基于LC-MS/MS和GC-MS/MS技术分析“川朴”与“温朴”的差异化学成分  

Difference of Chemical Compositions in “Chuanpu” and “Wenpu” Based on LC-MS/MS and GC-MS/MS

作　　者：赵慧[1] 严颖[1] 邹立思[1] 刘训红[1] 柴川[1] 华愉教 王胜男[1] ZHAO Hui;YAN Ying;ZOU Lisi;LIU Xunhong;CHAI Chuan;HUA Yu jiao;WANG Shengnan(School of Pharmacy,Nanjing University of Chinese Medicine,Nanjing 210023,China)

机构地区：[1]南京中医药大学药学院,南京210023

出　　处：《天然产物研究与开发》2018年第1期1-9,共9页Natural Product Research and Development

基　　金：江苏高校优势学科建设工程资助项目(YSXK-2014);江苏高校品牌专业建设工程资助项目(PPZY2015A070)

摘　　要：为了探讨厚朴不同商品规格药材化学成分的整体差异,本文采用液相色谱-串联四极杆飞行时间高分辨质谱(LC-Triple TOF MS/MS)和气相色谱-串联质谱(GC-MS/MS)结合多元统计分析技术对"川朴"与"温朴"的化学成分进行比较分析。通过串联质谱分析,对其质谱数据进行峰匹配、峰对齐、滤噪处理等进行特征峰提取;用主成分分析(PCA)和偏最小二乘法-判别分析(PLS-DA)进行数据处理。非挥发性成分的LC-Triple TOF MS/MS分析,根据一级质谱精确质荷比和二级质谱碎片信息,结合软件数据库搜索、标准品比对及相关文献进行成分鉴定;挥发性成分的GC-MS/MS分析,质谱图与NIST05质谱数据库匹配及参照相关文献进行成分鉴定。结果显示,"川朴"与"温朴"样品间的化学组成得到明显区分;初步筛选并鉴定出21种非挥发性差异成分和9种挥发性差异成分。该结果从化学角度为建立"川朴"与"温朴"药材辨识的新方法以及厚朴商品药材质量的综合评价提供基础资料。In order to investigate the differences of chemical compositions in Magnoliae officinalis Cortex from different commercial specifications,LC-Triple TOF MS/MS and GC MS/MS,combined with multivariate statistical analysis were used to investigate the chemical compositions of“Chuanpu”and“Wenpu”.Through the analysis of the tandem mass spectrometry,the characteristic peaks were extracted with mass spectrometry data peak matching,peak alignment,noise filtering.Principal component analysis(PCA)and partial least squares discriminant analysis(PLS-DA)were used for data processing.The LC-Triple TOF MS/MS was used to analyze the nonvolatile chemical compositions.The compositions were identified according to MS accurate mass and MS/MS spectrometry fragmentation information,combined with the software of database search,comparison with reference standards and literature.The GC-MS/MS was used to analyze the volatile chemical compositions.The compositions were identified according to the NIST05 library and literature.The results showed that the chemical compositions in“Chuanpu”and“Wenpu”were clearly distinguished.Twenty one nonvolatile chemical compositions and nine volatile chemical compositions were identified.From the perspective of chemical composition,this result provided experimental data for establishing a new method of the identification in“Chuanpu”and“Wenpu”and comprehensive evaluation of the quality of Magnoliae officinalis Cortex.

关 键 词：厚朴 液相色谱串联四极杆飞行时间高分辨质谱 气相色谱串联质谱 化学成分 

分 类 号：R284[医药卫生—中药学]