Establishment of Rapid Classification Model Between Saposhnikoviae Radix and Libonotidis Radix by HPLC-Q-TOF-MS Coupled with Multivariate Statistical Analyses and Identification of Discrimination Marker by NMR

OBJECTIVE To analyze the difference of chemical compositions in Saposhnikoviae Radix and Libonotidis Radix, and to establish a specific identification method. METHODS The mass spectrometry data of Saposhnikoviae Radix and Libonotidis Radix from different habitats were acquired by HPLC-Q-TOF-MS. After the characteristic peaks were extracted with mass spectrometry data peak matching, peak alignment and noise filtering, the rapid classification model was established by principal component analysis and cluster analysis. The characteristic chemical composition were identified according to MS accurate mass and MS/MS spectrometry fragmentation information, combined with the chemical shift, spectral intensity and coupling constant in NMR. RESULTS The results of principal component analysis and cluster analysis were indicated significant differences in the characteristic peaks between Saposhnikoviae Radix and Libonotidis Radix. The discrimination marker of Xanthalin was isolated and identified in Libonotidis Radix. CONCLUSION From the perspective of chemical composition, this results provide experimental data for establishing a new method of the identification Saposhnikoviae Radix and Libonotidis Radix. The method is sensitive, accurate and reliableand for the quality control of Saposhnikoviae Radix.