Table 5.
Preliminary identification of potential biomarkers in rat serum in the high-dose group of aurantio-obtusin. Electrospray ionization (ESI).
| Mode | RT/min | m/z | Formula | Biomarker | HMDB | KEGG | Trend | ppm |
|---|---|---|---|---|---|---|---|---|
| ESI+ | 5.75 | 240.1046 | C7H17N3O4S | N-Ornithyl-l-taurine | 033519 | Unknown | ↓ | 5 |
| 5.44 | 520.3421 | C26H50NO7P | LysoPC (18:2) | 010386 | Unknown | ↑ | 0 | |
| 0.62 | 74.0684 | C3H7NO | N,N-Dimethylformamide | 001888 | C03134 | ↓ | 1 | |
| 12.87 | 778.5466 | C44H76NO8P | PC (22:5/14:1) | 008657 | C00157 | ↓ | 2 | |
| 12.94 | 319.198 | C19H26O4 | Ubiquinone-2 | 006709 | C00399 | ↓ | 1 | |
| 6.1 | 185.0824 | C9H12O4 | Vanylglycol | 001490 | C05594 | ↑ | 5 | |
| 6.94 | 794.5065 | C43H72NO10P | PS (15:0/22:6) | 112339 | Unknown | ↑ | 4 | |
| 8.41 | 524.3724 | C26H54NO7P | LysoPC (18:0) | 010384 | C04230 | ↑ | 2 | |
| 13.12 | 811.6233 | C47H87O8P | PA (24:1/20:2) | 115604 | Unknown | ↑ | 1 | |
| 12.79 | 812.6262 | C46H86NO8P | PC (20:0/18:3) | 008271 | C00157 | ↑ | 4 | |
| 0.59 | 160.0674 | C6H9NO4 | l-2-Amino-4-methylenepentanedioic acid | 029433 | C00651 | ↓ | 3 | |
| ESI- | 12.86 | 883.5334 | C47H81O13P | PI (22:5/16:0) | 009918 | C00626 | ↑ | 5 |
| 12.87 | 803.5625 | C47H81O8P | PA (22:1/22:5) | 115292 | Unknown | ↓ | 0 | |
| 0.56 | 313.066 | C10H20O7P2 | Geranyl-PP | 001285 | C05847 | ↓ | 4 | |
| 5.75 | 507.3172 | C25H49O8P | PA (8:0/i-14:0) | 115687 | Unknown | ↓ | 2 | |
| 8.01 | 508.3416 | C25H52NO7P | LysoPC (17:0) | 012108 | C04230 | ↓ | 2 | |
| 12.85 | 723.5049 | C41H73O8P | PA (16:0/22:4) | 114846 | Unknown | ↑ | 4 | |
| 8.34 | 480.3101 | C23H48NO7P | LysoPC (15:0) | 010381 | C04230 | ↓ | 1 | |
| 5.72 | 504.3108 | C25H48NO7P | LysoPE (20:2/0:0) | 011513 | Unknown | ↓ | 1 | |
| 6.42 | 658.3331 | C32H53NO11S | Taurolithocholic acid 3-glucuronide | 002429 | Unknown | ↓ | 5 | |
| 5.7 | 552.3101 | C29H48NO7P | LysoPE (0:0/24:6) | 011499 | Unknown | ↓ | 1 | |
| 2.61 | 401.0877 | C12H23N2O9PS | 4′-Phosphopantothenoylcysteine | 001117 | C04352 | ↓ | 3 | |
| 12.88 | 857.6731 | C56H90O6 | TG (15:0/18:4/20:5) | 043681 | Unknown | ↓ | 4 | |
| 1.94 | 407.2812 | C24H40O5 | Cholic acid | 000619 | C00695 | ↑ | 2 | |
| 6.97 | 464.3017 | C26H43NO6 | Glycocholic acid | 000138 | C01921 | ↑ | 0 | |
| 5.08 | 498.2874 | C26H45NO6S | Taurodeoxycholic acid | 000896 | C05463 | ↓ | 4 | |
| 3.19 | 391.2853 | C24H40O4 | Deoxycholic acid | 000626 | C04483 | ↑ | 0 | |
| 2.32 | 514.2822 | C26H45NO7S | Taurocholic acid | 000036 | C05122 | ↓ | 4 |
Note: Trend: Compared with the normal group, the content of compounds in the aurantio-obtusin group increased (↑) and decreased (↓). The human metabolome database (HMDB) is the human metabolism group database, column to 000036, for example, on behalf of this compound in the HMDB number; Kyoto encyclopedia of genes and genomes (KEGG) is a database of gene function analysis, KEGG column to C05122, for example, C for compound, 05122 on behalf of this compound in the KEGG number. Phosphatidylcholine (PC).