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. 2018 Jan 31;8(1):50–58. doi: 10.1016/j.ijpddr.2018.01.005

Table 3.

List of main peaks for ABZ biotransformation samples detected by UHPLC-MS/MS with their retention times, theoretical values of [M+H]+ ions in ESI positive-ion mode, elemental composition, product ions, and description of present metabolites.

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
1.83 444.14 C18H25N3O8S S-oxidation N-glycosidation 282, 240, 208, 191, 159 M1ABZ
2.33 444.14 C18H25N3O8S S-oxidation N-glycosidation 282, 240, 208 M2ABZ
3.32 282.09 C12H15N3O3S S-oxidation 240, 208, 191,159 M3ABZ
3.56 370.14 C16H23N3O5S Hydrolysis N-glycosidation 208 M4ABZ
4.53 370.14 C16H23N3O5S Hydrolysis N-glycosidation 208 M5ABZ
5.22 298.09 C12H15N3O4S 2*S-oxidation 266, 224, 159 M6ABZ
5.65 428.15 C18H25N3O7S N-glycosidation 266, 234, 191 M7ABZ
6.16 428.15 C18H25N3O7S N-glycosidation 266, 234 M8ABZ
6.71 428.15 C18H25N3O7S N-glycosidation 266, 234 M9ABZ
7.5 266.10 C12H15N3O2S 234 ABZ (parent drug)