Characterization of in vitro metabolites of three tetrahydroprotoberberine alkaloids in rat liver S9 by high‐performance liquid chromatography/quadrupole time‐of‐flight mass spectrometry

Abstract

This was the first ever investigation of in vitro metabolism of THB, THCP and THCB in rat liver S9 by using a sensitive and accurate HPLC/QqTOF-MS method. The tentatively proposed metabolic pathways of the three alkaloids will provide a basis for further studies of the in vivo metabolism of the three compounds in animals and humans.

Systematic identification of compounds in Macleaya microcarpa by high‐performance liquid chromatography/quadrupole time‐of‐flight tandem mass spectrometry combined with mass spectral fragmentation behavior of Macleaya alkaloids

“…In general, it is difficult to identify the unknown constituents from mass spectra without information about the fragment ions and retention times. The fragmentation mechanism of Macleaya alkaloids can be summarized based on the findings of previous studies . Target profiling and identification of BIAs in the extracted samples from the fresh aerial parts of M. microcarpa were exclusively based on retention time (<0.25 min), exact mass (M + , [M + H] + , and [M + Na] + ions, mass error<10 ppm), and MS/MS product ions in a database of the accurate mass of known compounds and the mass spectral fragmentation behavior of Macleaya alkaloids.…”

Qualitative and quantitative studies on chemical constituents of Ling‐gui‐zhu‐gan decoction: In vitro and in vivo

“…For M15, it was observed at the retention time of 27.20 min with [M+H] + ion at m/z 259.09727 Da (−1.94 ppm) and [M‐H] − ion at m/z 257.08211 Da (−0.70 ppm), and its molecular formula was temporarily predicted as C 15 H 14 O 4 . Referring to the related literature, its relative molecular weight was 2 Da (2H) higher than P12, which indicated that M15 was the hydrogenation metabolite of liquiritigenin [36, 37].…”