基于UPLC-Q-TOF-MSE技术分析柴胡加龙骨牡蛎汤化学成分及入血成分

    Identification of Chemical Constituents and Blood-absorbed Ingredients of Chaihu-Jia-Longgu-Muli Decoction by UPLC-Q-TOF-MSE

    • 摘要:
      目的 应用超高液相色谱-四级杆飞行时间质谱联用(UPLC-Q-TOF-MSE)技术结合UNIFI软件对柴胡加龙骨牡蛎汤化学成分及入血成分进行快速鉴定,同时分析其裂解规律。
      方法 采用ChromCore C18(3.0 mm×100 mm,3 μm)色谱柱,以乙腈(A)-0.1%甲酸水溶液(B)为流动相进行梯度洗脱,流速为0.3 mL·min−1,进样量为10 μL,分别于正、负离子模式对柴胡加龙骨牡蛎汤水体物及含药血浆进行质谱检测。使用UNIFI软件依据相对分子质量、特征碎片离子、保留时间等信息对化合物进行自动检索匹配,同时结合标准品和文献对柴胡加龙骨牡蛎汤的化学成分及入血成分进行定性鉴定。
      结果 本研究从柴胡加龙骨牡蛎汤中初步鉴定102种化合物,包括38种皂苷、32种黄酮、12种多酚类化合物、9种蒽醌类化合物以及11种其他类化合物;从大鼠血浆样品中共鉴定出21种原型成分,10种成分来源于人参,5种成分来源于黄芩,2种成分来源于柴胡,2种成分来源于大黄,2种成分来源于半夏,1种成分来源于生姜。
      结论 应用UPLC-Q-TOF-MSE技术结合UNIFI软件可以快速准确地分析柴胡加龙骨牡蛎汤的化学成分及入血成分,初步阐明了柴胡加龙骨牡蛎汤的药效物质基础,为柴胡加龙骨牡蛎汤后续的药效学研究及质量控制提供依据。

       

      Abstract:
      OBJECTIVE  To rapidly identify the chemical constituents and blood-absorbed ingredients of Chaihu-Jia-Longgu-Muli decoction and analyze its cracking rule by UPLC-Q-TOF-MSE technology combined with UNIFI software.
      METHODS ChromCore C18 (3.0 mm×100 mm, 3 μm)column was used for gradient elution with acetonitrile(A)-0.1% formic acid aqueous solution(B) as the mobile phase, the flow rate was 0.3 mL·min−1, and the sample size was 10 μL. Mass spectrometry was used to detect the water substance and drug-containing plasma of Chaihu-Jia-Longgu-Muli decoction in positive and negative ion modes, respectively. UNIFI software was used to automatically search and match compounds according to relative molecular weight, characteristic fragment ion, retention time and other information, and qualitative identification of compounds was performed in combination with standards and literature.
      RESULTS  One hundred and two compounds were identified in this study, including 38 saponins, 32 flavonoids, 12 polyphenols, 9 anthraquinones and 11 other compounds. A total of 21 prototype consituent were identified from rat plasma samples, 10 from Ginseng Radix Et Rhizoma, 5 from Scutellaria Baicalensis, 2 from Bupleuri Radix, 2 from Rhei Radix et Rhizoma, 2 from Pinellia Rhizoma and 1 from Zingiberis Rhizoma Recens.
      CONCLUSION  The application of UPLC-Q-TOF-MSE technology combined with UNIFI software can quickly and accurately analyze the chemical constituents and blood-absorbed ingredient of Chaihu-Jia-Longgu-Muli decoction, and initially clarify the pharmacodynamic material basis of Chaihu-Jia-Longgu-Muli decoction, which provides a basis for subsequent pharmacodynamic research and quality control of Chaihu-Jia-Longgu-Muli decoction.

       

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