Table 4.
Metabolite Theoretical Annotation in Untargeted Species ‡.
| Mz_rt * | FC | p-Value | Direction | Annotation † |
|---|---|---|---|---|
| Positive | ||||
| 332.3_8.23 | 1.86 | 0.000272 | Increased | 3; modified PA species |
| 331.3_8.23 | 1.83 | 0.000294 | Increased | >10; modified eicosadienoic acid species |
| 351.3_8.61 | 1.81 | 0.009813 | Increased | 6; modified SM or PE-ceramide |
| 570.3_8.61 | 1.80 | 0.002333 | Increased | >10; modified, LPC, CL, PC |
| 408.3_6.68 | 1.70 | 0.000506 | Increased | >10; Radarin & PG modified species |
| 484.3_7.12 | 0.42 | 0.000941 | Decreased | 5; modified PA, taurine, sulfonic acid |
| 550.3_7.15 | 0.48 | 0.000766 | Decreased | 2, modified vitamin D3 or lactone |
| 564.3_7.15 | 0.48 | 1.76 × 10−5 | Decreased | 1; 1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoethanolamine; M + K |
| 576.4_7.93 | 0.53 | 0.000393 | Decreased | >10; PE or PC modifications |
| 240.1_7.23 | 0.67 | 0.000157 | Decreased | >10; carboxylic acid, gluco, & galactoside |
| Negative | ||||
| 736.5_11.3 | 1.97 | 0.004575 | Increased | >10; PE or PC modifications |
| 185.0_0.42 | 1.95 | 0.001566 | Increased | Modified carbohydrate, e.g., ribulose |
| 430.2_8.22 | 1.44 | 0.000207 | Increased | >10; tripeptide |
| 708.5_9.83 | 1.41 | 0.000362 | Increased | >10; PE or PC modifications |
| 718.5_9.68 | 1.40 | 0.00057 | Increased | >10; PE modifications |
| 316.2_3.8 | 0.22 | 0.019235 | Decreased | 2; 3-hydroxynonanoyl carnitine and Tridecanoylglycine |
| 689.5_8.68 | 0.26 | 0.001863 | Decreased | >10; DG, PE, or PA modified species |
| 1096.8_7.13 | 0.29 | 0.009105 | Decreased | Nothing found |
| 407.3_9.6 | 0.46 | 0.00021 | Decreased | 1; Sinapoylspermine |
| 447.3_8.2 | 0.71 | 4.91 × 10−6 | Decreased | 9; vitamin K, quinone; cholesterol |
‡ Selected 10 outliers on volcano plot for each mode; * Mass-to-charge ratio underscore retention time; † number of annotated species and their categories; positive mode potential adducts—M + H, M + 2H, M + 2H, M + Na, M + K, M + NH4, M + H-H2O; PA—phosphatidic acid; SM—sphingomyelin; PE—phosphoethanolamine; LPC—lysophosphatidycholine; CL—cardiolipin; PC—phosphatidylcholine; PG—phosphoglycerol; DG—diacylglycerol.