基于UPLC-Q-Orbitrap HRMS技术的参坤养血颗粒化学成分研究

目的为系统研究参坤养血颗粒的化学成分,采用超高效液相色谱-四级杆/静电场轨道阱高分辨质谱(UPLCQ-Orbitrap HRMS)法建立一种快速、准确识别中药中复杂化学成分的定性分析方法。方法通过UPLC-Q-Orbitrap HRMS捕捉化合物的精准相对分子质量以及多级碎片离子信息,同时将其与对照品的保留时间和质谱信息进行比对,并结合相关参考文献或Chemical Book等数据库信息最终实现对未知化合物的快速、准确定性。结果从参坤养血颗粒中共鉴定出51种化学成分,主要包括有机酸类、黄酮类、醌类、苷类和其他类。结论建立的方法可快速、准确、系统地识别参坤养血颗粒中多种化学成分,并为其质量控制、药效物质基础研究及进一步的临床应用提供扎实的理论依据和科学的研究思路。

Chemical constituents of Shenkun Yangxue Granules based on UPLC-Q-Orbitrap HRMS

Objective To study the chemical compositions of Shenkun Yangxue Granules. A novel ultra high performance liquid chromatography-quadrupole/orbitrap high resolution mass spectrometry (UPLC-Q-Orbitrap HRMS) was established to rapidly and accurately recognize the complex chemical constituents of Chinese materia medica. Methods The information of accurate mass in Full-MS and multistage fragment ions was obtained by UPLC-Q-Orbitrap HRMS technology. Chemical constituents were identified by comparing their relative retention times and the mass data with those of reference substances, as well as consulting the reference literature or Chemical Book Network Database. Results Fifty-one compounds were finally identified from Shenkun Yangxue Granules, including the organic acids, flavones, quinones, glycosides, and others. Conclusion The method established in this study can identify various chemical constituents of Shenkun Yangxue Granules rapidly, accurately and systematically. What''s more, our research will lay a sound theoretical foundation and scientific study idea for improving the quality control, bioactive components recognition and further clinical application of this herbal formulation.