UPLC-Q-Orbitrap HRMS四级杆/静电场轨道阱高分辨质谱仪在复方扶芳藤合剂中的定性应用

Qualitative analysis of compound Fufangteng mixture by UPLC-Q-Orbitrap HRMS mass spectrometry

目的:利用超高效液相色谱-四极杆/静电场轨道阱高分辨质谱技术(UPLC-Q-Orbitrap HRMS)的高分辨率筛查方法,建立对中成药复杂成分快速鉴定的高效分析方法。方法:采用Thermo Gold C18色谱柱(2.1 mm×100 mm,1.9μm),以0.1%甲酸乙腈-0.1%甲酸水溶液为流动相进行梯度洗脱,质谱采用正负离子同时采集模式、全扫描及自动触发二级质谱扫描模式,对复方扶芳藤合剂中的化合物进行快速筛查及定性分析。结果:通过高分辨数据从复方扶芳藤合剂中共鉴定出38个化合物,包括黄酮类11个、萜类10个、有机酸类8个、酚类2个、糖及糖醇类3个、氨基酸及核苷类4个。结论:使用UPLC-Q-Orbitrap HRMS的高分辨率筛查方法,建立的定性方法可快速、准确、系统地识别出复方扶芳藤合剂中多种化合物,可用于复方扶芳藤合剂中多种组分进行系统的快速测定,为该制剂质量控制、药效物质基础研究及进一步的临床应用提供了扎实的理论依据及研究思路,并为其整体药物质量评价的提供了新的科学依据及参考。

Objective:To establish an efficient method for rapid identification of complex components in Chinese patent medicine,a high-resolution screening method based on UPLC-Q-Orbitrap HRMS was used.Methods:The extract was separated on a Thermo Gold C18 column(2.1 mm×100 mm,1.9μm)and the gradient elution was performed with mobile phase consisting of 0.1%formic acid acetonitrile-0.1%formic acid aqueous solution.The compositions of Fufangteng mixture were rapidly identified and screened by HRMS in the positive and negative ion modes using both full scan and two stage threshold-triggered scan.Results:A total of 38 chemical constituents were identified from the compound Fufangteng mixture by the high resolution data,including 11 flavonoids,10 terpenes,8 organic acids,2 phenols,3 sugar and sugar alcohols,4 amino acids and nucleosides.Conclusion:Using highresolution screening based on UPLC-Q-Orbitrap HRMS,the qualitative method,various chemical components in Fufangteng mixture were identified quickly,accurately and systematically.The method can be used for rapid and systematic determination of multi-components in Fufangteng mixture.The results provide a solid theoretical basis and research ideas for the quality control of the preparation and pharmacodynamic basic research as well as its further clinical application,and provide a new scientific basis and reference for its overall drug quality evaluation.