UPLC-Q-TOF/MS-based untargeted metabolomics for discrimination of navel oranges from different geographical origins of China

Abstract Navel oranges (Citrus sinensis. Newhall) are widely planted in several major production areas in southern China, with the Gannan region being the most distinctive. In this study, UPLC-Q-TOF/MS was used to discriminate the geographical origin of navel oranges harvested from distinct production areas in China. Results showed that the unsupervised analysis (PCA) explained 30.8% of the total variance, whereas supervised analysis (OPLS-DA) with cross-validated R2Y and Q2 values of 0.991 and 0.914, respectively, can obtain potential metabolites with better discrimination between Gannan and Non-Gannan regions. Forty-two potential differential metabolites with VIP >1.0 and P   0.7 and P