基于UPLC-Q-Orbitrap-HRMS技术分析半夏白术天麻汤的化学成分及入血成分

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(UPLC-Q-Orbitrap-HRMS)技术分析半夏白术天麻汤(Banxia Baizhu Tianma Decoction,BBTD)化学成分及入血成分,阐明其可能的药效物质基础。方法:色谱柱为Waters ACQUITY UPLC HSS T3 C₁₈(2.1mm×100mm,1.8μm),流动相为0.1%甲酸乙腈(A)-0.1%甲酸水溶液(B)梯度洗脱,流速0.2mL·min^-1。采用电喷雾离子源ESI,正、负离子模式扫描。根据准分子离子与二级碎片离子,结合对照品及文献数据鉴定BBTD化学成分、入血成分。结果:BBTD表征出133个成分,含药大鼠血浆样品分析出48个化合物,包括39个原型成分和9个代谢产物。结论:通过UPLC-Q-Orbitrap-HRMS技术对BBTD化学成分及入血成分进行表征,为其药效物质基础研究和质量控制奠定基础。

Indentification of chemical constituents and blood components of Banxia Baizhu Tianma Decoction by UPLC-Q-Orbitrap-HRMS

OBJECTIVE To identify the chemical constituents and blood components of Banxia Baizhu Tianma Decoction,and preliminarily clarify its possible pharmacodynamic material basis by ultra-performance liquid chromatography-quadrupole-electrostatic field orbitrap high resolution mass spectrometry(UPLC-Q-Orbitrap-HRMS).METHODS The method was established by using ACQUITY UPLC HSS T3 C₁₈ column(100 mm×2.1 mm,1.8 μm).The mobile phase was 0.1% formic acid acetonitrile solution(A)-0.1% formic acid aqueous solution(B)for gradient elution,the flow rate was 0.2 mL·min^-1.High resolution mass spectrometry adopted electrospray ionization;UPLC-Q-Orbitrap-HRMS was operated in positive and negative ion modes,and the chemical constituents and blood components were identified according to the exact relative molecular weight and fragment ions reported in the references.RESULTS A total of 178 components were identified in Banxia Baizhu Tianma Decoction,and 69 chemical constituents were identified in plasma samples of rats after intragastric administration,including 50 prototype constituents and 19 metabolites.CONCLUSION An efficient method was used to study componentsin Banxia Baizhu Tianma Decoction and blood samples,and provided reference for the pharmacodynamic material basis,quality control.