基于液质联用-模式识别方法的不同产地白术和於术的成分分析

Component analysis of Atractylodes macrocephala Koidz.and Atractylodes macrocephalacv.Yuzhu from different regions based on liquid chromatography-mass spectrometry pattern recognition

目的对不同产地白术和於术的化学成分进行比较分析,鉴定差异成分,为白术和於术药材的质量评价和道地性研究提供依据。方法以ZORBAX Eclipse XDB-C_(18) Analytica(l 4.6 mm×250 mm,5μm)为色谱柱,以乙腈为流动相B,水为流动相C,洗脱梯度;柱温35℃;流速为1 ml/min;并采用UPLC-Triple-TOF 6600+飞行时间液质联用仪,正负离子扫描模式。结合化学模式识别聚类分析、主成分分析和偏最小二乘判别分析寻找不同产地白术和於术的差异性成分。结果不同产地白术和於术的化学成分存在明显差异,共鉴定出5个差异成分,分别为白术内酯Ⅰ、Atractylmacrol D、Isoasterolide A、白术内酯Ⅱ和白术内酯Ⅲ。浙白术的5个差异成分含量显著高于其他产地白术;於术中的Atractylmacrol D、Isoasterolide A、白术内酯Ⅱ和白术内酯Ⅲ成分含量高于各产地白术。结论不同产地白术和於术的化学成分有所差异,具有较明显的产地特异性,於术的有效成分含量优于白术,浙白术的有效成分含量优于其他产地白术。本研究为评价白术和於术的质量和道地性提供了科学参考。

Objective To compare and analyze the chemical components of Atractylodes macrocephala Koidz.and Atractylodes macrocephalacv.Yuzhu from different regions,identify the different components,and provide a basis for quality evaluation and authentic research of Atractylodes macrocephala Koidz.and Atractylodes macrocephalacv.Yuzhu.Methods ZORBAX Eclipse XDB-C_(18) Analytical(4.6 mm×250 mm,5μm)was used as chromatographic column,acetonitrile as mobile phase B,water as mobile phase C,with an elution gradient,column temperature of 35℃and flow rate of 1 ml/min;UPLC-Triple-TOF 6600+time-of-flight liquid mass spectrometer and positive and negative ion scanning mode were adopted.Combined with chemical pattern recognition cluster analysis,principal component analysis and partial least squares discriminant analysis,the different components of Atractylodes macrocephala Koidz.and Atractylodes macrocephalacv.Yuzhu from different regions were found.Results There were significant differences in the chemical composition of Atractylodes macrocephala Koidz.and Atractylodes macrocephalacv.Yuzhu from different regions,with a total of 5 different components identified,namely AtractylolideⅠ,Atractylochrome D,Isosterolide A,AtractylolideⅡ,and AtractylolideⅢ.The content of five different components in Atractylodes macrocephala Koidz.was significantly higher than that in other regions.The content of Atractylmacrol D,Isosterolide A,AtractylolideⅡ,and AtractylolideⅢcomponents in Atractylodes macrocephalacv.Yuzhu was higher than that of Atractylodes macrocephala Koidz.from various regions.Conclusion There are differences in the chemical composition of Atractylodes macrocephala Koidz.and Atractylodes macrocephalacv.Yuzhu from different regions,with significant locality specificity.The effective composition content of Atractylodes macrocephalacv.Yuzhu is better than that of Atractylodes macrocephala Koidz.,while the effective composition content of Zhejiang Atractylodes macrocephala Koidz.is better than that of Atractylodes macrocephala Koidz.from other regions.This study provides a scientific reference for evaluating the quality and geoherbalism of Atractylodes macrocephala Koidz.and Atractylodes macrocephalacv.Yuzhu.