Relative percent distribution, mass spectra data, and proposed structures of metabolites of [14C]brasofensine in monkey urine
Metabolite | Percent of Radioactivity | MSn Spectral Data | Metabolite Identity | ||
|---|---|---|---|---|---|
| M + H+ | MS2 and MS3 Product Ionsa | ||||
| M1 | 1 | 489 | MS2: 313, 295, 280, 266; MS3 on 313: 295, 282, 266, 264, 159 | Glucuronide of O-desmethyl brasofensineb | |
| M2 | 10 | 475 | MS2: 299, 281, 266; MS3 on 299: 281, 266, 264, 214 | Glucuronide of O,N-didesmethyl brasofensineb | |
| ODME | Tracec | 313 | MS2: 295, 282, 269, 264, 159 | O-desmethyl brasofensine (BMS-282697) | |
| M6 | 3 | 473 | MS2: 197 | Glucuronide conjugate of a phase I metabolite | |
| M8 | 6 | 343 | MS2: 325, 295, 278, 268; MS3 on 295: 278, 268, 264, 252, 123 | Monohydroxylated brasofensineb | |
| M9 | 505 | MS2: 487, 469, 458, 329; MS3 on 329: 311, 298, 282, 280 | Glucuronide of monohydroxylated O-desmethyl brasofensineb | ||
| NDME | Tracec | 313 | MS2: 296, 281, 255, 159 | N-desmethyl brasofensine (BMS-212702) | |
| M11 | 10 | 491 | MS2: 473, 315, 297; MS3 on 315: 297, 281, 280, 159 | Glucuronide of monohydroxylated O,N-didesmethyl brasofensineb | |
| M12 | 4 | 473 | MS2: 197 | Glucuronide conjugate of a phase I metabolite | |
| M13 | 14 | 505 | MS2: 455, 329, 311, 297; MS3 on 329: 297, 281, 271, 238 | Glucuronide of monohydroxylated N-desmethyl brasofensineb | |
| M14 | 6 | 491 | MS2: 315, 297, 270; MS3 on 297: 279, 270, 252 | Glucuronide of monohydroxylated O,N-didesmethyl brasofensineb | |
| M15 | 20 | 491 | MS2: 315, 297, 270; MS3 on 297: 279, 270, 264, 252 | Glucuronide of monohydroxylated O,N-didesmethyl brasofensineb | |
| M16 | 5 | 473 | MS2: 197 | Glucuronide conjugate of a phase I metabolite | |
| M17 | 9 | 505 | MS2: 329, 311, 297; MS3 on 329: 311, 297, 281, 271 | Glucuronide of monohydroxylated N-desmethyl brasofensineb | |
| Total | 88d |
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↵ a Major or significant product ions
↵ b This metabolite could be either the E-isomer or its Z-isomer
↵ c Trace: Trace amount of the metabolite that was detected by LC/MS but not by radio-flow detector
↵ d The remaining urinary radioactivity was distributed among several unidentified peaks, none of which individually accounted for more than 5% of the total urinary radioactivity