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Metabolite identification of tanshinol borneol ester in rats by high‐performance liquid chromatography combined with electrospray ionization quadrupole time‐of‐flight mass spectrometry
Author(s) -
Wang Jie,
Ma Cuicui,
Li Qiannan,
Wang Xing,
Yang Yang,
Yang Lingjian,
Jiang Wei,
Liao Sha,
Wang Shixiang,
Jia Pu,
Zhao Ye,
Zheng Xiaohui
Publication year - 2019
Publication title -
biomedical chromatography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.4
H-Index - 65
eISSN - 1099-0801
pISSN - 0269-3879
DOI - 10.1002/bmc.4438
Subject(s) - chemistry , chromatography , metabolite , electrospray ionization , glucuronide , mass spectrometry , electrospray , high performance liquid chromatography , glucuronidation , borneol , biochemistry , enzyme , microsome , medicine , alternative medicine , traditional chinese medicine , pathology
Tanshinol borneol ester (DBZ) is a potential drug candidate composed of danshensu and borneol. It shows anti‐ischemic and anti‐atherosclerosis activity. However, little is known about its metabolism in vivo . This research aimed to elucidate the metabolic profile of DBZ through analyzing its metabolites using high‐performance liquid chromatography combined with electrospray ionization quadrupole time‐of‐flight mass spectrometry. Chromatographic separation was performed on an Agilent TC‐C 18 column (150 × 4.6 mm, 5.0 μm) with gradient elution using methanol and water containing 0.2% (v/v) formic acid as the mobile phase. Metabolite identification involved analyzing the retention behaviors, changes in molecular weights and MS/MS fragment patterns of DBZ and its metabolites. As a result, 20 potential metabolites were detected and tentatively identified in rat plasma, urine and feces after administration of DBZ. DBZ could be metabolized to O‐ methylated DBZ, DBZ‐ O‐ glucuronide, O‐ methylated DBZ‐ O‐ glucuronide, hydroxylated DBZ and danshensu. Danshensu, a hydrolysis product of DBZ, could further be transformed into 12 metabolites. The proposed method was confirmed to be a reliable and sensitive alternative for characterizing metabolic pathways of DBZ and providing valuable information on its druggability.