基于UHPLC-Q-Exactive Orbitrap MS鉴定欧前胡素在大鼠体内的代谢产物

Identification of metabolites of imperatorin in rats:based on UHPLC-Q-Exactive Orbitrap MS

采用UHPLC-Q-Exactive Orbitrap MS分析鉴定欧前胡素在大鼠体内的代谢产物。大鼠灌胃给予欧前胡素后,采集血浆、尿液和粪便,以固相萃取法处理生物样品,利用UHPLC-Q-Exactive Orbitrap MS,以0.1%甲酸水(A)-乙腈(B)为流动相梯度洗脱,分别采集正、负离子模式下的各样品数据,并解析欧前胡素的代谢产物,探究欧前胡素在大鼠体内的代谢途径。根据精确相对分子质量、多级质谱裂解信息以及对照品质谱裂解规律,并结合相关参考文献,共从大鼠体内检测到51个代谢产物。其中,从血浆、尿液以及粪便中分别检测到35、40、16个,其主要代谢途径为氧化、葡萄糖醛酸化、脱异戊烯基、硫酸酯化和羧基化等。该文深入研究了大鼠体内欧前胡素代谢转化情况,可为其进一步的药效学评价及开发利用提供参考借鉴。

This study aims to identify and analyze the metabolites of imperatorin in rats by UHPLC-Q-Exactive Orbitrap MS.Specifically,after rats were treated(ig)with imperatorin,the plasma,urine,and feces were collected,and the samples were processed by solid phase extraction.Then,UHPLC-Q-Exactive Orbitrap MS was performed.In MS,0.1%formic acid water(A)-acetonitrile(B)was applied as mobile phase for gradient elution and the data of MS in both positive and negative ion modes were collected.The metabolites of imperatorin in blood,urine,and feces of rats were analyzed to explore the metabolic pathways of imperatorin in rats.According to accurate molecular weight,multistage MS data,MS fragmentation rule of the standard substance,and previous reports,a total of 51 metabolites were identified,with 35,40,and 16 from plasma,urine,and feces,separately.The main metabolic pathways were oxidization,glucuronidation,isopentenyl removal,sulphation,carboxylation,among others.The conclusion in this study is expected to serve as a reference for the further development and the further pharmacodynamics study of imperatorin.