Table 3. Features differentially expressed between control and LPS samples in cell and supernatant samples.
| Feature | m/z | RT | Ionization Mode | Method | Log2(Fold Change) | Proposed molecular formula | Proposed annotation | Level ID | Δppm | |
|---|---|---|---|---|---|---|---|---|---|---|
| Intracellular | ||||||||||
| 1 | 221.0919 | 18.5 | Pos | HILIC | 2.3 | C11H12N2O3 | Hydroxy-tryptophan | 3 | 1 | |
| 2 | 299.2003 | 7.3 | Pos | HILIC | 4.0 | C20H26O2 | 3,4-didehydro-retinoate | 3 | 1 | |
| 3 | 301.2163 | 7.6 | Pos | HILIC | 5.4 | C20H28O2 | 4-hydroxyretinal | 3 | 0 | |
| 4 | 305.0864 | 14.8 | Pos | HILIC | 1.2 | C12H17O9 | - | 3 | 1 | |
| 5 | 317.2112 | 7.9 | Pos | HILIC | 4.4 | C20H28O3 | 15-deoxy-PGJ2 | 3 | 0 | |
| 6 | 319.2270 | 7.7 | Pos | HILIC | 5.3 | C20H30O3 | Leukotriene A4 | 3 | 1 | |
| 7 | 344.2438 | 18.4 | Pos | HILIC | 3.7 | C18H34NO5 | 4 | 2 | ||
| 8 | 393.2260 | 7.4 | Pos | HILIC | 5.7 | C22H32O6 | 10-hydroperoxy-H4-neuroprostane | 3 | 3 | |
| 9 | 120.0449 | 4.9 | Neg | HILIC | 4.0 | C7H7NO | - | 3 | 4 | |
| 10 | 164.0346 | 4.9 | Neg | HILIC | 3.8 | C8H7NO3 | Pyridoxolactone | 3 | 4 | |
| 11 | 167.0171 | 17.7 | Neg | HILIC | 2.2 | C2H5N3O6 | - | 4 | 7 | |
| 12 | 194.0451 | 3.8 | Neg | HILIC | 6.7 | C9H9NO4 | Hydroxyhippuric acid | 3 | 4 | |
| 13 | 315.1952 | 7.2 | Neg | HILIC | 4.9 | C20H28O3 | 15-deoxy-PGJ2 | 3 | 4 | |
| 14 | 333.2061 | 7.1 | Neg | HILIC | 8.7 | C20H30O4 | Prostaglandin A2 | 3 | 3 | |
| 15 | 334.2095 | 5.2 | Neg | HILIC | 5.0 | C15H30N2O6 | - | 4 | 4 | |
| 16 | 351.2160 | 7.1 | Neg | HILIC | 4.8 | C20H32O5 | Thromboxane A2 | 3 | 5 | |
| 17 | 353.2325 | 9.7 | Neg | HILIC | 2.7 | C20H34O5 | Prostaglandin E1 | 3 | 2 | |
| 18 | 368.2432 | 10.4 | Neg | HILIC | 5.1 | C18H30NO5 | - | 4 | 1 | |
| 19 | 381.2632 | 8.9 | Neg | HILIC | 10.3 | C22H32N4O4 | - | 3 | 4 | |
| 20 | 383.2425 | 5.1 | Neg | HILIC | 5.5 | C21H35O6 | 4 | 3 | ||
| 21 | 385.2217 | 14.9 | Neg | HILIC | 2.8 | C20H34O7 | Dihydro-trihydroxy-leukotriene B4 | 3 | 4 | |
| 22 | 436.1933 | 7.0 | Neg | HILIC | 5.4 | C18H26N7O6 | - | 4 | 3 | |
| 23 | 387.1448 | 18.7 | Pos | RP | 9.5 | C21H22O7 | - | 3 | 3 | |
| 24 | 134.1 | 12.40 | - | GC | 8.4 | C4H6O5 | Malic acid | 1 | ||
| 25 | 167.0 | 15.19 | - | GC | 1.3 | C7H5NO4 | Quinolinic acid | 1 | ||
| Extracellular | ||||||||||
| 1 | 136.0398 | 14.56 | Pos | HILIC | 8.3 | C7H5NO2 | - | 3 | ||
| 2 | 405.2630 | 7.25 | Pos | HILIC | 3.4 | C24H36O5 | - | 3 | ||
| 3 | 757.4305 | 7.60 | Pos | HILIC | 6.3 | C39H64O14 | - | 3 | ||
| 4 | 334.2115 | 6.0 | Neg | HILIC | 3.9 | C15H30N2O6 | 5 | 2 | ||
| 5 | 351.2190 | 6.79 | Neg | HILIC | 3.6 | C20H32O5 | Prostaglandin E2 | 3 | ||