tR (min) | Theoretical m/z values of [M+H]+ ions | Elemental composition | Description of metabolite formation | Product ions of [M+H]+, m/z | Metabolite designation | |
---|---|---|---|---|---|---|
Phase I | Phase II | |||||
2.0 | 444.14 | C18H25N3O8S | S-oxidation | N-glycosidation | 282, 240, 208 | M1ABZ |
2.5 | 444.14 | C18H25N3O8S | S-oxidation | N-glycosidation | 282, 240, 208 | M2ABZ |
3.4 | 282.09 | C12H15N3O3S | S-oxidation | – | 240, 208, 191,159 | M3ABZ |
4.3 | 370.14 | C16H23N3O5S | Hydrolysis | N-glycosidation | 208 | M4ABZ |
5.2 | 298.09 | C12H15N3O4S | 2*S-oxidation | – | 266, 224, 159 | M6ABZ |
5.1 | 428.15 | C18H25N3O7S | – | N-glycosidation | 266, 234 | M7ABZ |
5.1 | 428.15 | C18H25N3O7S | +O, hydrolysis | Glycosidation, O-acetylation | 208 | M11ABZ |
5.3 | 428.15 | C18H25N3O7S | +O, hydrolysis | Glycosidation, O-acetylation | 208 | M12ABZ |
5.6 | 428.15 | C18H25N3O7S | +O, hydrolysis | Glycosidation, O-acetylation | 208 | M13ABZ |
6.1 | 428.15 | C18H25N3O7S | +O, hydrolysis | Glycosidation, O-acetylation | 208 | M10ABZ |
6.1 | 428.15 | C18H25N3O7S | – | N-glycosidation | 266, 234 | M8ABZ |
6.7 | 428.15 | C18H25N3O7S | – | N-glycosidation | 266, 234 | M9ABZ |
7.4 | 266.10 | C12H15N3O2S | – | – | 234 | ABZ (parent drug) |