Molecular ions and characteristic fragment ions of abrocitinib and metabolites detected in plasma and excreta
| ID | Standard ID | Retention Time (min) | [M+H]+ m/z | Parent Fragments m/z | Diagnostic Fragments m/z |
|---|---|---|---|---|---|
| M6 | PF-07095462 | 3.4 | 370.1179 | 70 | 217, 165 |
| 340-5 | 4.9 | 340.1074 | 201, 176, 175, 149, 70 | 296 | |
| 372-1 | 5.0 | 372.1334 | 176, 70 | ||
| M7 | PF-06737821 | 5.2 | 354.1230 | 201, 175, 149, 70 | 218 |
| M8 | PF-07055039 | 5.8 | 356.1387 | 70 | 217, 165 |
| 358-1 | 6.1 | 358.1543 | 176, 70 | 235, 217, 183, 165 | |
| 356-1a | 6.4 | 356.1386 | 70 | 217, 192, 191, 165 | |
| 356-2 | 6.5 | 356.1384 | 176, 70 | 233, 207, 181 | |
| M1 | PF-06471658 | 7.6 | 340.1438 | 201, 175, 149, 70 | 218 |
| M2 | PF-07055087 | 8.5a | 340.1438 | 201, 175, 149, 70 | 218 |
| M3 | PF-07055090 | 8.5a | 340.1438 | 201, 175, 149, 70 | 218 |
| M4 | PF-07054874 | 10.0b | 340.1438 | 176, 70 | 234, 217, 191, 165 |
| M5 | PF-07054926 | 10.0b | 310.1332 | 176, 70 | 204, 187, 161, 135 |
| Abrocitinib | PF-04965842 | 11.5 | 324.1490 | 201, 176, 175, 149, 70 |
aCoeluting enantiomers followed by a second chromatographic separation (see Methods).
bCoeluting peaks with subsequent identification from urine isolation and nuclear magnetic resonance analyses (see Methods).