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    UPLC-Q-TOF-MS快速分析藿香正气合剂化学成分及成分差异

    Rapid Identification and Comparative Analysis of Chemical Constituents in Huoxiang Zhengqi Mixture Based on UPLC-Q-TOF-MS

      摘要
    • 摘要:
      目的 基于UPLC-Q-TOF-MS法对藿香正气合剂化学成分进行快速分析，并确定出不同生产企业之间的差异性成分。
      方法 采用Waters Acquity BEH C18 色谱柱(2.1 mm×100 mm，1.7 μm)，流动相为乙腈-0.1%甲酸水溶液，梯度洗脱，流速0.3 mL·min−1，结合Masslynx V4.2在正负离子模式下进行数据采集，利用Portal分析软件，对比对照品图谱，参考相关文献，分析推断藿香正气合剂的化学成分；利用PCA与OPLS-DA筛选出2种方法下的共同差异性成分。
      结果 共分析和表征出224个化合物，其中，黄酮类76个，萜类48个，苯丙素类25个，有机酸类18个，生物碱类12个，及少数醌类及维生素类等其他类型化合物，筛选出差异性化合物22个。
      结论 该方法稳定可靠，全面表征了藿香正气合剂的化学成分谱，可为藿香正气合剂的药效物质基础研究、质量标准化及质量控制提供参考，并可为其临床应用提供理论基础。

       

      Abstract:
      OBJECTIVE To analyze the chemical compositions of Huoxiang Zhengqi mixture(HXZQM) by UPLC-Q-TOF-MS, and determine the different components of HXZQM from different manufacturers.
      METHODS The chromatographic column was Waters Acquity BEH C18(2.1 mm×100 mm, 1.7 μm) and the mobile phase was acetonitrile-0.1% formic acid aqueous solution under gradient elution at a flow rate of 0.3 mL·min−1. Mass spectrometry data were acquired in both positive and negative ion modes using Masslynx V4.2 software. By utilizing Portal analysis software, comparing with reference standards, and consulting relevant literature, the chemical components of the HXZQM were comprehensively identified and inferred. The common differential components under the two methods were screened out by using PCA and OPLS-DA.
      RESULTS The 224 chemical compositions were analyzed and characterized, including 76 flavonoids, 48 terpenes, 25 phenylpropanes, 19 organic acids, 12 alkaloids, and a few quinones, vitamins and other compounds, 22 differential compounds were screened out.
      CONCLUSION The method is stable and reliable, and this study comprehensively and rapidly analyzes the chemical composition of HXZQM, can provide reference for the basic research, quality standardization and quality control of HXZQM, and provide a theoretical basis for its clinical application.

       

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