Evidence-Based Complementary and Alternative Medicine

Research Article

Monoester-Diterpene Aconitum Alkaloid Metabolism in Human Liver Microsomes: Predominant Role of CYP3A4 and CYP3A5

Table 1

LC-MSn data of the BAC, BMA, and BHA metabolites in HLMs with NADPH.
Metabolite[M+H]+ ( )Smart formula [M]Major fragment ionsIdentification
BAC604.3109 C32H45NO10586, 572, 554, 540, 522, 508BAC
M1602.2951C32H43NO10584, 570, 552, 538, 506Dehydrogen-BAC
M2602.2949C32H43NO10584, 570, 552, 538, 506Dehydrogen-BAC
M3588.2791C31H41NO10570, 556, 538, 524, 506, 492Demethyl-dehydrogen-BAC
M4574.2638C30H39NO10542, 524, 510, 492, 478.Didemethyl-dehydrogen-BAC/Deethyl-dehydrogen-BAC
M5590.2940 C31H43NO10572, 558, 540, 526, 508Demethyl-BAC
M6590.2944 C31H43NO10572, 558, 540, 526, 508Demethyl-BAC
M7576.2805C30H41NO10558, 544, 526, 512, 494, 480Deethyl-BAC/didemethyl-BAC
BMA590.2963C31H43NO10572, 558, 540, 526, 508BMA
M1588.2802C31H41NO10570, 556, 538, 524Dehydrogen-BMA
M2588.2808C31H41NO10570, 556, 538, 524Dehydrogen-BMA
M3574.2642C30H39NO10556, 542, 524, 510, 492Demethyl-dehydrogen-BMA
M4574.2647C30H39NO10556, 542, 524, 510, 492Demethyl-dehydrogen-BMA
M5576.2789 C30H41NO10558, 544, 526, 512, 494Demethyl-BMA
M6576.2790 C30H41NO10558, 544, 526, 512, 494Demethyl-BMA
M7576.2792 C30H41NO10558, 544, 526, 512, 494Demethyl-BMA
M8606.2902 C30H43NO11588, 574, 556, 542, 524Hydroxyl-BMA
BHA574.3008C31H43NO9558, 542, 524, 510, 492, 478BHA
M1572.2857C31H41NO9556, 540, 522, 508, 490, 476Dehydrogen-BHA
M2572.2862C31H41NO9556, 540, 522, 508, 490, 476Dehydrogen-BHA
M3558.2709C30H39NO9542, 526, 508, 494Demethyl-dehydrogen-BHA
M4560.2843C30H41NO9544, 528, 510, 496, 464Demethyl-BHA
M5560.2855C30H41NO9544, 528, 510, 496, 464Demethyl-BHA
M6560.2857C30H41NO9544, 528, 510, 496, 464Demethyl-BHA
M7590.2978 C31H43NO10574, 558, 540, 526, 508Hydroxyl-BHA
M8590.2959 C31H43NO10574, 558, 540, 526, 508BMA
M9556.2547 C30H37NO9542, 528, 524, 497, 465, 450Demethyl-didehydrogen-BHA