Table 4 Retention times and mass spectral patterns (mass-to-charge ratio, m/z) of the compound GLB and its metabolites (M1 and M2) identified by UPLC-QTOF-MS/MS method in rat plasma after oral administration (100 mg/kg).
Peak | Mass Error (ppm) | Retention Time (min) | Calculated Mass | Identification | Formula | Molecular Ion (m/z) | Fragment Ions (m/z) |
|---|---|---|---|---|---|---|---|
GLB | 1.0 | 3.50 | 496.08 | Parent compound | C21H25N2O7Br | 497 [M+H]+ | — |
— | 520 [M+Na]+ | — | |||||
C18H10N2 O6Br | — | 441 | |||||
M1 | −0.8 | 2.56 | 528.07 | Di-hydroxylation | C21H25N2O9Br | 529 [M+H]+ | — |
— | 553 [M+Na]+ | — | |||||
C18H20N2O7Br | — | 457 | |||||
C21H25N2O9 | — | 449 | |||||
C18H18N2O6Br | — | 435 | |||||
C16H18N2O6Br | — | 401 | |||||
M2 | −0.1 | 2.86 | 512.08 | Hydroxylation | C21H25N2O8Br | 513 [M+H]+ | — |
— | 537 [M+Na]+ | — | |||||
C18H20N2O7Br | — | 457 | |||||
C19H20N2O5Br | — | 437 | |||||
C17H20NO6Br | — | 413 |
