Non-targeted Metabolite Profiling for Quality Evaluation of Glechoma longituba from Different Geographical Origins by UPLC/QTOF-MSE Combined with Chemometrics Methods / 中国药学杂志

ABSTRACT

OBJECTIVE: To develop a comprehensive strategy integrateded with chemometrics methods for quality evaluation of Glechoma longituba(GL) from different geographical origins. METHODS: The chemical differentiation of 22 batches of GL were performed by UPLC/QTOF-MSE coupled with UNIFITM software. To evaluate the quality of GL from different geographical origins, the principal component analysis (PCA) was developed to analyze the MSE data of 22 batches of GL. To find the markers, the orthogonal partial least squares discriminant analysis (OPLS-DA) was adopted to analyze the MSE data of 22 batches of GL. RESULTS: A total of 31 compounds including 8 phenolic acids, 14 flavones, 7 terpenes, 1 organic acid and 1 coumarin were unambiguously or tentatively identified in the GL from Guangxi province. And 14 compounds were reported for the first time. Twenty-two batches of GL were well gathered and segregated into two different groups scattering in the score plot of PCA by MarkerLynx XS. The result of PCA showed that the chemical compositions of GL from Anhui province had obvious difference with those from other provinces. Based on the S-Plot from the score plot of OPLS-DA, the differential component of GL from Anhui province was tentatively identified as terpene. CONCLUSION: The integrated strategy facilitates authentication of herbal medicines of different origins in a more efficient and more intelligent manner.