Table 2. Potential marker metabolites detected in LC/MS chromatograms.
| Ion mode | Metabolites | Rt (min) | P-value | AUC | Log2 (FC) | Metabolic pathways |
|---|---|---|---|---|---|---|
| ESI (−) | Oleic Acid | 14.51 | 1.14E-03 | 0.827 | −0.67 | Fatty acid biosynthesis |
| ESI (−) | Eicosapentaenoic Acid | 14.29 | 1.31E-05 | 0.88 | −0.88 | Biosynthesis of unsaturated fatty acids |
| ESI (−) | Arachidonic Acid | 13.69 | 9.90E-06 | 0.889 | −0.83 | Arachidonic acid metabolism |
| ESI (−) | HOME | 13.58 | 5.84E-06 | 0.886 | −0.85 | Not known |
| ESI (−) | PC (15:0) | 12.45 | 6.75E-05 | 0.898 | 0.52 | Not known |
| ESI (+) | Glycerophospho-N-Palmitoyl Ethanolamine | 11.22 | 2.70E-03 | 0.836 | 0.27 | Not known |
| ESI (−) | PE (16:0) | 11.22 | 2.10E-04 | 0.867 | 0.32 | Not known |
| ESI (−) | Taurocholic acid | 8.05 | 1.01E-03 | 0.802 | 1.26 | Taurine and hypotaurine metabolism; bile secretion |
| ESI (−) | N-Acetyl-DL-tryptophan | 5.95 | 2.71E-07 | 0.963 | −1.94 | Not known |
| ESI (−) | L-Phenylalanine | 2.34 | 1.29E-04 | 0.843 | 0.33 | Aromatic amino acid metabolism |
| ESI (+) | Kynurenine | 2.27 | 1.54E-04 | 0.997 | 1.77 | Tryptophan metabolism |
| ESI (+) | Serotonin | 1.79 | 3.52E-10 | 0.975 | −1.69 | Tryptophan metabolism |
| ESI (−) | Fumaric acid | 1.36 | 1.12E-03 | 0.923 | −0.77 | TCA cycle |
| ESI (−) | Citric acid | 1.21 | 5.01E-05 | 0.855 | −0.62 | TCA cycle |
| ESI (−) | Glutathione, oxidized | 1.21 | 1.22E-03 | 0.824 | −0.87 | Glutathione metabolism; Methane metabolism |
| ESI (−) | Malic acid | 1.17 | 1.10E-02 | 0.883 | −0.69 | Not known |
| ESI (+) | Glycerophosphocholine | 0.81 | 8.48E-09 | 0.978 | −1.37 | Glycerophospholipid metabolism |
| ESI (−) | Cytidine | 0.81 | 4.01E-05 | 0.882 | −0.73 | Pyrimidine metabolism |
| ESI (+) | Choline | 0.78 | 6.00E-07 | 0.938 | −0.93 | Glycerophospholipid metabolism |