Table 2.
MS/MS data in the positive and negative ESI modes and the identification results for the biomarkers.
Peak no. | RT (min) | Mode | m/z | Formula | Identification | Significance | Content variance | Percentage change | Reported | Metabolic pathway |
---|---|---|---|---|---|---|---|---|---|---|
1 | 6.07 | [M + H]+ | 568.3423 | C26H50NO10P | Phosphatidylserine | 0.2332 | ↓ | 33.73 | Yes | Glycerophospholipid metabolism |
2 | 8.19 | [M + H]+ | 274.2722 | C16H35NO2 | C16-Sphingosine | 0.4179 | ↓ | 12.85 | Yes | Sphingolipid metabolism |
3 | 8.70 | [M + H]+ | 318.2017 | C21H35NO | N-methyl arachidonic amide | 0.1240 | ↑ | 144.8 | No | Arachidonic acid metabolism |
4 | 8.80 | [M + H]+ | 362.3266 | C23H39NO2 | N-(2-methoxyethyl) arachidonic amide | 0.1830 | ↓ | 52.14 | No | Arachidonic acid metabolism |
5 | 16.72 | [M + H]+ | 520.3378 | C26H50NO7P | Linoleamidoglycerophosphate choline | 0.1129 | ↓ | 17.73 | No | Glycerophospholipid metabolism |
6 | 16.76 | [M + HCOO]- | 564.3354 | C27H51NO9P | Lyso-PC (C18:2) | 0.1836 | ↓ | 42.28 | Yes | Glycerophospholipid metabolism |
7 | 18.59 | [M + H]+ | 496.3356 | C24H50NO7P | Lyso-PC (C16:0) | 0.0947 | ↓ | 32.22 | Yes | Glycerophospholipid metabolism |
8 | 19.61 | [M + HCOO]- | 566.3452 | C27H53NO9P | Lyso-PC (C18:1) | 0.0854 | ↓ | 85.12 | Yes | Glycerophospholipid metabolism |
9 | 22.37 | [M-H]- | 303.2318 | C20H32O2 | Arachidonic acid | 0.3225 | ↑ | 299.42 | Yes | Arachidonic acid metabolism |
10 | 22.52 | [M-H]- | 279.2293 | C18H32O2 | Linoleic acid | 0.2874 | ↓ | 70.48 | Yes | Fatty acid β-oxidation metabolism |