基于UPLC-Q-Exactive Orbitrap MS技术的藏药大籽蒿化学成分分析

Analysis of chemical constituents in Tibetan medicine Dazihao based on UPLC-Q-Exactive Orbitrap MS

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-Exactive Orbitrap MS)对大籽蒿的化学成分进行分析和鉴定。方法:采用Agilent Eclipse Plus C18色谱柱,以甲醇和0.1%甲酸溶液为流动相进行梯度洗脱,采用加热电喷雾离子源(HESI)在正负离子模式下进行检测,通过Xcalibur 2.0软件拟合出化合物的分子式,根据精确分子量以及二级碎片离子,结合相关文献及mz Cloud、mz Vault、Sci Finder等数据库,对化学成分进行定性分析。结果:从大籽蒿中鉴别出50种化学成分,包括22种黄酮类、9种萜类、8种香豆素类、2种苯丙素类和9种其他类成分。结论:UPLC-Q-Exactive Orbitrap MS技术为鉴别大籽蒿中化学成分提供简便、准确的方法,研究结果可为大籽蒿的质量控制及开发利用提供参考。

Objective:To analyze and identify the chemical constituents in Dazihao by UPLC-Q-Exactive Orbitrap MS.Method:Agilent Eclipse Plus C18 column was used for gradient elution with methanol and 0.1%formic acid solution as the mobile phase.Heated electrospray ionization(HESI)was used for detection in positive and negative ion mode.The molecular formulas of the compounds were fitted by Xcalibur 2.0 software.According to the precise molecular weight and secondary fragment ions,combined with relevant literature and databases such as mzCloud,mzVault and SciFinder,the chemical constituents were qualitatively analyzed.Result:50 chemical constituents were identified in Dazihao including 22 flavonoids,9 terpenes,8 coumarins,2 phenylpropanoids and 9 others.Conclusion:UPLC-Q-Exactive Orbitrap MS technology provides a simple and accurate method for the identification of chemical constituents in Dazihao and the results can provide references for the quality control,development and utilization of Dazihao.