Data for ST000062
| Metabolite structure | All data | F1 | F2 |
|---|---|---|---|
| 1,5-anhydroglucitol | 34471.50 | 36599.54 | |
| 1-monoolein | 1074.98 | 1051.64 | |
| 1-monopalmitin | 325.28 | 363.90 | |
| 1-monostearin | 240.14 | 277.10 | |
| 2,3-dihydroxybutanoic acid NIST | 145.53 | 158.29 | |
| 2,3-dihydroxypyridine | 201.44 | 236.50 | |
| 2,4-diaminobutyric acid minor1 | 1016.58 | 1150.58 | |
| 2-deoxytetronic acid | 1812.42 | 1939.11 | |
| 2-hydroxybutanoic acid | 20083.01 | 22872.30 | |
| 2-hydroxyglutaric acid | 133.32 | 152.83 | |
| 2-hydroxyvaleric acid | 937.69 | 1091.37 | |
| 2-ketoisocaproic acid | 3767.44 | 6306.33 | |
| 3-aminoisobutyric acid | 523.61 | 531.74 | |
| 3-hydroxybutyric acid | 17502.29 | 24088.60 | |
| 3-phosphoglycerate | 143.95 | 219.13 | |
| aconitic acid | 177.69 | 197.20 | |
| adenosine-5-monophosphate | 193.00 | 314.41 | |
| alanine | 158744.37 | 158092.78 | |
| alloxanoic acid NIST | 445.57 | 612.18 | |
| alpha-ketoglutarate | 149.89 | 207.48 | |
| aminomalonate | 2277.92 | 2743.08 | |
| arachidonic acid | 2272.19 | 2026.67 | |
| asparagine | 1361.93 | 1537.09 | |
| aspartic acid | 919.12 | 1524.86 | |
| azelaic acid | 109.07 | 125.42 | |
| behenic acid | 603.12 | 738.51 | |
| benzoic acid | 3118.78 | 3231.08 | |
| beta-alanine | 255.29 | 252.79 | |
| beta-sitosterol | 233.76 | 248.64 | |
| butane-2,3-diol NIST | 722.57 | 1806.01 | |
| capric acid | 375.78 | 450.36 | |
| caprylic acid | 1020.82 | 1077.61 | |
| cholesterol | 29305.95 | 26821.42 | |
| citric acid | 27755.53 | 30968.27 | |
| citrulline | 390.99 | 412.56 | |
| conduritol-beta-epoxide | 219.43 | 263.56 | |
| creatinine | 1874.93 | 1872.83 | |
| cysteine | 1076.52 | 913.98 | |
| cysteine-glycine | 190.87 | 210.61 | |
| cystine | 3693.64 | 4157.72 | |
| dodecanol | 193.19 | 210.42 | |
| erythritol | 1057.30 | 1246.28 | |
| ethanolamine | 7290.52 | 9503.10 | |
| fructose | 9101.04 | 7561.63 | |
| fucose 1 | 675.93 | 770.85 | |
| fumaric acid | 209.51 | 263.81 | |
| gluconic acid | 148.25 | 163.22 | |
| glucose | 252610.91 | 295251.42 | |
| glutamic acid | 4092.28 | 8701.34 | |
| glutamine | 34824.84 | 39902.94 | |
| glutaric acid | 94.54 | 80.93 | |
| glyceric acid | 2561.52 | 2754.64 | |
| glycerol | 27027.66 | 31981.88 | |
| glycerol-3-galactoside | 634.35 | 533.11 | |
| glycerol-alpha-phosphate | 601.72 | 511.68 | |
| glycine | 29972.65 | 30592.05 | |
| glycolic acid | 997.93 | 1069.26 | |
| heptadecanoic acid | 2588.32 | 3301.11 | |
| hexitol | 493.84 | 652.51 | |
| hexuronic acid | 1133.07 | 1255.70 | |
| hippuric acid | 1007.53 | 899.47 | |
| histidine | 8873.38 | 8811.98 | |
| hydroxycarbamate NIST | 613.01 | 645.07 | |
| hydroxylamine | 2889.11 | 2618.67 | |
| hypoxanthine | 3107.55 | 1318.44 | |
| indole-3-acetate | 922.28 | 969.58 | |
| indole-3-lactate | 655.52 | 723.43 | |
| isocitric acid | 496.83 | 585.99 | |
| isoheptadecanoic acid NIST | 639.36 | 756.14 | |
| isoleucine | 40689.85 | 42203.71 | |
| isothreonic acid 1 | 632.98 | 726.66 | |
| lactamide | 845.50 | 597.63 | |
| lactic acid | 163581.08 | 181827.79 | |
| lactulose | 191.05 | 229.82 | |
| lauric acid | 3955.37 | 4939.13 | |
| leucine | 69147.60 | 69555.35 | |
| levoglucosan | 209.05 | 227.14 | |
| linoleic acid | 3020.42 | 3023.32 | |
| lysine | 37448.79 | 37452.26 | |
| lyxitol | 977.67 | 1246.10 | |
| maleimide | 371.24 | 465.72 | |
| malic acid | 265.41 | 304.71 | |
| maltose 1 | 218.37 | 406.58 | |
| mannitol | 1286.97 | 1993.73 | |
| mannose | 14561.42 | 16363.58 | |
| methionine | 2077.60 | 2372.11 | |
| methionine sulfoxide | 2122.37 | 1981.63 | |
| myo-inositol | 7512.80 | 9146.76 | |
| myristic acid | 13678.13 | 16039.28 | |
| N-acetyl-5-hydroxytryptamine | 61508.90 | 64817.93 | |
| n-acetylglutamate | 456.76 | 424.21 | |
| N-acetylglycine NIST | 200.21 | 272.75 | |
| N-acetylornithine | 2550.55 | 3490.28 | |
| nicotinamide | 149.56 | 446.80 | |
| nicotinic acid | 2253.59 | 2573.59 | |
| N-methylalanine | 10591.43 | 11474.95 | |
| octadecanol | 170.74 | 216.61 | |
| oleic acid | 9325.64 | 10707.81 | |
| ornithine 4tms | 21824.56 | 24189.93 | |
| oxalic acid | 34826.07 | 45761.39 | |
| oxoproline | 134377.01 | 105594.66 | |
| palmitic acid | 34224.08 | 41053.28 | |
| palmitoleic acid | 6338.11 | 7881.68 | |
| parabanic acid NIST | 2515.17 | 3446.52 | |
| p-cresol | 64946.85 | 68849.96 | |
| pelargonic acid | 7136.62 | 8024.05 | |
| phenylalanine | 15162.06 | 15496.52 | |
| phenylethylamine | 264.68 | 250.96 | |
| phosphate | 55384.43 | 58377.35 | |
| phosphoethanolamine | 150.93 | 161.57 | |
| pipecolinic acid | 284.60 | 251.48 | |
| piperidone | 151.06 | 246.95 | |
| proline | 45931.08 | 38415.14 | |
| pseudo uridine | 1284.11 | 1465.96 | |
| pyrophosphate | 2220.32 | 3360.34 | |
| pyruvic acid | 3010.07 | 1531.99 | |
| quinic acid | 540.35 | 646.46 | |
| ribitol | 337.96 | 521.36 | |
| ribonic acid | 225.14 | 259.05 | |
| ribose | 190.47 | 212.62 | |
| serine | 29232.70 | 29591.43 | |
| shikimic acid | 291.92 | 504.68 | |
| sorbitol | 1214.05 | 3129.05 | |
| squalene | 332.67 | 750.63 | |
| stearic acid | 169890.46 | 220369.88 | |
| succinic acid | 527.16 | 555.03 | |
| sucrose | 222.15 | 1531.11 | |
| taurine | 927.56 | 768.45 | |
| threitol | 293.90 | 350.50 | |
| threonic acid | 4332.19 | 3149.58 | |
| threonine | 23642.05 | 24229.12 | |
| tocopherol alpha- | 5475.59 | 5203.57 | |
| tocopherol gamma- | 315.41 | 315.89 | |
| trans-4-hydroxyproline | 5295.22 | 4387.27 | |
| tryptophan | 33134.29 | 33341.05 | |
| tyrosine | 31543.47 | 31874.72 | |
| urea | 197901.35 | 210423.63 | |
| uric acid | 27412.34 | 30921.65 | |
| uridine | 188.39 | 193.82 | |
| valine | 114529.29 | 117288.64 | |
| xylitol | 263.55 | 533.95 | |
| xylose | 109.52 | 110.73 | |
| xylulose NIST | 174.11 | 176.49 |
Factors:
| F1 | Source:Group 1 - Score 0 |
| F2 | Source:Group 2 - Score 50 |
