Summary of key LC/MSn data of the biliary metabolites after single oral dose of 150 mg RXM to a cholecystectomy patient with T-tube drainage2-a
| Compound | Proposed Configuration | tR | MS [M + H]+ | MS/MS (Fragment Ions) |
|---|---|---|---|---|
| min | m/z (relative abundance, %) | |||
| RXM | (E) | 31.5 | 837 | 679 (100), 558 (9), 540 (4), 522 (6) |
| M8 | (Z) | 17.0 | 837 | 679 (100), 558 (9), 540 (4), 522 (5) |
| M3 | (E) | 19.8 | 823 | 665 (100), 544 (10), 526 (2), 508 (8) |
| M11 | (Z) | 13.7 | 823 | 665 (100), 544 (7), 526 (2), 508 (4) |
| M4 | (E) | 14.1 | 823 | 665 (100), 558 (13), 540 (5), 522 (4) |
| M12 | (Z) | 10.2 | 823 | 665 (100), 558 (9), 540 (4), 522 (5) |
| M6 | (E) | 10.2 | 809 | 651 (100), 544 (10), 526 (3), 508 (12) |
| M14 | (Z) | 9.08 | 809 | 651 (100), 544 (6), 526 (2), 508 (9) |
| M2 | (E) | 14.5 | 749 | 591 (100), 558 (34), 540 (9), 522 (7), 434 (5) |
| M10 | (Z) | 11.1 | 749 | 591 (100), 558 (8), 540 (2), 522 (2), 434 (5) |
| M5 | (E) | 10.7 | 735 | 577 (100), 544 (16), 526 (6), 508 (10), 434 (12) |
| M13 | (Z) | 9.13 | 735 | 577 (100), 544 (5), 526 (2), 508 (4), 434 (13) |
| M7 | (E) | 9.96 | 721 | 563 (100), 530 (16), 512 (8), 494 (25), 434 (7) |
| M15 | (Z) | 8.80 | 721 | 563 (100), 530 (4), 512 (4), 494 (8), 434 (8) |
| M1 | (E) | 13.4 | 679 | 558 (73), 540 (38), 522 (100) |
| M9 | (Z) | 10.5 | 679 | 558 (63), 540 (32), 522 (100) |
↵2-a Chromatographic and spectroscopic conditions, seeExperimental Procedures.