Table 3.
Identified metabolites of serum and urine.
| No | Source | Compound name | Formula | Query mass | Monoisotopic_mass | R.T. (min) | Pathway |
|---|---|---|---|---|---|---|---|
| 1 | Serum(ESI+) | Phosphatidylcholine | C46H82NO7P | 792.5951 | 791.5829 | 7.14 | Glycerophospholipid metabolism |
| 2 | Serum(ESI-) | LysoPC(16:0/0:0) | C24H50NO7P | 496.3396 | 495.3325 | 15.35 | Glycerophospholipid metabolism |
| 3 | Taurine | C2H7NO3S | 124.0073 | 125.0147 | 0.89 | Taurine and hypotaurine metabolism; Primary bile acid biosynthesis | |
| 4 | Urine(ESI+) | Glycerylphosphorylethanolamine | C5H14NO6P | 216.0631 | 215.0559 | 5.51 | Glycerophospholipid metabolism |
| 5 | Pyridoxamine | C8H12N2O2 | 169.0971 | 168.0898 | 2.35 | Vitamin B6 metabolism | |
| 6 | Pantetheine | C11H22N2O4S | 279.1318 | 278.1300 | 5.39 | Pantothenate and CoA biosynthesis | |
| 7 | Pantothenate | C9H17NO5 | 220.1172 | 219.1107 | 2.91 | Pantothenate and CoA biosynthesis | |
| 8 | S-Adenosylmethioninamine | C14H23N6O3S | 355.1565 | 355.1552 | 0.85 | Cysteine and methionine metabolism; Arginine and proline metabolism | |
| 9 | Urine(ESI-) | β-D-Glucuronoside | C14H18O7 | 297.0975 | 298.1053 | 2.65 | Pentose and glucuronate interconversions |
| 10 | Oxalosuccinate | C6H6O7 | 189.0038 | 190.0114 | 2.72 | Citrate cycle (TCA cycle) |