基于超高效液相色谱-四级杆/静电场轨道阱高分辨质谱技术的活血通脉片化学成分研究

The chemical constituents study of Huoxuetongmai tablet based on UHPLC-Q-Orbitrap HRMS

目的:为系统研究复方中药制剂活血通脉片中的化学成分组成,建立采用超高效液相色谱-四级杆/静电场轨道阱高分辨质谱(UHPLC-Q-Orbitrap HRMS)快速识别活血通脉片中多种化学成分的定性分析方法。方法:应用UHPLC-Q-Orbitrap MS技术捕捉未知化合物的精确分子质量及多级碎片离子信息,同时与标准品的相对保留时间和质谱数据信息进行比对,并结合相关参考文献以及Mass Bank、Chemical Book等网络数据库信息实现对未知物的准确快速定性。结果:共鉴定出59种化学成分,其中主要包括酚酸类、醌类、黄酮类、苯酞内酯类、皂苷类及其他类化学成分。结论:本研究建立的方法可系统、快速、准确地识别活血通脉片中的多种化学成分,为其药效物质基础研究、质量控制及进一步临床应用等提供了科学的理论依据。

OBJECTIVE In order to investigate the chemical composition of Huoxuetongmai tablet, a novel ultra high performance liquid chromatography-quadrupole/orbitrap high resolution mass spectrometry(UHPLC-Q-Orbitrap HRMS) was employed to establish a method that could identify the ingredients in Huoxuetongmai tablets systematically and rapidly. METHODS The information of accurate mass and multistage fragment ions were captured by advanced UHPLC-Q-Orbitrap technology. Chemical constituents were characterized by comparing the relative retention time and the mass data of the reference substance combined with the reference literature or the Mass Bank, Chemical Book and other network database, thus achieving accurate and rapid identification of unknown compounds. RESULTS Fifty-nine compounds were finally identified in this research, including the phenoliacids, anthraquinones, flavones, phthaleins and other categories. CONCLUSION A method was established in this study to identify various chemical constituents of Huoxuetongmai tablet systematically, rapidly and accurately. In addition, our work will lay a scientific foundation for the basic research of the bioactive components, quality control improvement and further clinical application of this herbal formulation.