基于UPLC-Q-Orbitrap HRMS方法的丹黄祛瘀胶囊中多种化学成分研究

The multiple constituents study of Danhuang Quyu Capsule based on UPLC-Q-Orbitrap HRMS

目的为系统阐明复方中药制剂丹黄祛瘀胶囊中的化学成分组成,建立一种同时对中药复杂成分实现精准、快速鉴定的高效分析方法。方法本研究采用超高效液相色谱-四级杆/静电场轨道阱高分辨质谱(UPLC-Q-Orbitrap HRMS),对丹黄祛瘀胶囊中的化学成分进行鉴定分析,通过UPLC-Q-Orbitrap HRMS扫描提供的化合物精确相对分子质量、多级碎片离子信息,同时与对照品的的相对保留时间和质谱数据进行比对,并结合相关参考文献从而实现对化合物鉴定的准确定性。结果共鉴定出59种化学成分,其中主要包括黄酮类、苯酞内酯类、醌类、单萜苷类、有机酸类及其他类。结论可系统、准确、快速地鉴定丹黄祛瘀胶囊中的多种化学成分,并为其药效物质基础及质量控制等研究提供了科学的理论依据。

Objective In order to clarify the chemical constituents in traditional Chinese medicine（TCM） compound preparation of Danhuang Quyu Capsule and establish an efficient analysis method for the identification of the complex components in TCM accurately and rapidly. Methods An ultra-high performance liquid chromatography-quadrupole/orbitrap high resolution mass spectrometry（UPLC-Q-Orbitrap HRMS） was used to perform an identification analysis of the chemical constituent in the Danhuang Quyu Capsule.This objective was achieved mainly depending on the information of the accurate mass and the multistage fragment ions obtained by UPLC-Q-Orbitrap, comparing the relative retention time and the massspectrometricdata of the standardsubstance and consulting the reference literature. Results Fifty nine compounds were identified in this study, including the flavones, phthalides, anthraquinones, alkaloids, monoterpene glycosides, organic acids, and other categories. Conclusion This study can identify various chemical constituents of Danhuang Quyu Capsule systematically, accurately and rapidly. What＇s more, the scientific theory basis will be provided for thepharmacodyamic material basis and the quality control of this drug at the same time.