The integration of multi-platform MS-based metabolomics and multivariate analysis for the geographical origin discrimination of Oryza sativa L.

For the authentication of white rice from different geographical origins, the selection of outstanding discrimination markers is essential. In this study, 80 commercial white rice samples were collected from local markets of Korea and China and discriminated by mass spectrometry-based untargeted metabolomics approaches. Additionally, the potential markers that belong to sugars & sugar alcohols, fatty acids, and phospholipids were examined using several multivariate analyses to measure their discrimination efficiencies. Unsupervised analyses, including principal component analysis and k-means clustering demonstrated the potential of the geographical classification of white rice between Korea and China by fatty acids and phospholipids. In addition, the accuracy, goodness-of-fit (R2), goodness-of-prediction (Q(2)), and permutation test p-value derived from phospholipidbased partial least squares-discriminant analysis were 1.000, 0.902, 0.870, and 0.001, respectively. Random Forests further consolidated the discrimination ability of phospholipids. Furthermore, an independent validation set containing 20 white rice samples also confirmed that phospholipids were the excellent discrimination markers for white rice between two countries. In conclusion, the proposed approach successfully highlighted phospholipids as the better discrimination markers than sugars & sugar alcohols and fatty acids in differentiating white rice between Korea and China. Copyright (C) 2017, Food and Drug Administration, Taiwan. Published by Elsevier Taiwan LLC. This is an open access article under the CC BY-NC-ND license.