基于UPLC-Q-Exactive Orbitrap MS代谢组学技术筛选不同基原小檗皮品种鉴别的指标性成分

目的 研究不同基原小檗皮药材（甘肃小檗Berberidis kansuensis Schneid.、鲜黄小檗B.diaphana Maxim.、匙叶小檗B.vernae Schneid.和刺红珠B.dictyophylla Franch.）的整体化学成分差异，筛选品种鉴别的指标性成分。方法 采用超高效液相色谱-串联四级杆静电场轨道阱质谱（UPLC-Q-Exactive Orbitrap MS）代谢组学技术，分析不同基原小檗皮药材的整体化学成分，结合主成分分析（principal component analysis，PCA）、偏最小二乘判别分析（partial least-squares discrimination analysis，PLS-DA）和方差分析筛选不同基原鉴别的化学标志物。结果 共鉴定了47个化学成分，包括24个生物碱类、12个有机酸类及其衍生物、5个糖类及其衍生物，以及6个其他类成分。筛选出药根碱、四氢巴马汀、蟾毒色胺内盐等12个化学标志物。结论 UPLC-Q-Exactive Orbitrap MS代谢组学技术结合化学计量学方法，可有效阐明小檗皮不同基原药材的化学成分差异，为其品种鉴别和质量控制提供了参考依据。

Selection of indicative components for identification of different species of Berberidis Cortex based on UPLC-Q-Exactive Orbitrap MS metabolomics

Objective To study the differences in the overall chemical composition of different species of Berberidis Cortex (Berberidis kansuensis, B. diaphana, B. vernae, and B. dictyophylla), and to select the chemical markers for species identification.Methods Ultra high performance liquid chromatography-Q-exactive orbitrap-mass spectrometry (UPLC-Q-Exactive Orbitrap MS) metabolomics was used to analyze the overall chemical composition of different species of Berberidis Cortex, combined with principal component analysis (PCA), partial least square discriminant analysis (PLS-DA) and variance analysis to select chemical markers for identification.Results A total of 47 chemical components were identified, including 24 alkaloids, 12 organic acids and their derivatives, 5 sugars and their derivatives, and 6 other components. Twelve chemical markers, such as jatrorrhizine, tetrahydropalmatine and bufotenidine, were screened out.Conclusion UPLC-Q-Exactive Orbitrap MS metabonomics combined with chemometric methods can effectively clarify the chemical composition differences of different species of Berberidis Cortex, and provide a reference for the identification and the quality control of Berberidis Cortex.