Table 1. Identification of Potential Biomarkersc,d.
| no. | retention time (min) | mass-to-charge ratio | type | identified compound | comparison between groups (fold change) |
|---|---|---|---|---|---|
| 1 | 0.79 | 182.0467 | [M – H]− | 4-pyridoxic acida | Con/EW (2.8) |
| 2 | 0.84 | 204.0638 | [M + Na]+ | l-tyrosinea,b | Con/FW (<1) |
| 3 | 1.28 | 204.0310 | [M – H]− | xanthurenic acida | Con/EW (3.5) |
| 4 | 1.58 | 188.0362 | [M – H]− | kynurenic acida,b | Con/EW (3.1) |
| 5 | 1.70 | 163.0405 | [M – H]− | phenylpyruvic acida | Con/FW (<1) |
| 6 | 1.85 | 188.0688 | [M + Na]+ | l-phenylalaninea,b | Con/FW (<1) |
| 7 | 2.97 | 187.0075 | [M – H]− | p-cresol sulfatea | Con/FW (2.8), Con/EW (4.0) |
| 8 | 3.37 | 165.0564 | [M – H]− | phenyllactic acida | Con/EW (6.2) |
| 9 | 8.33 | 391.2852 | [M + H]+ | 12-ketodeoxycholic acida | Con/EW (<1) |
| 10 | 8.44 | 655.2765 | [M + H]+ | coproporphyrin IIIa | Con/EW (<1) |
| 11 | 11.65 | 391.2875 | [M – H]− | chenodeoxycholic acida,b | Con/EW (<1) |
| 12 | 11.92 | 391.2868 | [M – H]− | deoxycholic acida,b | Con/EW (<1) |
Metabolites confirmed by literature or database searches and mass spectrometry (MS) fragmentation.
Metabolites confirmed using standard compounds.
Con-FW: significant differences in metabolites with p < 0.05 between the control and PM group I (4 weeks).
Con-EW: significant differences in metabolites with p < 0.05 between the control and PM group II (8 weeks).