TABLE 1.
No | TR (min) | Compound | Molecular formula | m/z obsd | m/z calcd | Error (ppm) | Ion mode | Treatment group vs. control group |
---|---|---|---|---|---|---|---|---|
1 | 0.93 | Tryptophan | C11H12N2O2 | 227.0796 | 227.0796 | 0 | + | ↓** |
2 | 0.92 | Tyrosine | C9H11NO3 | 182.0817 | 182.0819 | 1.10 | + | ↓* |
3 | 0.80 | Glutamine | C5H10N2O3 | 169.0589 | 169.0587 | –1.18 | + | ↓* |
4 | 0.83 | Pyroglutamine | C5H8N2O2 | 129.0664 | 129.0665 | 0.77 | + | ↓* |
5 | 11.31 | Alpha-ketoglutarate | C5H6O5 | 184.9852 | 184.9864 | 6.49 | + | ↓** |
6 | 4.41 | Sphingosine | C18H37NO2 | 300.2903 | 300.2902 | –0.33 | + | ↑* |
7 | 2.80 | L-Octanoylcarnitine | C15H29NO4 | 288.2175 | 288.2169 | –2.08 | + | ↓* |
8 | 0.93 | Phenylpyruvic acid | C9H8O3 | 165.0552 | 165.0547 | –3.03 | + | ↑* |
9 | 2.45 | Prolylhydroxyproline | C10H16N2O4 | 251.1008 | 251.1014 | 2.39 | + | ↓* |
10 | 5.37 | LysoPC(20:4 (8Z,11Z,14Z,17Z)/0:0) | C28H50NO7P | 566.3223 | 566.3218 | –0.80 | + | ↓** |
11 | 6.25 | LysoPC(18:1 (11Z)/0:0) | C26H52NO7P | 544.3379 | 544.3381 | 0.37 | + | ↑* |
12 | 5.48 | L-Palmitoyl carnitine | C23H45NO4 | 400.3427 | 400.3432 | 1.25 | + | ↓** |
13 | 5.66 | Alpha-linolenic acid | C18H30O2 | 279.2324 | 279.2314 | –3.58 | + | ↑* |
14 | 6.03 | Tetradecanedioic acid | C14H26O4 | 297.1468 | 297.15 | 10.77 | + | ↑* |
15 | 6.28 | Trimethoprim | C14H18N4O3 | 291.1457 | 291.1437 | –6.87 | + | ↑** |
16 | 5.94 | Cortolone-3-glucuronide | C27H42O11 | 565.2625 | 565.2661 | 6.37 | + | ↓** |
17 | 2.53 | Creatine | C4H9N3O2 | 130.0617 | 130.0623 | 4.61 | – | ↓* |
18 | 5.28 | LysoPE (0:0/24:6 (6Z,9Z,12Z,15Z,18Z,21Z)) | C29H48NO7P | 552.3090 | 552.3085 | –0.91 | – | ↑* |
19 | 7.69 | Eicosapentaenoic acid | C20H30O2 | 301.2168 | 301.2188 | 6.64 | – | ↓* |
20 | 5.93 | 12,13-Epoxy-9,15-octadecadienoic acid | C18H30O3 | 293.2117 | 293.2119 | 0.68 | – | ↑* |
21 | 5.83 | 11,14,17-Eicosatrienoic acid | C20H34O2 | 305.2481 | 305.2500 | 6.22 | – | ↑** |
The change trend is compared between the DOX group and the NS group. ↑ and ↓ represent up- and downregulation. *p < 0.05. **p < 0.01.