Characterization of Metabolites of Leonurine (SCM-198) in Rats after Oral Administration by Liquid Chromatography/Tandem Mass Spectrometry and NMR Spectrometry
作者： Qing Zhu , Jinlian Zhang , Ping Yang , Bo Tan , Xinhua Liu
DOI: 10.1155/2014/947946
关键词:
摘要: Leonurine, a major bioactive component from Herba Leonuri, shows therapeutic potential for cardiovascular disease and stroke prevention in some preclinical experiments. The aim of this study is to characterize metabolites leonurine rats using high performance liquid chromatography coupled with tandem mass spectrometry (HPLC/MS/MS). chromatographic separation was performed on an Agilent ZORBAX SB-C18 column gradient elution acetonitrile/ammonium acetate buffer (10 mM, pH 4.0) solvent system. An information dependent acquisition (IDA) method developed screening identifying under positive ion mode. Compared control, the interesting compound extracted chromatogram (XIC) vivo samples chosen further identified by analyzing their retention times, changes observed (Δm/z), spectral patterns product utilizing advanced software tool. For first time, total three were identified, including two phase II generated glucuronidation (M1) sulfation (M2) one I metabolite formed O-demethylation (M3). Finally, lead M1 isolated urine its structure characterized as leonurine-10-O-β-D-glucuronide NMR spectroscopy (1H, 13C, HMBC, HSQC).
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