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

Table 1.

List of main peaks for FLU 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
3.22 418.14 C20H20FN3O6 Hydrolysis N-glycosidation 256, 123 M1FLU
3.31 478.16 C22H24FN3O8 Carbonyl reduction N-glycosidation 316, 284 M2FLU
3.42 478.16 C22H24FN3O8 Carbonyl reduction O-glycosidation 298, 266 M3FLU
3.58 478.16 C22H24FN3O8 Carbonyl reduction O-glycosidation 298, 266 M4FLU
3.7 418.14 C20H20FN3O6 Hydrolysis N-glycosidation 256 M5FLU
3.82 478.16 C22H24FN3O8 Carbonyl reduction O-glycosidation 298, 266 M6FLU
4.04 478.16 C22H24FN3O8 Carbonyl reduction N-glycosidation 316, 284 M7FLU
4.8 316.10 C16H14FN3O3 Carbonyl reduction 284, 238 M8FLU
5.33 476.14 C22H22FN3O8 N-glycosidation 314, 282, 123 M9FLU
5.44 330.12 C17H16FN3O3 Carbonyl reduction Methylation 298, 174 M10FLU
5.52 476.14 C22H22FN3O8 Hydrolysis, hydroxylation Glycosidation, O-acetylation 256 M11FLU
5.62 476.14 C22H22FN3O8 N-glycosidation 314, 282, 123 M12FLU
8.27 314.09 C16H12FN3O3 282, 123 FLU (parent drug)