基于UPLC-Q-TOF/MS的肿节风化学成分分析  

Analysis of chemical components of Sarcandrae Herba based on UPLC-Q-TOF/MS

作　　者：邵坚 熊艳霞 谢斌 陈芳 朱玉野[2] 袁恩[2] 李诒光 SHAO Jian;XIONG Yan-xia;XIE Bin;CHEN Fang;ZHU Yu-ye;YUAN En;LI Yi-guang(Jiangzhong pharmaceutical co.LTD.,Nanchang 330004,China;Jiangxi University of TCM,Nanchang 330004,China)

机构地区：[1]江中药业股份有限公司,南昌330004 [2]江西中医药大学,南昌330004

出　　处：《药物分析杂志》2021年第6期1054-1063,共10页Chinese Journal of Pharmaceutical Analysis

基　　金：江西省重点研发计划重点项目(20171ACG70009);江西省中医药科技计划项目(2019B097)。

摘　　要：目的:利用超高效液相色谱-串联四极杆飞行时间高分辨率质谱(UPLC-Q-TOF/MS)技术快速表征肿节风中的化学成分,进一步分析越南与江西产肿节风化学成分的差异。方法:采用Waters CORTECS C18色谱柱(100 mm×2.1 mm,1.6μm),以乙腈(A)-0.1%甲酸水溶液(B)为流动相,梯度洗脱,流速0.5mL·min^(-1),柱温25℃;质谱数据采集为负离子模式扫描。通过高分辨质荷比、同位素丰度、Massbank数据库结合化合物本身裂解规律进行肿节风化学成分快速表征。将质谱数据导入MarkView进行去噪、峰对齐、峰识别等得到矩阵数据;并将矩阵数据导入SIMCA-P 14.1(Umetrics,ume?,Sweden)软件,进行正交偏最小二乘-判别分析(OPLS-DA)和化学成分的关联性分析。结果:共鉴定出肿节风中19个化学成分,主要包括有机酸8个、黄酮7个、香豆素2个、倍半萜2个;筛选出越南与江西产肿节风中差异成分8个。结论:该UPLC-Q-TOF/MS方法可实现肿节风中19个化学成分的快速鉴定及不同产地肿节风差异性分析,为肿节风药效物质基础研究及扩大肿节风资源利用范围提供参考。Objective:To analyze and identify main chemical constituents in Sarcandrae Herba by UPLC-Q-TOF/MS.Furthermore,to analyze the differences of chemical constituents between Zhongjiefeng from Vietnam and Jiangxi.Methods:Waters CORTECS C18(2.1 mm×100 mm,1.6μm)column was used with gradient elution consisting of acetonitrile(A)and 0.1%formic acid in water(B)at a flow rate of 0.5 mL·min^(-1).The column temperature was set at 25℃.The mass spectrometry data was collected by negative ions mode scanning.The rapid characterization of the chemical constituents of Sarcandrae Herba was carried out by high resolution mass to charge ratio,isotope abundance and Massbank database in combination with the fragmentation pathway of the compound.The mass spectra were imported into MarkView for denoising,peak alignment and peak recognition to obtain matrix data.The matrix data were imported into SIMCA-P 14.1(Umetrics,umea,Sweden)software for OPLS-DA and correlation analysis of chemical constituents.Results:A total of 19 compounds in Sarcandrae Herba were identified,including 8 organic acids,7 flavonoids,2 coumarins and 2 sesquiterpene.Eight different components were found in Zhongjiefeng from Jiangxi and Vietnam.Conclusion:The method of UPLC-Q-TOF/MS characterize chemical components in Sarcandrae Herba rapidly and can discriminate chemical component differences between producing areas.It provides a reference for the basic research on pharmacodynamic substance and expanding resources utilization area of Sarcandrae Herba.

关 键 词：肿节风 有机酸 黄酮 香豆素 倍半萜 超高效液相色谱-串联四极杆飞行时间高分辨率质谱 裂解规律 资源 

分 类 号：R917[医药卫生—药物分析学]