Table 3.
Potential biomarker information.
| No. | ESI mode | HMDBID | Metabolites | Chemical formula | VIP | RT (min) | m/z | Normal vs model trend | Model vs G-Re trend |
|---|---|---|---|---|---|---|---|---|---|
| 1 | − | HMDB0009156 | PE (18 : 3 (9Z, 12Z, 15Z)/18 : 0) | C41H76NO8P | 3.8777 | 1.954 | 740.50656 | Up | Down |
| 2 | − | HMDB0008429 | PC (20 : 4 (5Z, 8Z, 11Z, 14Z)/16 : 0) | C44H80NO8P | 2.5692 | 8.974 | 826.57028 | Down | Up |
| 3 | − | HMDB0001085 | Leukotriene B4 | C20H32O4 | 2.6425 | 3.290 | 671.46118 | Up | Down |
| 4 | − | HMDB0003337 | Oxidized glutathione | C20H32N6O12S2 | 1.4469 | 3.467 | 593.13535 | Down | Up |
| 5 | − | HMDB0002710 | Prostaglandin J2 | C20H30O4 | 3.1346 | 3.247 | 379.21586 | Down | — |
| 6 | − | HMDB0000673 | Linoleic acid | C18H32O2 | 4.7441 | 12.039 | 279.21364 | Down | Up |
| 7 | + | HMDB0010384 | LysoPC (18 : 0) | C26H54NO7P | 3.2924 | 6.363 | 524.37289 | Up | Down |
| 8 | + | HMDB0010385 | LysoPC (18 : 1 (11Z)) | C26H52NO7P | 1.3872 | 5.511 | 522.35657 | Up | Down |
| 9 | + | HMDB0010383 | LysoPC (16 : 1 (9Z)) | C24H48NO7P | 1.4353 | 4.513 | 494.32409 | Up | Down |
| 10 | + | HMDB0007981 | PC (16 : 0/20 : 3 (8Z, 11Z, 14Z)) | C44H82NO8P | 6.2389 | 6.158 | 806.60484 | Down | Up |
| 11 | + | HMDB0012096 | SM (d18 : 1/12 : 0) | C35H71N2O6P | 1.1461 | 7.789 | 669.49175 | Up | Down |
| 12 | + | HMDB0000220 | Palmitic acid | C16H32O2 | 8.4544 | 3.243 | 274.27847 | Up | Down |
| 13 | + | HMDB0004610 | Phytosphingosine | C18H39NO3 | 4.6911 | 3.272 | 318.30280 | Down | Up |
| 14 | + | HMDB0000638 | Dodecanoic acid | C12H24O2 | 2.6015 | 2.273 | 218.21566 | Down | – |
| 15 | + | HMDB0000269 | Sphinganine | C18H39NO2 | 1.7346 | 3.805 | 302.30810 | Down | Up |
| 16 | + | HMDB0000806 | Myristic acid | C14H28O2 | 2.6476 | 2.773 | 246.24757 | Down | Up |