucine* | 925757.95 | 952310.35 | |
| gamma-glutamylleucine | 2367837.78 | 2446879.52 | |
| gamma-glutamylmethionine | 2166930.68 | 2250814.34 | |
| gamma-glutamylphenylalanine | 979569.94 | 1007736.01 | |
| gamma-glutamylthreonine | 3223211.37 | 3283610.97 | |
| gamma-glutamylvaline | 4730011.28 | 4866792.91 | |
| glutamate | 210797542.62 | 218968551.42 | |
| glutamine | 1932842018.12 | 1948688332.57 | |
| glutamine conjugate of C6H10O2 (1)* | 465353.68 | 366731.03 | |
| glutarylcarnitine (C5-DC) | 4210811.13 | 4241876.24 | |
| glycerol 3-phosphate | 412416.19 | 421332.77 | |
| glycerophosphoethanolamine | 2410496.19 | 2522462.05 | |
| glycerophosphorylcholine (GPC) | 43786168.41 | 45576835.25 | |
| glycine | 124909953.73 | 127663949.19 | |
| guanidinoacetate | 22207506.61 | 21827627.94 | |
| hexanoylcarnitine (C6) | 3042739.74 | 3450673.95 | |
| homoarginine | 28794586.90 | 28815949.62 | |
| homostachydrine* | 10832430.44 | 10592094.28 | |
| hydroxyasparagine** | 1688187.30 | 1726371.11 | |
| hydroxybupropion | 702517518.25 | 1116071517.63 | |
| hydroxycotinine | 3061193.39 | 2433032.48 | |
| hydroxy-N6,N6,N6-trimethyllysine* | 1745793.85 | 1673446.55 | |
| hypoxanthine | 8984448.02 | 7493683.89 | |
| imidazole lactate | 8728427.79 | 9147249.64 | |
| imidazole propionate | 1296194.52 | 1399390.35 | |
| iminodiacetate (IDA) | 126710374.73 | 123848584.00 | |
| indoleacetoylcarnitine* | 306559.21 | 366488.00 | |
| indolin-2-one | 456125.32 | 475792.48 | |
| isobutyrylcarnitine (C4) | 12438420.26 | 13591013.41 | |
| isoleucine | 1365451637.87 | 1399317950.38 | |
| isovalerylcarnitine (C5) | 5579388.55 | 5799980.00 | |
| ketopioglitazone | 5122949.93 | 6133739.41 | |
| kynurenine | 25635618.59 | 26657127.80 | |
| lamivudine | 28163773.00 | 28163773.00 | |
| lanthionine | 560290.06 | 542649.67 | |
| leucine | 1372362543.05 | 1413790258.20 | |
| leucylglycine | 192486.40 | 197454.10 | |
| levulinoylcarnitine | 1154757.39 | 1426973.84 | |
| lidocaine | 2237420.94 | 8365139.11 | |
| lysine | 908930140.99 | 922110310.36 | |
| malonylcarnitine | 253859.36 | 255863.45 | |
| meglumine | 9444550.00 | 29334692.67 | |
| metformin | 432453068.38 | 366526518.42 | |
| methionine | 371568573.19 | 382030606.59 | |
| methionine sulfone | 2610966.30 | 2726454.41 | |
| methionine sulfoxide | 7368781.47 | 7771694.67 | |
| methyl indole-3-acetate | 367820.13 | 251392.39 | |
| methylsuccinoylcarnitine | 507005.63 | 540654.67 | |
| methylurea | 489952.15 | 432886.35 | |
| metoprolol acid metabolite* | 31452816.34 | 17270028.05 | |
| minocyclin | 16419890.00 | - | |
| N1-methyladenosine | 4246774.40 | 4433822.88 | |
| N1-methylinosine | 843451.40 | 870338.79 | |
| (N(1) + N(8))-acetylspermidine | 851741.71 | 802731.87 | |
| N2-acetyl,N6-methyllysine | 1056192.29 | 875140.08 | |
| N2-acetyl,N6,N6-dimethyllysine | 2010894.68 | 1518973.09 | |
| N2,N2-dimethylguanosine | 825102.92 | 840847.49 | |
| N6-carboxymethyllysine | 1007275.81 | 928324.56 | |
| N6-methyllysine | 75667528.86 | 64880635.02 | |
| N6,N6-dimethyllysine | 31581006.36 | 28544172.05 | |
| N6,N6,N6-trimethyllysine | 36177279.25 | 35785894.60 | |
| N-acetyl-1-methylhistidine* | 870508.88 | 995289.54 | |
| N-acetylarginine | 3983405.70 | 4331360.18 | |
| N-acetyl-aspartyl-glutamate (NAAG) | 181489.53 | 179336.55 | |
| N-acetylglucosamine/N-acetylgalactosamine | 533986.34 | 536403.82 | |
| N-acetylglucosaminylasparagine | 338004.58 | 347501.27 | |
| N-acetylglycine | 5073054.75 | 5441346.97 | |
| N-acetylhistidine | 537415.23 | 612560.62 | |
| N-acetylisoleucine | 443989.28 | 463618.28 | |
| N-acetyl-isoputreanine | 6611478.37 | 6556534.26 | |
| N-acetylneuraminate | 1855137.00 | 1830235.78 | |
| N-acetylproline | 735238.33 | 689034.77 | |
| N-acetylputrescine | 1933109.81 | 1981631.75 | |
| N-acetyltheanine | 1520638.21 | 2071374.84 | |
| N-alpha-acetylornithine | 128135.33 | 132520.53 | |
| N-carbamoylalanine | 215892.03 | 216201.22 | |
| N-ethylglycinexylidide | 6696781.50 | 13577809.62 | |
| nicotinamide | 3036399.02 | 3587938.99 | |
| nicotinamide N-oxide | 311095.62 | 475994.06 | |
| nicotinate | 1175524.10 | 53765524.91 | |
| nicotinate ribonucleoside | 6254854.01 | 25357862.30 | |
| nicotinurate (nicotinoylglycine) | 13343037.78 | 14300941.65 | |
| N-methylhydroxyproline** | 4344773.54 | 4047438.68 | |
| N-methylpipecolate | 1694628.75 | 1541296.97 | |
| N-methylproline | 91206355.89 | 70310665.52 | |
| N,N-dimethyl-5-aminovalerate | 930493.36 | 803687.70 | |
| N,N-dimethylalanine | 18982036.53 | 19167308.38 | |
| N,N,N-trimethyl-5-aminovalerate | 64307925.31 | 68452665.72 | |
| N,N,N-trimethyl-alanylproline betaine (TMAP) | 79158592.22 | 76946723.52 | |
| norcotinine | 395741.61 | 413796.39 | |
| O-desmethyltramadol | - | 20283686.00 | |
| O-desmethyltramadol glucuronide | - | 15585306.00 | |
| O-desmethylvenlafaxine | 93649423.60 | 48832019.38 | |
| ofloxacin | 17031694.27 | 16255514.87 | |
| ornithine | 389138346.34 | 377628964.78 | |
| phenylacetylcarnitine | 747055.73 | 855704.05 | |
| phenylacetylglutamine | 27036426.75 | 26310391.85 | |
| phenylalanine | 976289523.98 | 993347898.71 | |
| phosphate | 555026871.61 | 571963951.76 | |
| phosphoethanolamine | 3094716.29 | 2990472.87 | |
| picolinate | 1624158.90 | 1589347.35 | |
| pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) | 778173.48 | 754954.22 | |
| pioglitazone | 54040755.26 | 54083422.76 | |
| pipecolate | 91158727.54 | 102978516.42 | |
| pregabalin | 1199008002.00 | 1199008002.00 | |
| pro-hydroxy-pro | 17073837.23 | 18250322.93 | |
| proline | 2670550644.18 | 2679767576.33 | |
| prolylglycine | 2679817.29 | 2948817.54 | |
| propionylcarnitine (C3) | 44714542.00 | 46944951.42 | |
| quinine | 617008.71 | 969990.38 | |
| quinolinate | 743354.07 | 756646.32 | |
| (R)-3-hydroxybutyrylcarnitine | 2695788.59 | 2675932.75 | |
| ranitidine | 38009067.40 | 147307684.32 | |
| ranitidine N-oxide* | 1527929.88 | 7890261.15 | |
| S-1-pyrroline-5-carboxylate | 4274942.51 | 4510308.93 | |
| (S)-3-hydroxybutyrylcarnitine | 1853799.46 | 1800299.48 | |
| (S)-a-amino-omega-caprolactam | 727654.95 | 673641.15 | |
| S-allylcysteine | 2597355.46 | 2724197.28 | |
| sarcosine | 40455236.70 | 39338994.65 | |
| S-carboxyethylcysteine | 398918.53 | 431663.95 | |
| serine | 222955493.88 | 223187680.49 | |
| serotonin | 838919.50 | 839366.04 | |
| S-methylcysteine sulfoxide | 10925092.26 | 11096191.84 | |
| S-methylmethionine | 571722.83 | 695771.85 | |
| spermidine | 222287.03 | 196768.50 | |
| spermine | 203018.73 | 241035.60 | |
| stachydrine | 692126560.95 | 612306076.53 | |
| suberoylcarnitine (C8-DC) | 457532.75 | 390673.50 | |
| succinylcarnitine (C4-DC) | 1035729.91 | 1052413.49 | |
| tamsulosin | 1079470.12 | 1457001.52 | |
| taurine | 66526051.00 | 65815210.03 | |
| theobromine | 31502104.49 | 30692955.00 | |
| thioproline | 21589698.36 | 21925255.73 | |
| threonine | 436189607.47 | 439637294.85 | |
| tiglylcarnitine (C5:1-DC) | 1123760.78 | 1158727.55 | |
| topiramate | - | 198791721.00 | |
| tramadol | - | 15164346.00 | |
| trans-4-hydroxyproline | 66356980.20 | 69350144.85 | |
| triamterene | 12202945.08 | 7144340.40 | |
| trigonelline (N^-methylnicotinate) | 119497162.92 | 118347426.78 | |
| trimethoprim | 26713054.43 | 36439533.72 | |
| trimethylamine N-oxide | 92492067.68 | 88552810.08 | |
| tryptophan | 626586002.34 | 629484041.04 | |
| tryptophan betaine | 38234714.76 | 36523149.44 | |
| tyrosine | 278063832.83 | 282017645.24 | |
| urea | 259281550.29 | 262446157.55 | |
| X-11795 | 15574572.49 | 16903838.07 | |
| X-12096 | 623049.43 | 513317.52 | |
| X-12100 | 3213371.94 | 3250642.68 | |
| X-12101 | 4983218.79 | 4277825.88 | |
| X-12112 | 11798851.64 | 10645174.63 | |
| X-12117 | 1375452.21 | 1360390.38 | |
| X-12125 | 1753133.79 | 1124902.45 | |
| X-12126 | 281847.78 | 310982.27 | |
| X-12127 | 764111.98 | 789043.91 | |
| X-12199 | 295758.31 | 161470.42 | |
| X-12283 | 631499.41 | 738105.71 | |
| X-12462 | 47995941.40 | 48496355.08 | |
| X-12680 | 3243916.12 | 2923814.43 | |
| X-12689 | 516189.71 | 520327.03 | |
| X-12753 | 1145536.96 | 1564904.81 | |
| X-12798 | 2270920.19 | 2230764.17 | |
| X-13507 | 561907.98 | 501243.57 | |
| X-13684 | 1435193.72 | 1506718.25 | |
| X-14056 | 26858405.42 | 27807016.90 | |
| X-15461 | 3141558.19 | 3200799.35 | |
| X-15666 | 2261980.09 | 2277925.40 | |
| X-16397 | 774533.33 | 723123.74 | |
| X-16580 | 1694539.55 | 1630736.01 | |
| X-17301 | 1180319.62 | 1283398.23 | |
| X-17306 | 2824849.29 | 2452482.08 | |
| X-17346 | 1462372.40 | 1381450.36 | |
| X-21283 | 341438.74 | 355951.13 | |
| X-22162 | 3720573.61 | 3680305.89 | |
| X-23581 | 1653535.20 | 1497798.96 | |
| X-23583 | 2072310.18 | 2271432.44 | |
| X-23587 | 8323090.45 | 10909223.29 | |
| X-23593 | 2934143.94 | 2936989.03 | |
| X-23636 | 71270948.29 | 69544410.19 | |
| X-23639 | 17043516.49 | 17067070.51 | |
| X-23644 | 46770871.62 | 41900046.10 | |
| X-23648 | 258529.81 | 255741.50 | |
| X-23654 | 3033746.79 | 3046747.24 | |
| X-23655 | 5722340.08 | 5218082.59 | |
| X-23659 | 2564601.18 | 2453370.78 | |
| X-23665 | 1121040.66 | 1126917.33 | |
| X-23739 | 1200774.33 | 1167928.47 | |
| X-23780 | 1567946.53 | 1796406.58 | |
| X-23997 | 546602.43 | 492315.80 | |
| X-24243 | 2074081.79 | 1850289.32 | |
| X-24410 | 3084916.85 | 3176656.03 | |
| X-24411 | 1596959.66 | 1662214.15 | |
| X-24422 | 677550.38 | 738087.46 | |
| X-24425 | 377724.32 | 387670.15 | |
| X-24431 | 162932.85 | 156978.75 | |
| X-24456 | 246676.97 | 238226.04 | |
| X-24457 | 472152.35 | 348618.53 | |
| X-24462 | 136954.03 | 118911.81 | |
| X-24473 | 4156963.39 | 4006149.87 | |
| X-24474 | 992363.11 | 969213.51 | |
| X-24475 | 2467264.03 | 2250935.48 | |
| X-24699: ret for 64571 | 10836382.80 | 10724265.54 | |
| X-24728 | 751845.88 | 729341.81 | |
| X-24736 | 1469778.65 | 1390476.36 | |
| X-24764 | 978249.87 | 920987.98 | |
| X-24801 | 1749535.19 | 1785224.26 | |
| X-24811 | 457204.00 | 438059.98 | |
| X-24812 | 356349.00 | 454404.35 | |
| X-24970 | 34414561.51 | 25715615.45 | |
| X-24973 | 2798458.02 | 825163.56 | |
| X-25109 | 221097.19 | 209774.87 | |
| X-25172 | 13595958.33 | 14106448.39 | |
| X-25217 | 1839388.30 | 1500605.95 | |
| X-25265 | 2675593.04 | 2528471.27 | |
| X-25267 | 2779801.35 | 2892209.15 | |
| X-25271 | 11176635.49 | 9108339.74 | |
| X-25343 | 466448.48 | 478970.84 | |
| X-25417 | 1091659.72 | 1169344.67 | |
| X-25419 | 9206686.84 | 9068647.19 | |
| X-25420 | 1835765.01 | 1975669.85 | |
| X-25422 | 1883856.04 | 1945649.24 | |
| X-25423 | 727422.72 | 626870.67 | |
| X-25519 | 457632.59 | 495800.57 | |
| X-25520 | 1782827.17 | 1571479.13 | |
| X-25790 | 4569541.74 | 4309659.93 | |
| X-25810 | 6480684.68 | 9635507.94 | |
| X-25828 | 3185619.27 | 3302895.44 | |
| X-25855 | 406875.47 | 385258.56 | |
| X-25948 | 302308.82 | 276537.91 | |
| X-25951 | 2899927.27 | 1619919.15 | |
| X-25952 | 9318836.00 | - | |
| X-25957 | 2247296.24 | 2310429.61 | |
| X-26008 | 798838.63 | 1046135.89 | |
| X-26097 | 450355.48 | 433829.29 | |
| xanthurenate | 814085.63 | 834154.72 | |
| zolpidem | 7886660.60 | 5685741.72 |
Factors:
| F1 | Diagnosis:0 |
| F2 | Diagnosis:1 |
