基于超高效液相色谱-四级杆-静电场轨道阱质谱的胃复春片化学成分研究

Study on Chemical Constituents of Weifuchun Tablet by Ultra-high Performance Liquid Chromatography-Hybrid Quadrupole-Orbitrap Mass Spectrometry

目的:基于超高效液相色谱-四级杆-静电场轨道阱高分辨质谱(UPLC-Q-Orbitrap HRMS)技术对胃复春片的物质基础进行了全面的研究,对主要化学成分进行快速鉴定。方法:采用Thermo Hypersil GOLD C18色谱柱(4.6 mm×150 mm,3μm),以0.05%甲酸水-乙腈为流动相的梯度洗脱进行分离。质谱采用正、负离子检测模式、全扫描及自动触发二级质谱扫描功能(Full MS/dd MS2)采集数据。通过化合物的最大紫外吸收波长、精确相对分子质量及二级碎片离子信息,与对照品的保留时间、mzVault 2.0质谱数据库及相关文献报道进行比对,鉴定胃复春片的主要化学成分。结果:共鉴定出164种化学成分,其中包括人参皂苷类42个、黄酮类97个、二萜类19个、其他6个。结论:UPLC-Q-Orbitrap HRMS技术能够快速、准确、较全面地鉴定胃复春片中化学成分,为明确药效物质基础研究及提升质量标准提供了理论依据。

Objective:Based on ultra-high performance liquid chromatography-quadrupole-orbitrap mass spectrometry(UPLC-Q-Orbitrap HRMS)technology,to thoroughly study the material basis of Weifuchun Tablets,and to quickly identify the main chemical components.Methods:The analysis was performed on a Thermo Hypersil GOLD C18 column(150 mm×4.6 mm,3μm).The mobile phase comprised of water containing 0.05%formic acid and acetonitrile was used for gradient elution.Mass spectrometry adopts positive and negative ion detection mode,full scan and automatic trigger secondary mass spectrometry scan function(Full MS/dd MS2)to collect data.By comparing the compound′s maximum ultraviolet absorption wavelength,accurate relative molecular mass and secondary fragment ion information with the reference substance retention time,mzVault 2.0 mass spectrometry database and related literature reports,the main chemical components of Weifuchun tablets were identified.Results:A total of 164 chemical constituents including 42 ginsenosides,97 flavonoids,19 diterpenoids and 6 other compounds,were identified.Conclusion:UPLC-Q-Orbitrap HRMS technology can quickly,accurately,and comprehensively identify the chemical composition of Weifuchun tablets,which provides a theoretical basis for clarifying the basic research of drug efficacy and improving quality standards.