Main chemical constituents of Shengui Capsules based on UHPLC-Q-Orbitrap HRMS / 中草药

ABSTRACT

Objective: In order to study the chemical profile of Shengui Capsules, a novel ultra high performance liquid chromatography-quadrupole/orbitrap high resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS) was applied to establish a method to recognize and classify the ingredients accurately and rapidly. Methods: ACQUITY UPLC® BEH C18 chromatographic column (100 mm × 2.1 mm, 1.7 μm) was employed and the separation was performed with the mobile phase consisting of acetonitrile-0.1% formic acid aqueous solution. The information of accurate mass and multistage fragment ions were obtained by the novel “monitored simultaneously for positive and negative ions, Full MS scan and automatic trigger secondary mass spectrometry” mode of Q-Orbitrap MS technology. Then, the complex chemical constituents would be identified by comparing the relative retention time and the mass data of the reference substance, and consulting the reference literature or Mass Bank, Chemical Book network database at the same time. Results: Forty chemical components were finally identified in this study, including the 16 tritepene saponins, 6 organic acids, 13 lactones, and 5 other classes. Conclusion: The method established in this study could be used to rapidly, accurately, and systematically identify the main chemical constituents of Shengui Capsules. Moreover, this study will lay a scientific preliminary foundation for the further pharmacodynamic material basis, quality control improvement and the rational clinical use.