In vitro metabolism study of Strychnos alkaloids using high-performance liquid chromatography combined with hybrid ion trap/time-of-flight mass spectrometry

被引:26
|
作者
Tian, Ji-Xin [1 ]
Peng, Can [1 ]
Xu, Lei [1 ]
Tian, Yuan [1 ]
Zhang, Zun-Jian [1 ,2 ]
机构
[1] China Pharmaceut Univ, Minist Educ, Key Lab Drug Qual Control & Pharmacovigilance, Nanjing 210009, Jiangsu, Peoples R China
[2] China Pharmaceut Univ, State Key Lab Nat Med, Nanjing 210009, Jiangsu, Peoples R China
关键词
Strychnos alkaloids; in vitro metabolism; ion trap; time-of-flight mass spectrometer; mass defect filter; NUX-VOMICA; BRUCINE; SEEDS;
D O I
10.1002/bmc.2860
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
In this report, the in vitro metabolism of Strychnos alkaloids was investigated using liquid chromatography/high-resolution mass spectrometry for the first time. Strychnine and brucine were selected as model compounds to determine the universal biotransformations of the Strychnos alkaloids in rat liver microsomes. The incubation mixtures were separated by a bidentate-C18 column, and then analyzed by on-line ion trap/time-of-flight mass spectrometry. With the assistance of mass defect filtering technique, full-scan accurate mass datasets were processed for the discovery of the related metabolites. The structural elucidations of these metabolites were achieved by comparing the changes in accurate molecular masses, calculating chemical component using Formula Predictor software and defining sites of biotransformation based upon accurate MSn spectral information. As a result, 31 metabolites were identified, of which 26 metabolites were reported for the first time. These biotransformations included hydroxylation, N-oxidation, epoxidation, methylation, dehydrogenation, de-methoxylation, O-demethylation, as well as hydrolysis reactions. Copyright (c) 2013 John Wiley & Sons, Ltd.
引用
收藏
页码:775 / 783
页数:9
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