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

Abstract: 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.  

Key words: Magnoliae officinalis Cortex, LC-MS/MS, GC-MS/MS, chemical composition