Table 2. Potential biomarkers and their metabolic pathways.
No. | m/z | tR(min) | Formula | Metabolite | Ratioa | VIPb | Trendc | Related pathway | %RSDd |
---|---|---|---|---|---|---|---|---|---|
1 | 147.0761 | 0.81 | C5H10N2O3 | Glutaminee | 0.67 | 2.65 | ↓* | Alanine, aspartate and glutamate metabolism | 12.7 |
2 | 150.0581 | 0.97 | C5H11NO2S | Methioninee | 1.75 | 1.41 | ↑* | Methionine metabolism | 10.3 |
3 | 118.0860 | 1.10 | C5H11NO2 | Valinee | 0.62 | 6.07 | ↓* | Valine, leucine and isoleucine biosynthesis | 8.3 |
4 | 137.0456 | 1.14 | C5H4N4O | Hypoxanthinee | 2.02 | 2.97 | ↑* | Purine metabolism | 7.9 |
5 | 269.0875 | 1.28 | C10H12N4O5 | Inosinee | 2.14 | 1.39 | ↑* | Purine metabolism | 13.1 |
6 | 132.1008 | 1.31 | C6H13NO2 | Isoleucinee | 0.64 | 9.75 | ↓* | Valine, leucine and isoleucine biosynthesis | 4.2 |
7 | 300.2887 | 9.54 | C18H37NO2 | Sphingosinee | 1.81 | 1.41 | ↑* | Sphingolipid metabolism | 8.9 |
8 | 400.3420 | 10.46 | C23H45NO4 | Palmitoylcarnitinee | 1.60 | 2.39 | ↑* | Sphingolipid metabolism | 7.5 |
9 | 520.3379 | 10.62 | C26H50NO7P | LysoPC(18:2)f | 0.60 | 9.73 | ↓* | Phospholipid metabolism | 6.7 |
10 | 426.3574 | 10.66 | C26H51NO3 | C8−ceramidef | 1.74 | 4.46 | ↑* | Sphingolipid metabolism | 4.8 |
11 | 280.2631 | 10.83 | C18H33NO | Linoleamidef | 1.76 | 1.98 | ↑* | Fatty acid metabolism | 10.3 |
12 | 570.3546 | 11.00 | C30H52NO7P | LysoPC(22:5)f | 0.60 | 3.01 | ↓* | Phospholipid metabolism | 9.5 |
13 | 546.3549 | 11.14 | C28H52NO7P | LysoPC(20:3)f | 0.61 | 4.81 | ↓* | Phospholipid metabolism | 5.4 |
14 | 256.2638 | 13.03 | C16H33NO | Palmitic amidef | 1.59 | 1.50 | ↑* | Fatty acid metabolism | 10.8 |
aThe ratio of relative amounts of HAPE group to control group.
bVariable Importance in Projection.
cChange trend compared with control group. (↑): up-regulated. (↓): down-regulated.
dVariation of the biomarker concentrations in QC samples expressed as relative standard deviation (%RSD).
eMetabolites validated with standard sample.
fMetabolites putatively annotated. *p value < 0.01.