苦地丁化学成分和体内代谢产物的LC-MS鉴定

LC-MS identification of chemical constituents and metabolites of Corydalis bungeana

目的研究苦地丁Corydalis bungeana提取物中的化学成分和体内代谢产物,探究其代表性成分质谱裂解规律。方法采用高效液相色谱-电喷雾质谱联用技术(HPLC-Q-TOF/MS),正离子模式扫描,对苦地丁提取物和大鼠口服苦地丁提取物后不同时间段内的血浆、胆汁、尿液和粪便分别进行检测分析,通过与对照品和文献比对保留时间和质谱碎片信息,确定化学成分归属及其裂解方式,预测代谢产物的动态变化。结果在苦地丁提取物中共鉴定得31个化合物,其中共有21个化合物以原型进入体内;并以紫堇灵为研究对象,在大鼠血浆、胆汁、尿液和粪便中分别发现3、3、4、4个代谢产物。结论借助HPLC-Q-TOF/MS方法鉴定了苦地丁体外化学成分和体内以原型存在的化学成分,阐明了代表性成分紫堇灵的代谢产物及代谢规律,推测苦地丁在体内发生了I相和II相代谢,其中以II相代谢方式为主(硫酸化、糖基化、甲基化和去甲基化),为阐明苦地丁的药效物质基础提供依据。

Objective To investigate the chemical components and metabolites in the extract of Corydalis bungeana,and to explore the mass spectrometry cleavage law of its representative components.Methods High-performance liquid chromatographyelectrospray ionization mass spectrometry(HPLC-Q-TOF/MS)was used to adopt the positive ion mode scanning the extract and rat substance in different period.The plasma,bile,urine and faeces were separately detected and compared,with the standard and pieces of literature than retention time and mass spectrum information,the attribution of chemical constituents and their cracking mode.The dynamic change of metabolites was detected.Results A total of 31 compounds were identified in the extract,among which 21compounds entered the body as the prototype.Besides,3,3,4,and 4 metabolites were found in plasma,bile,urine and faeces of rats.Conclusion HPLC-Q-TOF/MS was used to identify the chemical constituents in vitro and in vivo,and the metabolites and metabolic rules of corydalis were elucidated.It was speculated that the metabolism of Corydalis in vivo occurred in phase I and phase II,and phase II was the main mode(sulfation,glycosylation,methylation,and demethylation).This study provides a basis for elucidating the pharmacodynamic material basis of C.bungeana.