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Analysis of the metabolites of mesaconitine in rat blood using ultrafast liquid chromatography and electrospray ionization mass spectrometry
Tan, Peng1; Chen, Xin2; He, Ruirui3; Liu, Yonggang1
关键词Liquid Chromatography-electrospray Ion Trap-mass Spectrometry Mesaconitine Metabolite Quantum Chemistry
刊名PHARMACOGNOSY MAGAZINE
2014-04-01
DOI10.4103/0973-1296.131019
10期:38页:101-105
收录类别SCI
文章类型Article
WOS标题词Science & Technology
类目[WOS]Chemistry, Medicinal
研究领域[WOS]Pharmacology & Pharmacy
关键词[WOS]HUMAN INTESTINAL BACTERIA ; ACONITUM ALKALOIDS ; SODIUM-CHANNELS ; URINE ; BIOTRANSFORMATION ; SEPARATION ; PRODUCTS
英文摘要

Background: Mesaconitine is the main active component of genus aconitum plants that are widely used in clinics in China. However, little has been known about the metabolic pathway of mesaconitine. Objective: To explore the metabolites and propose the pathway of mesaconitine. Materials and Methods: In the present study, mesaconitine (4 mg kg(1) ) was orally administered to male rats. Then, blood samples collected were pretreated using solid-phase extraction technique with C18 cartridges, and analyzed using LC/MS/MS method with electrospray ionization. Both positive ion mode and collision induced dissociation (CID) were used to elucidate the structures of the major metabolites of mesaconitine. Results: Ten compounds were identified, among which seven were new metabolites, and the metabolic pathway was proposed. The protonated molecular ions of seven new metabolites were at m/z 648, 618, 616, 602, 572, 468, and 542, multistage fragment ions with neutral loss of 28 u (CO), 60 u (CH 3 COOH), 18 u (H 2 O), and 32 u (CH 3 OH). These new metabolites detected firstly in vivo, were named 10-hydroxyl-mesaconitine, hypaconitine, dehydrated mesaconitine 16-O-demethylmesaconitine, 16-O-demethylhypaconitine, and 16-O-demethyl-dehydrated hypaconitine, respectively. Furthermore, the breaking sequence of methoxyl was obtained using quantum chemistry. Conclusion: The study proved that the method of solid-phase extraction technique coupled with MS and quantum chemistry can be applied to the analysis of metabolites in plasma quickly and conveniently.

语种英语
WOS记录号WOS:000334887800002
引用统计
文献类型期刊论文
条目标识符http://ir.bjmu.edu.cn/handle/400002259/53025
专题北京大学药学院_化学生物学系
作者单位1.Beijing Univ Chinese Med, Beijing 100102, Peoples R China
2.Peking Univ, Dept Pharmaceut Anal, Sch Pharmaceut Sci, Beijing 100871, Peoples R China
3.Peking Univ, Inst Clin Pharmacol, Beijing 100871, Peoples R China
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GB/T 7714
Tan, Peng,Chen, Xin,He, Ruirui,et al. Analysis of the metabolites of mesaconitine in rat blood using ultrafast liquid chromatography and electrospray ionization mass spectrometry[J]. PHARMACOGNOSY MAGAZINE,2014,10(38):101-105.
APA Tan, Peng,Chen, Xin,He, Ruirui,&Liu, Yonggang.(2014).Analysis of the metabolites of mesaconitine in rat blood using ultrafast liquid chromatography and electrospray ionization mass spectrometry.PHARMACOGNOSY MAGAZINE,10(38),101-105.
MLA Tan, Peng,et al."Analysis of the metabolites of mesaconitine in rat blood using ultrafast liquid chromatography and electrospray ionization mass spectrometry".PHARMACOGNOSY MAGAZINE 10.38(2014):101-105.
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