Untargeted metabolomics analysis based on LC-IM-QTOF-MS for discriminating geographical origin and vintage of Chinese red wine

Identifying wine geographical origin and vintage is vital due to the abundance of fraudulent activity associated with wine mislabeling of region and vintage. In this study, an untargeted metabolomic approach based on liquid chromatography/ion mobility quadrupole time-of-flight mass spectrometry (LC-IM-QTOF-MS) was used to discriminate wine geographical origin and vintage. Wines were well discriminated according to region and vintage with orthogonal partial least squares-discriminant analysis (OPLS-DA). The differential metabolites subsequently were screened by OPLS-DA with pairwise modeling. 42 and 48 compounds in positive and negative ionization modes were screened as differential metabolites for the discrimination of different wine regions, and 37 and 35 compounds were screened for wine vintage. Furthermore, new OPLS-DA models were performed using these compounds, and the external verification trial showed excellent practicality with an accuracy over 84.2%. This study indicated that LC-IM-QTOF-MS-based untargeted metabolomics was a feasible tool for wine geographical origin and vintage discrimination.