Table 5.
Potential biomarker information Table.
| Metabolite | Formula | mz | rt(sec) | Trend(N: M/AS: M) | Related pathways |
|---|---|---|---|---|---|
| Linoleic acid | C18H32O2 | 280.2635 | 551.9 | ↓/↓ | Linoleic acid metabolism |
| Bovinic acid | C18H32O2 | 279.2326 | 654.1 | ↑/↑ | Linoleic acid metabolism |
| Gamma-Linolenic acid | C18H30O2 | 278.1852 | 238.2 | ↑/↑ | Linoleic acid metabolism |
| 12,13-DHOME | C18H34O4 | 295.2283 | 434.6 | ↑/↑ | Linoleic acid metabolism |
| Taurocholic acid | C26H45NO7S | 516.2966 | 392.1 | ↓/↑ | Cholesterol metabolism; Bile secretion༛Taurine and hypotaurine metabolism |
| Glycochenodeoxycholic acid | C26H43NO5 | 448.3052 | 298 | ↑/↑ | Cholesterol metabolism; Bile secretion |
| Choline | C5H14NO | 104.1072 | 66.8 | ↑/↑ | Choline metabolism in cancer; Bile secretion༛Glycine, serine and threonine metabolism |
| Glycerophosphocholine | C8H21NO6P | 258.1097 | 51.6 | ↑/↑ | Choline metabolism in cancer |
| L-Carnitine | C7H15NO3 | 162.1128 | 72.8 | ↑/↑ | Bile secretion |
| Uric acid | C5H4N4O3 | 167.0201 | 50.2 | ↑/↓ | Bile secretion |
| L-Aspartic acid | C4H7NO4 | 134.045 | 52 | ↓/↑ | Glycine, serine and threonine metabolism |
| L-Tryptophan | C11H12N2O2 | 203.0819 | 187.8 | ↑/↑ | Glycine, serine and threonine metabolism |
| Acetylphosphate | C2H5O5P | 139.9888 | 501.5 | ↑/↑ | Taurine and hypotaurine metabolism |
| Thymidine | C10H14N2O5 | 223.0279 | 598.9 | ↑/↓ | Pyrimidine metabolism |
| Dihydrouracil | C4H6N2O2 | 112.9848 | 662.4 | ↓/↓ | Pyrimidine metabolism |
| Methylmalonic acid | C4H6O4 | 101.0712 | 654.1 | ↑/↓ | Pyrimidine metabolism |
| (R)−3-Hydroxybutyric acid | C4H8O3 | 103.0386 | 121.4 | ↓/↑ | Synthesis and degradation of ketone bodies |
The ↑ and ↓ values denote an increase and decrease, respectively.