Table 2.
The identification of potential biomarkers in rats induced by realgar.
| <!—Col Count:8<!—Metabolites | Formula | t R (min) | Calculate (m/z) | Error (ppm) | ESI mode | HMDB ID | Related pathway |
|---|---|---|---|---|---|---|---|
| Taurocholic acid | C26H45NO7S | 4.2 | 514.2822 | 4.3 | — | HMDB0000036 | Taurine and hypotaurine metabolism |
| Glycocholic acid | C26H43NO6 | 4.54 | 464.301 | 1.6 | — | HMDB0000138 | Primary bile acid biosynthesis |
| Chenodeoxycholic acid | C24H40O4 | 6.55 | 391.2843 | 2.8 | — | HMDB0000518 | Primary bile acid biosynthesis |
| Cholic acid | C24H40O5 | 5.42 | 389.2686 | 1.5 | — | HMDB0000619 | Primary bile acid biosynthesis |
| Chenodeoxycholic acid glycine conjugate | C26H43NO5 | 4.56 | 448.3062 | 1.4 | — | HMDB0000637 | Primary bile acid biosynthesis |
| Linoleic acid | C18H32O2 | 6.88 | 279.2325 | 1.6 | — | HMDB0000673 | Linoleic acid metabolism |
| Stearic acid | C18H36O2 | 10.89 | 283.2635 | 2.7 | — | HMDB0000827 | Biosynthesis of unsaturated fatty acids |
| Arachidonic acid | C20H32O2 | 6.92 | 303.2321 | 2.8 | — | HMDB0001043 | Arachidonic acid metabolism |
| Choline | C5H14NO | 11.06 | 104.1066 | 9.0 | + | HMDB0000097 | Glycine, serine, and threonine metabolism |
| Phosphorylcholine | C5H15NO4P | 6.3 | 184.0729 | 5.3 | + | HMDB0001565 | Glycine, serine, and threonine metabolism |
| 5-Methoxyindoleacetate | C11H11NO3 | 2.9 | 188.0698 | 7.4 | + | HMDB0004096 | Glycerophospholipid metabolism |
| Palmitoyl L-carnitine | C23H46NO4 | 9.04 | 400.341 | 2.8 | + | HMDB0000222 | Fatty acid degradation |
| LysoPC (16 : 0/0 : 0) | C24H50NO7P | 8.24 | 496.3371 | 5.4 | + | HMDB0010382 | Glycerophospholipid metabolism |
| LysoPC (P-18 : 0/0 : 0) | C26H54NO6P | 9.42 | 508.3742 | 3.8 | + | HMDB0013122 | Glycerophospholipid metabolism |