Non-target metabolomics based on high-resolution mass spectrometry combined with chemometric analysis for discriminating geographical origins of Rhizoma Coptidis

Abstract

Non-target metabolomics, a novel analysis approach based on UPLC-HRMS combined with chemometric, was established for determining origins of Rhizoma Coptis and screening the differential markers. 11 powerful discrimination markers were firstly found and applied for determining the geographical origins of Rhizoma Coptis. Among them, Groenlandicine, Bicuculline, Berberine, Phellodendrine and Ethyl caffeate, as effective markers, were used for distinguishing the samples from Chongqing (CQ) and Sichuan (SC). Hydroprotopine, Chelidonine and Pinoresinol were used for distinguishing the samples from Chongqing (CQ) and Hubei (HB). Tetrandrine, Palmatine and Pycnamine were used for distinguishing the samples from HB and SC. Meanwhile, the reliable orthogonal partial least squares discriminant analysis (OPLS-DA) models were established based on these markers and the samples from different origins were successfully discriminated, as well as the accuracy was up to 100%. It showed that the established models could be used for predicting the geographic origins of unknown Rhizoma Coptidis samples, and those markers could provide a guidance for discriminating origins of Rhizoma Coptis. In conclusion, non-target metabolomics based on high-resolution mass spectrometry combined with chemometric could serve as a valid strategy to analyze the origins, such as Rhizoma Coptis.