基于UPLC-Q-Orbitrap HRMS的天丹通络胶囊中化学成分研究

Study on chemical constituents of Tiandan Tongluo Capsule based on UPLC-Q-Orbitrap HRMS

目的系统阐明复方中药制剂天丹通络胶囊中的化学成分组成,同时建立一种可以实现对中药复杂成分进行精准、快速鉴定的高效分析方法。方法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),对天丹通络胶囊中的化学成分进行鉴定分析,通过UPLC-Q-Orbitrap MS扫描提供的化合物精确相对分子质量、多级碎片离子信息,同时与对照品的相对保留时间和质谱数据进行比对,并结合相关参考文献及数据库从而实现对化合物的准确定性。结果共鉴定出40种化学成分,其中主要包括酚酸类、醌类、黄酮类、苯酞内酯类、脂肪酸类及其他类。结论本研究可系统、准确、快速地鉴定天丹通络胶囊中的多种化学成分,并为其药效物质基础及质量控制研究提供了科学的理论依据。

Objective To clarify the chemical constituents of Tiandan Tongluo Capsule and establish a precise and effective identification method for the complex composition of TCM. Methods This objective was achieved mainly depending on the information of the accurate mass and the multistage fragment ions obtained by ultra-high performance liquid chromatography-quadrupole/orbitrap high resolution mass spectrometry（UPLC-Q-Orbitrap HRMS）, comparing the relative retention time and the mass spectrometric data of the standard substance and consulting the reference literature. Results Forty compounds were identified in this study, including the phenoliacids, anthraquinones, flavones, phthalides, fatty acids, and the others. ConclusionThis study can identify various chemical constituents of Tiandan Tongluo Capsule systematically, accurately, and rapidly. Moreover, the scientific theory basis will be provided for the pharmacodyamic material basis and the quality control of this drug at the same time.