Analysis of chemical compositions in different parts of Isodon japonicus using UPLC-Q-TOF-MS technique combined with chemometrics
In order to analyze the similarities and differences of chemical compositions between the roots and stems and leaves of Isodon japonicus(IJ),this study utilized UPLC-Q-TOF-MS technology to systematically characterize its chemical compositions,ana-lyzed and identified the structure of its main compounds,and established a method for simultaneous determination of its content by refe-rence substance.A total of 34 major compounds in IJ,including 14 reference compounds,were identified or predicted online.Moreo-ver,an UPLC-UV content determination method was developed for 11 compounds[danshensu,caffeic acid,vicenin-2,(1S,2S)-globoidnan B,rutin,(+)-rabdosiin,(-)-rabdosiin,(1S,2S)-rabdosiin,shimobashiric acid C,rosmarinic acid,and pedalitin].The method exhibited excellent separation,stability,and repeatability,with a wide linear range(0.10-520.00 μg·mL-1)and high lineari-ty(R2>0.999).The average recovery rates ranged from 94.72%to 104.2%.The principal component analysis(PCA)demonstrated a clear difference between the roots and stems and leaves of IJ,indicating good separation by cluster.Furthermore,the orthogonal par-tial least squares discriminant analysis(OPLS-DA)model was employed,and six main differentially identified compounds were identi-fied:rosmarinic acid,shimobashiric acid C,epinodosin,pedalitin,rutin,and(1S,2S)-rabdosiin.In summary,this study established a strategy and method for distinguishing different parts of IJ,providing a valuable tool for quality control of IJ and a basis for the ratio-nal utilization and sustainable development of IJ.
Isodon japonicusrootstem and leafUPLC-Q-TOF-MSflavonoidsphenylpropanoid
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