Gas chromatography-mass spectrometry and multivariate curve resolution were applied to the differential analysis of the volatile components inAgrimonia eupatoriaspecimens from different plant parts. After extracted with water distillation method, the volatile components inAgrimonia eupatoriafrom leaves and roots were detected by GC-MS. Then the qualitative and quantitative analysis of the volatile components in the main root ofAgrimonia eupatoriawas completed with the help of subwindow factor analysis resolving two-dimensional original data into mass spectra and chromatograms. 68 of 87 separated constituents in the total ion chromatogram of the volatile components were identified and quantified, accounting for about 87.03% of the total content. Then, the common peaks in leaf were extracted with orthogonal projection resolution method. Among the components determined, there were 52 components coexisting in the studied samples although the relative content of each component showed difference to some extent. The results showed a fair consistency in their GC-MS fingerprint. It was the first time to apply orthogonal projection method to compare different plant parts ofAgrimonia eupatoria, and it reduced the burden of qualitative analysis as well as the subjectivity. The obtained results proved the combined approach powerful for the analysis of complexAgrimonia eupatoriasamples. The developed method can be used to further study and quality control ofAgrimonia eupatoria.
ADAP-GC 4.0: Application of Clustering-Assisted Multivariate Curve Resolution to Spectral Deconvolution of Gas Chromatography–Mass Spectrometry Metabolomics Data
