UPLC-Q-TOF-MS分析芍药汤水煎液化学成分

Analysis of Chemical Constituents of Shaoyao Decoction by UPLC-Q-TOF-MS

目的:采用超高效液相色谱-四级杆-飞行时间质谱法(UPLC-Q-TOF-MS)研究芍药汤水煎液主要化学成分。方法:采用Waters ACQUITY UPLC CSH C18色谱柱(100 mm×2.1 mm,1.7μm),柱温25℃,流动相0.1%甲酸-乙腈,梯度洗脱;体积流量0.4 mL·min^(-1);飞行时间质谱采用正、负离子扫描模式。通过对比对照品和文献报道的质谱数据,分析保留时间、精确分子离子峰和二级质谱裂解碎片,对芍药汤水煎液主要化学成分进行定性分析。结果:从芍药汤水煎液中鉴定出33个成分,其中7个萜类化合物、3个蒽醌类化合物、10个黄酮类化合物、8个生物碱类化合物。结论:初步明确了芍药汤水煎液中的化学成分,为其药效物质基础研究提供参考。

Objective:To establish a liquid chromatography-tandem quadrupole-time-of-flight mass spectrometry(UPLC-Q-TOF-MS)method for the analysis of the chemical constituents of Shaoyao Decoction.Methods:Waters ACQUITY UPLC CSH C18 chromatographic column(100 mm×2.1 mm,1.7μm),column temperature 25℃,mobile phase 0.1%formic acid-acetonitrile,gradient elution,volume flow rate 0.4 mL·min^(-1),time-of-flight mass spectrometry,positive and negative ion scanning mode were used for analysis.Mass spectrometry data were analyzed by comparison of reference materials and literature reports.Results:33 compounds were identified in Shaoyao Decoction,including 7 terpenoids,3 anthraquinones,10 flavonoids and 8 alkaloids.Conclusion:The results further clarify the chemical constituents of Shaoyao Decoction and provide a basis for the study of its pharmacodynamic substances.