基于超高效液相色谱-四极杆/静电场轨道阱高分辨质谱技术的复方血栓通胶囊化学成分研究

Chemical constituents study of compound Xueshuantong capsules based on UHPLC-Q-Orbitrap HRMS

目的:采用超高效液相色谱-四极杆/静电场轨道阱高分辨质谱(UHPLC-Q-Orbitrap HRMS)建立一种快速识别复方血栓通胶囊中多种化学成分的定性分析方法。方法:通过分析UHPLC-Q-Orbitrap HRMS技术捕捉复方血栓通胶囊中未知化合物的一级精确分子量和多级碎片信息,同时与对照品的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等网络数据库信息从而实现对未知物的准确快速定性。结果:共从复方血栓通胶囊中鉴定出52个化学成分,其中主要包括酚酸类、醌类、黄酮类、氨基酸类及其他类等化学成分。结论:建立的方法可系统、快速、准确地识别复方血栓通胶囊中的多种化学成分,并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科学的理论依据。

Objective:To study the chemical composition of compound Xueshuantong capsules,and applied to a novel ultra high performance liquid chromatography-quadrupole/orbitrap high resolution mass spectrometry(UHPLC-Q-Orbitrap HRMS)for establishment of a method for recognization of the ingredients.Methods:The information of accurate mass in FullMS and multistage fragment ions were obtained by the novel UHPLC-Q-Orbitrap technology.Chemical constituents were identified by comparing the relative retention time and the mass data of the reference substance,and consulting the reference literature or the Mass Bank,Chemical Book network database.Results:Fifty two compounds were identified in compound Xueshuantong capsules,including the phenolic acid,authraquinones,flavones,amino acids and others.Conclusion:A method is established to identify various chemical constituents in compound Xueshuantong capsules rapidly,accurately and systematically.And this research will lay a theoretical foundation and scientific study idea for the quality control improvement,bioactive components recognition and further clinical application of this herbal formulation.