Data for ST002391
| Metabolite structure | All data | F1 | F2 |
|---|---|---|---|
| 1,3-Dimethyluric acid | 1015.76 | 994.33 | |
| 2,2-Dimethylsuccinic acid | 1141.26 | - | |
| 2-Aminobenzoic acid | 1036.62 | 1262.46 | |
| 2-Hydroxy-3-methylbutyric acid | 1876.09 | 1926.89 | |
| 2-Ketohexanoic acid | 1185.90 | 289.60 | |
| 2-Phenylaminoadenosine | 9745.30 | 259.20 | |
| 3,4,5-Trimethoxycinnamic acid | 956.10 | 258.00 | |
| 3,4-Dihydroxyphenylglycol | 16697.14 | 905.71 | |
| 3-Hydroxy-4-methoxycinnamic aicd | 1100.57 | 1029.67 | |
| 3-Methoxytyramine | 957.91 | 789.11 | |
| 3-Methylindole | 13264.36 | 13900.67 | |
| 4-Hydroxy-3-methylbenzoic acid | 2008.82 | 2227.33 | |
| 4-Methylcatechol | 917.24 | 840.35 | |
| 5-Hydroxyindoleacetic acid | 13011.64 | 10552.67 | |
| 5-Methoxytryptophol | 1987.36 | 1563.33 | |
| 5^-Methylthioadenosine | 1408.73 | 1210.67 | |
| Acetaldehyde | 17034.64 | 2840.33 | |
| Acetaminophen | 3664.73 | 3919.41 | |
| Acetic acid | 1807.80 | 212.00 | |
| Alpha-ketoisovaleric acid | 9060.45 | 9125.44 | |
| Benzamide | 864.36 | 1967.11 | |
| Butanone | 1430.74 | - | |
| Caffeine | 166042.09 | 192372.67 | |
| Cinnamaldehyde | 2131.81 | 261.50 | |
| Creatinine | 3585.82 | 4295.44 | |
| Deoxycholic acid glycine conjugate | 5193.82 | 7390.89 | |
| Diacetyl | 7386.50 | 197.00 | |
| DL-2-aminooctanoic acid | 1170.55 | 1266.89 | |
| Ethanolamine | 803.82 | 1203.53 | |
| Glycerol | 12458.36 | 1908.86 | |
| Glycylproline | 2288.50 | - | |
| Guaifenesin | 1128.82 | 1558.00 | |
| Heparin | 1151.89 | - | |
| Indole-3-carbinol | 1115.14 | 1228.33 | |
| Indole-3-carboxylic acid | 741.24 | 1245.33 | |
| Indoleacrylic acid | 708203.36 | 726295.67 | |
| Indolelactic acid | 3466.00 | 3427.88 | |
| Isobutyric acid | 24043.40 | 277.33 | |
| Isoferulic acid | 1439.05 | 1161.22 | |
| Isovalerylcarnitine | 8516.55 | 12200.89 | |
| Kynurenic acid | 1762.64 | 2056.67 | |
| L-Acetylcarnitine | 27983.73 | 28010.78 | |
| L-Aspartic acid | 1266.44 | 1365.69 | |
| L-Carnitine | 15179.30 | 35900.57 | |
| L-Dopa | 1056.09 | 1249.67 | |
| L-Glutamine | 1266.80 | 2074.56 | |
| Linoleic acid | 1060.95 | 2081.88 | |
| L-Kynurenine | 7975.00 | 6672.33 | |
| L-Leucine | 19111.55 | 17695.33 | |
| L-Lysine | 804.45 | 1834.11 | |
| L-Methionine | 2595.14 | 2558.11 | |
| L(-)-Nicotine pestanal | 2528.09 | 3706.67 | |
| L-Phenylalanine | 161854.73 | 171263.00 | |
| L-Proline | 2166.73 | 4221.56 | |
| L-Tryptophan | 135726.64 | 145694.67 | |
| L-Valine | 4291.71 | 10181.33 | |
| N-Acetyl-L-alanine | 12787.00 | 15819.44 | |
| N-Acetyl-L-phenylalanine | 971.09 | 930.67 | |
| N-Acetyl-L-tyrosine | 1008.44 | - | |
| Nicotinuric acid | 898.21 | 1000.46 | |
| N-Methyl-a-aminoisobutyric acid | 5227.45 | 8845.29 | |
| N,N-Dimethylformamide | 3266.45 | 2565.22 | |
| o-Tyrosine | 18914.18 | 17881.00 | |
| Phosphoric acid | 1281.64 | 1605.22 | |
| Picolinic acid | 939.89 | 899.53 | |
| Pipecolic acid | 1173.43 | 2653.22 | |
| Pregnenolone sulfate | 1468.40 | - | |
| Propanal | 4325.73 | 1964.67 | |
| Pyridine | 1415.78 | 3875.78 | |
| Pyroglutamic acid | 3623.73 | 3451.44 | |
| Pyruvaldehyde | 1112.47 | 273.43 | |
| Quinaldic acid | 1527.45 | 1339.00 | |
| Rhamnose | 2049.70 | 354.00 | |
| Saccharopine | 9768.70 | - | |
| Sphinganine | 4728.19 | 4864.75 | |
| Succinylacetone | 34954.73 | 1893.89 | |
| Theobromine | 45578.36 | 48594.11 | |
| Theophylline | 100802.36 | 110446.22 | |
| Thymine | 1035.05 | 1107.22 | |
| Trans-Cinnamic acid | 15797.09 | 16491.56 | |
| Trimethylamine | 1086.70 | 1148.00 | |
| Uric acid | 66605.27 | 65164.53 | |
| Uridine | 988.80 | 865.00 |
Factors:
| F1 | Method:Methanol;Chloroform |
| F2 | Method:Methanol Only |
