LC/MS/MS analysis of gemopatrilat and its metabolites detected in urine and feces of rat, dog, and human
Metabolitea | Matrix/Speciesb | Negative Ion Electrospray Ionization |
|---|---|---|
| Relevant ions m/z (loss of fragment) | ||
| M3 and M4c | Urine: R, D | MS: 211 (M-H); MS2 on 211: 63 (M-148, CH3SO), 81 (M-130, CH3SO + H2O) |
| M5 | Urine: D, H | MS: 672 (M-H); MS2 on 672: 551 (M-121, -cysteine), 496 (M-176, -glucuronide), 375 (M-297, -cysteine, and -glucuronide) |
| M6 | Urine: R, D, H | MS: 496 (M-H); MS2 on 496: 375 (M-121, -cysteine) |
| Feces: D | ||
| M7 and M8d | Urine: R, D, H | MS: 407 (M-H); MS2 on 407: 343 (M-64, -CH3S(O)H), 188 (M-219, C11H10N1O2) |
| Feces: R, D | ||
| M9 | Urine: R, D, H | MS: 567 (M-H); MS2 on 567: 391 (M-176, -glucuronide), 343 (M-224, -glucuronide, and -CH3S), 188 (M-379, C11H10N1O2) |
| M13 | Urine: R, D, H | MS: 391 (M-H); MS2 on 391: 343 (M-48, -CH3S), 188 (M-203, C11H10N1O2) |
| Feces: R, D | ||
| M14 | Urine: R, D, H | MS: 754 (M-H); MS2 on 754: 375 (M-379, -C19H26N2O4S) |
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| Feces: R, D |
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↵ a Metabolites M1 and M2 were not identified by LC/MS or LC/MS/MS because of poor ionization
↵ b R, D, and H represent rat, dog, and human, respectively
↵ c Diastereomeric sulfoxides of M11. Metabolites M3 and M4 had different retention times on the HPLC and were analyzed separately
↵ d Diastereomeric sulfoxides of M13. Metabolites M7 and M8 had different retention times on the HPLC and were analyzed separately