基于UPLC-Q-TOF-MS技术研究不同产地牡丹皮药材化学成分的差异

目的采用超高效液相色谱-飞行时间质谱(UPLC-Q-TOF-MS)对不同产地牡丹皮药材化学成分进行鉴定与比较分析。方法采用UPLC-Q-TOF-MS技术,结合化学成分数据库进行分析与鉴定。运用多元统计分析技术对实验结果进行分析与验证,并对差异化合物进行鉴定。对各指纹峰峰面积进行比较,结合化学成分鉴定结果进行分类分析。结果对不同产地牡丹皮药材的37种成分进行了鉴定,主要为没食子酰葡萄糖类、苯甲酸类、丹皮酚类、芍药苷类以及黄酮类。不同产地牡丹皮药材在组分种类和相对量上存在着一定的差异。采用主成分分析(PCA)将不同产地药材分别聚成不同组别;通过偏最小二乘聚类判别模式分析(PLS-DA)与正交偏最小二乘法辨别分析(OPLS-DA)筛选出5种差异化合物。结论实验结果为了解牡丹皮的化学物质基础与质量评价提供理论基础,为牡丹皮药材规格等级的制定提供依据。

Difference analysis of chemical compositions in Moutan Cortex from different origins by UPLC-Q-TOF-MS

Objective To identify and analyze the components of Moutan Cortex from different origins by UPLC-Q-TOF-MS technology. Methods UPLC-Q-TOF-MS technology combined with chemical composition database was used to identify and analyze the components of Moutan Cortex. The results were analyzed and verified by multivariate statistical analysis and the biomarkers were identified. Results The 37 components were identified in Moutan Cortex, the major components were galloyl glucoses, benzoic acids, paeonols, peoniflorins, and flavonoids. There were certain differences in the composition and content of Moutan Cortex from different origins. The medicinal materials from different origins were clustered into different groups respectively by principal component analysis (PCA). Five biomarkers were collected by partial least squares-discriminant analysis (PLS-DA) model and orthogonal partial least squares-discriminant analysis (OPLS-DA). Conclusion The experimental results provide a theoretical basis for understanding chemical material basis and quality evaluation of Moutan Cortex, also provide the basis for the development of Chinese medicinal materials specifications and grades.