Summary of key LC/MSn data of the metabolites found in vivo and in vitro
For chromatographic and spectroscopic conditions, see Materials and Methods.
Compound | tR | MS [M — H]- | MS/MS (Fragment Ions) |
|---|---|---|---|
| min | |||
| 1,5-DCQA | 14.1 | 515 | 353 (100), 191 (61), 179 (7), 335 (5) |
| M1 | 10.6 | 719 | 543 (100), 367 (41) |
| M2 | 11.9 | 705 | 529 (100), 353 (3) |
| M3 | 13.5 | 543 | 367 (100), 349 (12), 193 (3) |
| M4 | 13.8 | 719 | 543 (100) |
| M5 | 14.8 | 719 | 543 (100), 525(80) |
| M6 | 14.8 | 543 | 367 (100), 193 (45) |
| M7 | 18.2 | 719 | 543 (100) |
| M8 | 18.8 | 529 | 353 (100), 367 (12), 191 (5), 179 (3) |
| M9 | 19.4 | 529 | 367 (100), 353 (12), 191 (4), 179 (3) |
| M10 | 20.1 | 529 | 367 (100), 335 (72), 179 (22) |
| M11 | 20.5 | 529 | 367 (100) |
| M12 | 22.5 | 543 | 367 (100), 349 (55), 193 (10) |
| M13 | 23.5 | 543 | 367 (100), 349 (85), 193 (42) |
| M14 | 24.6 | 543 | 349 (100), 193 (22), 367 (15) |
| M15 | 28.4 | 543 | 349 (100), 367 (75) |
| M16 | 28.8 | 543 | 367 (100), 193 (50), 349 (24) |
| M17 | 29.1 | 543 | 349 (100), 367 (30) |
| M18 | 8.7 | 691 | 529 (100), 515 (3), 353 (3) |
| M19 | 10.2 | 705 | 543 (100), 529 (8), 367 (45) |
| M20 | 11.1 | 705 | 543 (100), 529 (7) |
| M21 | 13.2 | 705 | 529 (100), 543 (18), 367 (10) |
| M22 | 16.1 | 543 | 349 (100), 367(3) |