Quality Evaluation of Danggui Buxue Decoction Based on Characteristic Spectrum and Chemical Pattern Recognition
Objective:To establish the ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spec-trometry(UPLC-Q-TOF-MS)characteristic spectrum of Danggui Buxue decoction,and to evaluate its quality comprehensively.Methods:The analysis was performed on a Waters Acquity UPLC BEH C18 column(100 mm × 2.1 mm,1.7 μm)with 0.1％for-mic acid water(A)-acetonitrile(B)solution for gradient elution.The flow rate was 0.3 mL/min and the injection volume was 2 uL.The mass spectrometry equipped with electrospray ionization(ESI)was used as detector and scanned under negative ion mode.The fingerprint similarity evaluation software combined with hierarchical cluster analysis(HCA),principal component analysis(PCA)and partial last squares discriminant analysis(PLA-DA)was used to evaluate the characteristics of 11 batches of Danggui Buxue decoction.Results:Twenty-four components were identified from Danggui Buxue decoction by reference materials comparison and software prediction.Forty-one common peaks were calibrated in the characteristic spectrum,and six chromatographic peaks were i-dentified,which were calycosin-7-O-β-D-glucoside,ferulic acid,ononin,calycosin,astragaloside IV and formononetin.HCA,PCA and PLS-DA were used to divide 11 batches of samples into 3 categories,and to distinguish Astragalus membranaceus ungraded goods,selected goods and refined pieces,indicating that the characteristic spectrum of Danggui Buxue decoction had a strong corre-lation with the quality and grade of the original medicinal materials.Conclusion:The constructed characteristic spectrum of high-resolution mass spectrometry combined with chemical pattern recognition is fast,efficient and comprehensive,which is suitable for the evaluation of the overall quality of Danggui Buxue decoction,and also provides an important support for the establishment of quality standards and quality control of TCM compounds.
万方数据
维普
