Data for ST001317
Metabolite structure | All data | F1 | F2 | F3 | F4 |
---|---|---|---|---|---|
1-Aminocyclopropanecarboxylate | 67058.77 | 68071.54 | 68793.43 | 45453.72 | |
1-Methyladenosine | 17440.78 | 23625.29 | 17216.23 | 17061.16 | |
1-Methyluric Acid | 132916.09 | 394461.25 | 146818.21 | 268538.58 | |
2-Aminoisobutyrate | 121174.38 | 71370.37 | 123945.65 | 118201.76 | |
2-Deoxy-D-Glucose | 267685.40 | 308880.36 | 325203.06 | 215080.87 | |
2-Hydroxypyridine | 12280.19 | 13604.58 | 9696.81 | 13221.10 | |
3-Amino-4-Hydroxybenzoate | 70375.16 | 57892.46 | 56703.82 | 42238.25 | |
3-Hydroxyanthranilic acid | 48160.47 | 67889.93 | 47289.66 | 40402.98 | |
3-Hydroxybenzaldehyde | 15194.70 | 11259.89 | 16388.39 | 7014.94 | |
3-Nitro-L-Tyrosine | 93322.41 | 82704.09 | 103781.28 | 71917.88 | |
4-Acetamidobutanoate | 960016.70 | 736684.95 | 1103383.83 | 837090.16 | |
4-Aminobenzoate/Anthranilate | 2464.12 | 2841.59 | 2793.75 | 2765.49 | |
4-Guanidinobutanoate | 11214.96 | 7382.61 | 6861.52 | 25651.22 | |
4-Hydroxy-4-(3-pyridyl)butanoic acid | 2917273.60 | 2281629.16 | 3352001.37 | 1580449.91 | |
4-Pyridoxic acid | 249591.89 | 564466.12 | 321277.83 | 503410.23 | |
6-Hydroxynicotinate | 3763.11 | 3909.18 | 2301.21 | 4396.17 | |
7-Methylguanine | 1158846.45 | 1338244.40 | 1258811.03 | 1360386.00 | |
Adenosine 2^,3^-Cyclic Phosphate | 62889.18 | 61294.19 | 72625.93 | 19475.67 | |
Alanine | 85216.48 | 94361.88 | 79372.74 | 148747.42 | |
Allantoin | 105474.84 | 56032.92 | 97761.40 | 57751.88 | |
Allothreonine/L-Threonine | 87260.97 | 76790.07 | 98752.91 | 111088.33 | |
Aminoadipate | 78620.81 | 38825.98 | 81615.21 | 58404.23 | |
Aminocaproate/Adenine | 107143.70 | 101228.98 | 89127.65 | 68400.73 | |
Asparagine | 7596.57 | 5278.13 | 8158.87 | 3512.99 | |
Aspartate | 78545.45 | 40231.17 | 81650.58 | 164730.61 | |
Beta-alanine methyl ester | 2321428.67 | 1766264.22 | 2564913.77 | 2188054.63 | |
Betaine | 1546426.11 | 1511415.81 | 1696623.13 | 2462862.27 | |
Biopterin | 132683.59 | 58068.92 | 144782.79 | 93237.12 | |
Caffeine | 37600.24 | 367631.56 | 34988.84 | 119166.15 | |
Carnitine | 10725826.03 | 16997309.39 | 13076368.64 | 15928452.76 | |
Carnosine | 2140.27 | 2103.83 | 2276.91 | 3598.01 | |
cis-4-hydroxy-D-proline | 83368.85 | 131792.69 | 69495.39 | 66971.69 | |
Citrulline | 146262.08 | 126936.68 | 170203.09 | 133618.31 | |
Cortisol | 6400.07 | 5398.71 | 5347.89 | 4502.37 | |
Cotinine N-oxide | - | 616553.29 | - | 249152.90 | |
Creatinine | 348918.73 | 399412.68 | 325432.47 | 498233.86 | |
Cyclic AMP | 66190.21 | 64027.98 | 73066.76 | 19452.29 | |
Cyclic GMP | 15472.00 | 9981.90 | 16171.01 | 11828.66 | |
D-Glucuronolactone | 8216.54 | 4839.84 | 7215.43 | 6783.17 | |
Didecanoyl-Glycerophosphocholine | 3620.04 | 5331.68 | 2339.33 | 5724.75 | |
Dihydrouracil | 2290.97 | 1691.20 | 2356.60 | 2498.74 | |
Dimethylglycine | 4349973.16 | 1367499.51 | 5072580.29 | 2827787.09 | |
D/L N-Acetylmannosamine | 84936.52 | 129859.38 | 106298.68 | 120334.98 | |
Ectoine | 94481.22 | 83187.03 | 76381.28 | 78722.61 | |
Ethanolamine phosphate | 21338.26 | 14032.93 | 16223.94 | 8862.50 | |
Galactitol | 14084.63 | 13175.93 | 9074.20 | 12925.69 | |
Galacturonate | 6246.36 | 14896.25 | 5526.53 | 10072.05 | |
Gamma-aminobutyrate | 4243113.29 | 1437793.67 | 5048596.35 | 2865055.37 | |
Gluconate | 11546.16 | 15705.21 | 9049.52 | 51179.25 | |
Glucose | 3770.65 | 2751.75 | 2378.00 | 4069.52 | |
Glycochenodeoxycholate | 128466.92 | 70876.52 | 139756.55 | 123873.97 | |
Guanine | 19767.76 | 19411.32 | 21785.47 | 15352.56 | |
Guanosine | 10884.67 | 32162.37 | 7035.30 | 21371.73 | |
Hippurate | 2462842.79 | 2788479.17 | 2815769.83 | 2532645.12 | |
Homoserine | 11520.71 | 10830.97 | 12094.90 | 12492.38 | |
Hypoxanthine | 1704322.72 | 1270214.93 | 1935703.79 | 1352088.47 | |
Indole-3-Acetate | 4566.80 | 2815.41 | 5435.70 | 3655.65 | |
Inosine | 158556.73 | 67947.84 | 181112.17 | 89515.17 | |
Kynurenic acid | 1692081.83 | 1297218.15 | 1756035.10 | 989790.15 | |
Kynurenine | 221721.06 | 96533.83 | 197005.02 | 108214.98 | |
Lactose | 14573.94 | 10513.96 | 15238.53 | 7194.17 | |
L-Arginine | 60904.74 | 62856.10 | 59938.02 | 22236.30 | |
L-Glutamic Acid | 844912.26 | 777364.48 | 947162.12 | 38715.76 | |
L-Isoleucine | 1440869.72 | 782440.04 | 1217998.97 | 1013557.50 | |
L-Leucine | 1456340.94 | 783517.62 | 1476667.97 | 480132.55 | |
L-Lysine | 72605.72 | 79616.80 | 71126.98 | 69206.78 | |
L-Phenylalanine | 869153.81 | 377448.07 | 545945.20 | 199037.79 | |
L-Proline | 759137.86 | 792878.94 | 839236.53 | 568574.90 | |
L-Serine | 91454.69 | 116507.27 | 103493.66 | 61337.66 | |
L-Tyrosine | 83229.72 | 134587.41 | 73989.46 | 128891.53 | |
L-Valine/Methyl 4-Aminobutyrate | 13825282.75 | 11042158.00 | 15117888.95 | 22824284.84 | |
Methylpicolinate | 15975.43 | 4136.55 | 19931.57 | 5965.56 | |
Methylthioadenosine | 17704.00 | 25594.08 | 17467.63 | 28808.64 | |
Methyl Vanillate | 9073.05 | - | 2346.38 | - | |
N6-(Delta2-Isopentenyl)-Adenine | 4513315.93 | 6420265.77 | 5439526.86 | 6282866.12 | |
N-Acetylasparagine | 206340.95 | 144702.93 | 223876.60 | 214140.90 | |
N-Acetylaspartate | 119176.93 | 88592.35 | 132284.65 | 82013.53 | |
N-Acetylcysteine | 14056.47 | 37146.84 | 13294.85 | 31360.09 | |
N-Acetylglutamate | 135090.80 | 132179.05 | 141223.25 | 107022.69 | |
N-Acetylglycine | 6782.01 | 2501.16 | 4228.53 | 7270.97 | |
N-Acetylneuraminate | 1252837.76 | 1457535.16 | 1450429.63 | 1278002.95 | |
N-Acetylphenylalanine | 22714.29 | 5783.25 | 7037.81 | 8302.74 | |
N-Acetyltryptophan | 54974.10 | 16099.49 | 56308.45 | 29495.04 | |
Nicotine | 80226.25 | 1694447.73 | 24838.64 | 996613.56 | |
Nicotinic acid | 8870.54 | 14013.49 | 13229.60 | 52771.60 | |
N-Methyl-D-aspartic acid | 887235.40 | 716497.01 | 922573.78 | - | |
N-Methylglutamate | 13002.05 | 20283.10 | 13003.45 | 15995.06 | |
Norleucine | 369372.18 | 232132.09 | 307118.39 | 391901.65 | |
Norvaline | 1104204.62 | 907949.15 | 948956.04 | 896396.47 | |
O-Acetylcarnitine | 17852.62 | 11759.80 | 18080.73 | 548103.74 | |
Octopamine | 487017.54 | 355060.02 | 498080.54 | 502891.06 | |
Pantothenate | 596203.41 | 298210.94 | 642091.50 | 422196.72 | |
Phenylacetylglutamine | 25981917.41 | 26883140.28 | 30873447.38 | 30605019.72 | |
Phosphorylcholine | 15890.58 | 5747.69 | 8742.26 | 4871.02 | |
Pipecolate | 81608.35 | 111043.88 | 81784.70 | 130403.87 | |
Pyroglutamate/Oxoproline | 737029.56 | 762195.96 | 810817.11 | 854249.54 | |
Riboflavin | 151301.83 | 50629.56 | 155375.20 | 90647.49 | |
S-Carboxymethylcysteine | 24190.09 | 28467.17 | 35259.17 | 19048.38 | |
Sepiapterin | 29328.36 | 4590.52 | 33046.19 | 25655.15 | |
S-Hexyl-Glutathione | 15258.10 | 11310.05 | 8783.57 | 4851.94 | |
Sucrose | 90954.62 | 141751.26 | 136419.86 | 107354.52 | |
Theobromine /Theophylline/ Paraxanthine | 521076.69 | 1115237.46 | 555399.96 | 637498.69 | |
trans-4-hrdroxy-L-proline | 27895.94 | 21458.09 | - | - | |
Trehalose | 114367.34 | 77166.83 | 117879.99 | 70769.69 | |
Trigonelline | 76320.04 | 157653.92 | 51311.56 | 74076.26 | |
Tryptophan | 2786750.56 | 2319608.41 | 3282665.42 | 2147512.02 | |
Uracil | 6051.55 | 4334.48 | 5315.87 | 4443.52 | |
Ureidopropionate | 449608.38 | 429968.07 | 513634.03 | 467848.50 | |
Uric acid | 1241068.49 | 2009668.11 | 1494816.47 | 1596538.26 | |
Xanthine | 215881.64 | 187532.70 | 216278.01 | 185846.18 | |
Xanthosine | 195634.25 | 171343.76 | 222787.71 | 207741.01 | |
Xanthurenate | 230191.69 | 185262.59 | 226571.45 | 242381.82 |
Factors:
F1 | SampleType:CHEAR Study Sample |
F2 | SampleType:NIST_3672 |
F3 | SampleType:Study Sample Pooled QC |
F4 | SampleType:UT_CHEAR_UrinePool |