Data for ST001639
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 1-methyl-4-imidazoleacetate | 5041701.39 | 4383296.72 | 5717286.00 | |
| 1-methyl-5-imidazoleacetate | 10486545.85 | 9398041.50 | 8355483.16 | |
| 1-methyladenosine | 3166236.53 | 2427938.37 | 2676417.75 | |
| 1-methylguanidine | 350269.63 | 273985.51 | 282109.65 | |
| 1-methylnicotinamide | 15048324.03 | 8747119.93 | 5450755.55 | |
| 1-methylurate | 803413.78 | 552977.35 | 481839.62 | |
| 1-methylxanthine | 1795143.82 | 977636.42 | 1129047.90 | |
| 1-ribosyl-imidazoleacetate* | 2122616.89 | 1606479.03 | 2110035.03 | |
| 2,3-dihydroxypyridine | 670168.31 | 462957.70 | 669824.20 | |
| 2-aminobutyrate | 187151103.48 | 190728288.10 | 208532102.67 | |
| 2-aminoheptanoate | 2437660.46 | 2459123.96 | 2347197.33 | |
| (2-butoxyethoxy)acetic acid | 703141.05 | 762314.30 | 315056.22 | |
| 2-furoylcarnitine | 513566.95 | 410627.98 | 360539.46 | |
| 2-hydroxyglutarate | 1284559.24 | 1106638.44 | 932338.11 | |
| 2-methylbutyrylcarnitine (C5) | 1712841.36 | 1709960.42 | 1960022.52 | |
| 2^-O-methylcytidine | 796614.47 | 668861.88 | 607479.52 | |
| 2-oxoarginine* | 2546911.31 | 1842075.41 | 1953557.98 | |
| 2-piperidinone | 38989742.66 | 53828153.30 | 37052977.50 | |
| 2-pyrrolidinone | 2245278.89 | 2000095.01 | 1897164.07 | |
| 3-amino-2-piperidone | 2664750.45 | 2357192.63 | 2188349.50 | |
| 3-aminoisobutyrate | 22046044.08 | 19760626.52 | 16774592.17 | |
| 3-(cystein-S-yl)acetaminophen* | 4919758.72 | 4284103.25 | 5046156.15 | |
| 3-hydroxyhexanoylcarnitine (1) | 605800.58 | 517083.82 | 750540.19 | |
| 3-hydroxypyridine glucuronide | 1091516.17 | 885827.16 | 621041.01 | |
| 3-hydroxystachydrine* | 16365650.12 | 21973477.00 | 32663673.50 | |
| 3-methoxytyrosine | 1131988.95 | 1157687.86 | 1213878.62 | |
| 3-methylcrotonylglycine | 306375.06 | 197839.88 | 135629.33 | |
| 3-methylcytidine | 273378.36 | 227608.67 | 184672.42 | |
| 3-methylglutarylcarnitine (2) | 2029294.91 | 1154028.26 | 1765495.66 | |
| 3-phosphoglycerate | 227268.53 | 231236.91 | 258499.60 | |
| 3-ureidopropionate | 779172.24 | 616102.52 | 580520.91 | |
| 4-acetamidophenol | 93754261.19 | 100347330.83 | 42924216.67 | |
| 4-guanidinobutanoate | 3678061.21 | 2275167.07 | 2213892.38 | |
| 4-hydroxyglutamate | 270390.30 | 233141.66 | 288407.46 | |
| 4-hydroxyphenylacetatoylcarnitine | 645811.85 | 273462.50 | 459015.20 | |
| 4-imidazoleacetate | 1217014.25 | 1120262.39 | 1126665.31 | |
| 5-(galactosylhydroxy)-L-lysine | 486956.34 | 260682.85 | 285909.07 | |
| 5-hydroxylysine | 2053334.77 | 1914551.82 | 2016687.82 | |
| 5-hydroxymethyl-2-furoylcarnitine* | 1413367.64 | 1256169.93 | 3605992.33 | |
| 5-methylthioadenosine (MTA) | 913702.38 | 860714.17 | 948361.27 | |
| 5-methylthioribose | 865842.71 | 390545.40 | 494172.71 | |
| 7-methylxanthine | 1848318.87 | 1727839.40 | 1858342.81 | |
| 8-methoxykynurenate | 486391.45 | 258958.23 | 322922.64 | |
| acetylcarnitine (C2) | 774329835.42 | 789066581.05 | 854605584.00 | |
| adenine | 495335.86 | 486627.18 | 595178.74 | |
| adipoylcarnitine (C6-DC) | 1082409.24 | 850399.62 | 765345.88 | |
| alanine | 835032302.29 | 825443123.85 | 873983146.67 | |
| alliin | 686760.87 | 879875.52 | 674895.25 | |
| alpha-hydroxymetoprolol | 1320847.26 | 1186724.62 | 220725.61 | |
| AMP | 847918.94 | 886635.61 | 2399104.55 | |
| anserine | 5276343.67 | 5321221.50 | - | |
| anthranilate | 399945.29 | 391536.02 | 451253.84 | |
| argininate* | 3142996.90 | 2302831.60 | 3009899.12 | |
| arginine | 900239259.30 | 900641811.38 | 943703978.67 | |
| ascorbate (Vitamin C) | 386450016.00 | - | - | |
| asparagine | 184997090.38 | 182053190.55 | 176802561.33 | |
| aspartate | 11118567.97 | 10931521.77 | 10489890.42 | |
| atenolol | 8147363.49 | 15481520.86 | - | |
| Benazeprilat | 23797941.25 | 8185984.34 | - | |
| benzoylcarnitine* | 175586.36 | 159334.04 | 412482.20 | |
| benzoylecgonine | 9828410.39 | 36402733.05 | 4207629.50 | |
| beta-alanine | 24612197.16 | 25314545.97 | 25141700.83 | |
| beta-guanidinopropanoate | 718918.89 | 738795.84 | 878158.99 | |
| beta-hydroxyisovaleroylcarnitine | 3953432.47 | 2107247.59 | 2124521.27 | |
| betaine | 1904562631.08 | 1858564067.76 | 1643189248.00 | |
| betonicine | 13247667.40 | 10901084.71 | 3451493.83 | |
| butyrylcarnitine (C4) | 15387146.44 | 15391343.79 | 19939867.33 | |
| caffeine | 82140760.38 | 76559082.80 | 67796877.85 | |
| carbamazepine 10,11-epoxide* | 62649666.50 | 62649668.00 | - | |
| carboxyethyl-GABA | 181917.06 | 175771.38 | 191469.84 | |
| carnitine | 2326553776.00 | 2306452863.32 | 2440200874.67 | |
| carnosine | 20572736.00 | - | - | |
| choline | 550505670.29 | 552334626.57 | 535104400.00 | |
| citrulline | 244898438.00 | 244799303.75 | 232287225.33 | |
| cotinine | 12237622.54 | 9647883.28 | 10849106.73 | |
| cotinine N-oxide | 452895.63 | 308986.34 | 298082.36 | |
| creatinine | 1697743553.95 | 1677484484.11 | 1669418826.67 | |
| cyclo(gly-pro) | 227061.43 | 178902.62 | 207164.74 | |
| cys-gly, oxidized | 2329765.72 | 2281775.48 | 2414465.44 | |
| cystathionine | 609017.04 | 600444.42 | 572770.55 | |
| cysteine | 6152735.77 | 5914559.27 | 6339435.95 | |
| cysteine-glutathione disulfide | 3721186.89 | 3806961.11 | 4124399.32 | |
| cysteinylglycine | 1179438.77 | 1154272.82 | 1342609.64 | |
| cysteinylglycine disulfide* | 50217622.11 | 47926326.15 | 49611508.17 | |
| cystine | 89835153.64 | 91562748.78 | 114352372.00 | |
| cytosine | 728503.07 | 660996.27 | 759859.12 | |
| deoxycarnitine | 72287065.18 | 74944057.06 | 74585135.00 | |
| dexpanthenol | 1425202.44 | 1573071.67 | 1018529.90 | |
| dimethylarginine (ADMA + SDMA) | 53693121.50 | 46143083.39 | 47570841.00 | |
| dimethylglycine | 51879668.29 | 51760252.52 | 49998727.00 | |
| dimethylguanidino valeric acid (DMGV)* | 1531133.46 | 1170530.89 | 1905817.04 | |
| dimethyl sulfone | 10856822.24 | 9191755.98 | 53574192.27 | |
| doxycycline | 1168167.51 | 3348191.50 | - | |
| doxylamine | 2459881.80 | 1707526.94 | - | |
| ectoine | 4215049.95 | 4146370.92 | 3362958.38 | |
| EDTA | 9742285322.68 | 9508285646.93 | 9041095509.33 | |
| formiminoglutamate | 1205901.08 | 1013969.30 | 829576.13 | |
| fructosyllysine | 16990755.36 | 16725463.53 | 16870466.17 | |
| gamma-carboxyglutamate | 1041047.22 | 601678.05 | 600502.29 | |
| gamma-glutamyl-2-aminobutyrate | 201353.35 | 213066.58 | 242379.82 | |
| gamma-glutamylalanine | 624809.83 | 570461.71 | 668842.33 | |
| gamma-glutamyl-alpha-lysine | 3650158.73 | 3455118.82 | 3318062.85 | |
| gamma-glutamylcitrulline* | 949512.91 | 949270.08 | 881989.77 | |
| gamma-glutamylglutamate | 488351.81 | 483332.69 | 388914.66 | |
| gamma-glutamylglutamine | 26141681.53 | 25810630.75 | 25886239.67 | |
| gamma-glutamylglycine | 4901960.17 | 4812339.11 | 4516025.58 | |
| gamma-glutamylhistidine | 738903.05 | 668545.71 | 660206.78 | |
| gamma-glutamylisoleucine* | 588505.93 | 424055.78 | 407969.07 | |
| gamma-glutamylleucine | 2252304.19 | 2191768.17 | 2059788.25 | |
| gamma-glutamylmethionine | 933882.16 | 933617.92 | 890785.15 | |
| gamma-glutamylthreonine | 2009919.73 | 1971349.72 | 2066215.11 | |
| gamma-glutamyltryptophan | 107843.95 | 110546.91 | 108919.52 | |
| glutamate | 352521706.93 | 346701777.19 | 311456412.00 | |
| glutamine | 3237130319.63 | 3173673301.56 | 3217552064.00 | |
| glutarylcarnitine (C5-DC) | 3642777.47 | 3479235.55 | 3054296.14 | |
| glutathione, oxidized (GSSG) | 112082.48 | 475570.33 | 154485.83 | |
| glycerol 3-phosphate | 414919.07 | 290033.20 | 315507.03 | |
| glycerophosphoethanolamine | 1741077.93 | 1729909.46 | 1637848.03 | |
| glycerophosphoglycerol | 16764792.00 | - | - | |
| glycerophosphorylcholine (GPC) | 41977098.92 | 43572793.95 | 42807323.67 | |
| glycine | 122607028.73 | 122479761.69 | 114602751.33 | |
| glycylleucine | 90729.84 | 88605.51 | 83436.22 | |
| guaifenesin | - | 9866131.00 | - | |
| guanidinosuccinate | 548182.96 | 388548.44 | 478053.03 | |
| hexanoylcarnitine (C6) | 2826915.74 | 2981318.07 | 3301106.98 | |
| histidine betaine (hercynine)* | 137305.69 | 143445.69 | 177469.86 | |
| homoarginine | 19750516.66 | 20578479.13 | 18057044.08 | |
| homostachydrine* | 15077227.61 | 15019942.89 | 11624811.17 | |
| hydroxyasparagine | 2362758.33 | 1756954.66 | 1879555.02 | |
| hydroxycotinine | 3524520.43 | 3106511.48 | 2993284.73 | |
| hydroxy-N6,N6,N6-trimethyllysine* | 2449946.54 | 1560347.94 | 1585958.41 | |
| hydroxyproline | 102201414.96 | 100565012.92 | 148411001.67 | |
| imidazole lactate | 8436428.41 | 7539557.07 | 8077250.50 | |
| imidazole propionate | 1456499.12 | 1214449.20 | 890246.18 | |
| iminodiacetate (IDA) | 89244233.10 | 83284561.16 | 81868219.83 | |
| indoleacetoylcarnitine* | 452299.82 | 334516.44 | 276112.52 | |
| indolin-2-one | 455302.25 | 413430.58 | 532209.93 | |
| isobutyrylcarnitine (C4) | 18313611.92 | 13969420.21 | 19049241.17 | |
| isoleucine | 1403857937.34 | 1399545829.99 | 1389264394.67 | |
| isovalerylcarnitine (C5) | 4841954.93 | 4587790.64 | 4953475.67 | |
| kynurenate | 5105746.09 | 2789452.27 | 3185021.31 | |
| lanthionine | 706475.06 | 336078.35 | 280864.12 | |
| leucine | 1405861576.43 | 1401058967.44 | 1386635712.00 | |
| leucylalanine | 1742141.59 | 1581559.31 | 1207606.39 | |
| leucylglycine | 148343.36 | 142533.72 | 135051.99 | |
| levetiracetam | - | 2389623808.00 | - | |
| levulinoylcarnitine | 1320182.25 | 979201.93 | 1241985.55 | |
| lysine | 1226840612.64 | 1200760108.49 | 1225278320.00 | |
| meprobamate | - | 33136548.00 | - | |
| metformin | 2225802235.44 | 916821916.39 | 4773073000.00 | |
| methamphetamine | 14758210.00 | - | - | |
| methionine | 629078306.44 | 632215898.70 | 621027074.67 | |
| methionine sulfone | 2390965.67 | 2257036.91 | 3004818.58 | |
| methionine sulfoxide | 10880851.57 | 11120908.99 | 11457891.08 | |
| methyl indole-3-acetate | 379645.85 | 399108.22 | 386931.15 | |
| methylphosphate | 798925.66 | 877972.18 | 702147.17 | |
| methylsuccinoylcarnitine | 413195.06 | 334589.71 | 442319.12 | |
| metoprolol | 5022704.03 | 4910941.65 | 1083448.80 | |
| metoprolol acid metabolite* | 23625803.04 | 28304198.42 | 5091854.50 | |
| metronidazole | 2162061824.00 | 2162061824.00 | - | |
| minocyclin | - | 18551636.00 | - | |
| N(^1)-acetylspermidine | 1464853.96 | 791588.82 | 794226.27 | |
| N1-methylinosine | 561679.48 | 340908.99 | 471613.98 | |
| N2-acetyl,N6-methyllysine | 853363.02 | 763772.18 | 627040.00 | |
| N2-acetyl,N6,N6-dimethyllysine | 1370695.14 | 1150535.53 | 906829.86 | |
| N2,N2-dimethylguanosine | 873537.71 | 462951.81 | 469809.82 | |
| N6-methyllysine | 108731660.34 | 107602307.61 | 101916612.33 | |
| N6,N6-dimethyllysine | 36590682.09 | 34281651.15 | 32725659.75 | |
| N6,N6,N6-trimethyllysine | 46284048.30 | 41803715.70 | 34637952.50 | |
| N-acetyl-1-methylhistidine* | 595617.02 | 527563.74 | 255752.56 | |
| N-acetylalliin | 489516.36 | 734573.71 | 374073.40 | |
| N-acetylarginine | 4221111.87 | 3002275.03 | 2646935.89 | |
| N-acetylasparagine | 672274.93 | 296691.55 | 343824.22 | |
| N-acetyl-aspartyl-glutamate (NAAG) | 102807.31 | 74091.37 | 77943.78 | |
| N-acetylglucosamine/N-acetylgalactosamine | 375910.18 | 276737.50 | 255890.61 | |
| N-acetylglucosaminylasparagine | 287934.89 | 227688.22 | 248709.11 | |
| N-acetylglutamate | 463956.10 | 332551.71 | 332855.18 | |
| N-acetylhistamine | 4694493.30 | 509654.93 | 265608.72 | |
| N-acetylneuraminate | 1182493.56 | 953384.44 | 983334.31 | |
| N-acetylproline | 700836.87 | 622635.94 | 688718.89 | |
| N-acetylputrescine | 3303841.97 | 2287806.06 | 2456263.73 | |
| N-acetyl sulfapyridine | - | 502955200.00 | - | |
| nicotinamide | 7115566.56 | 7744351.11 | 5872387.58 | |
| nicotinamide N-oxide | - | 9319471.00 | - | |
| nicotinate | 22488525.37 | 22831423.58 | 17097557.58 | |
| nicotinate ribonucleoside | 992725.82 | 954900.63 | 677335.25 | |
| nicotine | 595368.60 | 439421.19 | 428872.44 | |
| N-methylpipecolate | 24038538.63 | 23423565.04 | 24405834.83 | |
| N-methylproline | 219913755.33 | 239534267.09 | 213870889.00 | |
| N,N-dimethyl-5-aminovalerate | 805566.66 | 540431.78 | 3876537.82 | |
| N,N-dimethylalanine | 32436876.92 | 31371069.29 | 29970971.33 | |
| N,N,N-trimethyl-5-aminovalerate | 80528738.60 | 80609702.18 | 104948858.33 | |
| norbenzoylecgonine* | 498953.84 | 921337.11 | - | |
| norcotinine | 410896.60 | 343220.91 | 316675.33 | |
| O-desmethyltramadol | 11849752.83 | 3726730.57 | - | |
| olanzapine | 3182548.00 | - | - | |
| ornithine | 490057487.14 | 480552483.81 | 442438186.67 | |
| phenylacetylcarnitine | 908792.95 | 871801.27 | 1034562.56 | |
| phenylacetylglutamine | 31045636.94 | 22608542.79 | 28543925.33 | |
| phenylalanine | 1155604878.17 | 1154336957.78 | 1147639525.33 | |
| phenylalanylalanine | 116682.76 | 121101.94 | 116909.43 | |
| phenylalanylglycine | 133600.22 | 116253.27 | 120654.44 | |
| phenylpropanolamine | 50446196.00 | - | - | |
| phosphate | 261088866.75 | 247591733.37 | 259423190.67 | |
| phosphocholine | 2122220.41 | 2139865.07 | 2253219.47 | |
| phosphoethanolamine (PE) | 2043339.42 | 1990328.13 | 2175216.85 | |
| picolinate | 1879888.13 | 1827137.07 | 1643544.54 | |
| picolinoylglycine | 2303311.02 | 1541282.67 | 1107881.76 | |
| pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) | 523944.78 | 373182.82 | 388769.34 | |
| pipecolate | 131192262.31 | 109871466.33 | 172356371.00 | |
| pregabalin | - | 171953152.00 | - | |
| proline | 2891883052.49 | 2981047762.14 | 3086129066.67 | |
| prolylglycine | 1830157.51 | 1822423.17 | 2361837.26 | |
| prolylhydroxyproline | 14194719.48 | 11569716.29 | 14163358.79 | |
| propionylcarnitine (C3) | 42434514.39 | 39848876.99 | 45124837.67 | |
| pseudoephedrine | 128090198.23 | 2135797.85 | 366235.80 | |
| pyridoxal | 3164892.42 | 2865489.83 | 2021028.17 | |
| pyridoxine (Vitamin B6) | 18155408.00 | 18155408.00 | - | |
| pyroglutamine* | 327307481.66 | 313641683.06 | 291018741.33 | |
| quinine | 3617955.33 | 439640.85 | 2578101.25 | |
| quinolinate | 970230.51 | 832304.50 | 945874.89 | |
| (R)-3-hydroxybutyrylcarnitine | 2833718.72 | 2987883.95 | 2881731.17 | |
| ranitidine | 31238538.16 | 72579907.70 | 439586.60 | |
| ranitidine N-oxide* | 3449113.21 | 4054318.68 | 105626.87 | |
| ritalinic acid | 10572633.00 | - | - | |
| S-1-pyrroline-5-carboxylate | 2977057.15 | 3115777.84 | 3437261.83 | |
| (S)-3-hydroxybutyrylcarnitine | 1865860.43 | 1820690.28 | 3103566.83 | |
| (S)-a-amino-omega-caprolactam | 1498743.26 | 637003.44 | 637654.58 | |
| S-allylcysteine | 2154989.27 | 2525553.40 | 1920423.32 | |
| sarcosine | 28743133.05 | 28098415.87 | 28284297.08 | |
| S-carboxyethylcysteine | 541084.08 | 370419.21 | 463780.13 | |
| serine | 165935859.63 | 163843973.90 | 160713059.33 | |
| serotonin | 809514.13 | 768692.12 | 862104.97 | |
| S-methylcysteine sulfoxide | 13139710.69 | 12482185.48 | 20610340.58 | |
| S-methylmethionine | 1447480.92 | 1596128.09 | 1032895.84 | |
| spermidine | 108454.59 | 107383.97 | 128621.70 | |
| stachydrine | 488641567.02 | 551448937.01 | 545321400.00 | |
| suberoylcarnitine (C8-DC) | 772546.54 | 517450.38 | 485938.46 | |
| succinylcarnitine (C4-DC) | 1097037.56 | 871299.76 | 898530.15 | |
| taurine | 53807031.26 | 52533745.35 | 56572922.67 | |
| tetramisole | 2478334.42 | 4228313.68 | 1178446.50 | |
| theanine | 50009217.00 | 53812826.50 | - | |
| theobromine | 18099659.41 | 19814926.52 | 17446900.98 | |
| theophylline | 5668206.50 | 5577112.29 | 3895552.33 | |
| thioproline | 11411997.84 | 11322453.59 | 11161338.92 | |
| threonine | 700837972.82 | 701232829.01 | 771420205.33 | |
| tigloylglycine | 1393795.74 | 500973.81 | 316408.65 | |
| tiglyl carnitine (C5) | 1390879.52 | 1184192.09 | 1457228.68 | |
| tramadol | 7181028.70 | 3212202.35 | - | |
| triamterene | 21355243.75 | 19921036.67 | - | |
| trigonelline (N^-methylnicotinate) | 112396672.08 | 84896289.81 | 105369270.50 | |
| trimethylamine N-oxide | 80571177.24 | 79127566.62 | 72212315.17 | |
| trizma acetate | 42773912.00 | 42773912.00 | - | |
| tryptophan betaine | 41176049.28 | 36998034.74 | 27838275.73 | |
| urea | 677909921.47 | 619744069.73 | 728741760.00 | |
| valine | 3270426718.78 | 3253755380.71 | 3243989824.00 | |
| valylleucine | 170931.48 | 161195.19 | 145176.47 | |
| zolpidem | 9754329.57 | 6777248.93 | 5242265.00 |
Factors:
| F1 | COPD:case |
| F2 | COPD:control |
| F3 | COPD:NA |
