Table 3.
Potential Biomarkers Identified in Negative Ion Mode
| No. | m/z | Tr (min) |
Chemical Formula | Metabolites | HMDB Code | VIP | Model/Control | MXSGT/Model |
|---|---|---|---|---|---|---|---|---|
| 1 | 1.16_ 192.0278 |
1.16 | C6H8O7 | Isocitrate | HMDB 00193 |
13.1588 | ↓ | ↑ |
| 2 | 0.89_ 145.0155 |
0.89 | C5H6O5 | 2-Oxoglutarate | HMDB 00208 |
6.4784 | ↓ | ↑ |
| 3 | 4.54_ 283.0612 |
4.54 | C16H14O6 | Hesperetin | HMDB 05782 |
3.0808 | ↓ | ↑ |
| 4 | 4.30_ 221.079 |
4.30 | C4H5N3O | Cytosine | HMDB 00630 |
1.7753 | ↑ | ↓ |
| 5 | 3.69_ 233.0435 |
3.69 | C4H7NOS | Homocysteine thiolactone |
HMDB 02287 |
1.4925 | ↓ | ↑ |
| 6 | 3.26_ 150.0571 |
3.26 | C8H11NO3 | L-noradrenaline | HMDB 00216 |
1.4849 | ↓ | ↑ |
| 7 | 0.91_ 285.0403 |
0.91 | C15H10O6 | Kaempferol | HMDB 05801 |
1.0091 | ↑ | ↓ |