The chemical composition of any wine sample contains numerous small molecules largely derived from three different sources: the grape berry, the yeast strain used for fermentation, and the containers used for wine making and storage. The combined sum of these small molecules present in the wine, therefore, might account for all wine specific features such as cultivar, vintage, origin, and quality. Still, most wine authentication procedures rely either on subjective human measures or if they are based on measurable features, they include a limited number of compounds. In this study, which is based on an untargeted UPLC-FT-ICR-MS-based approach, we provide data, demonstrating that unbiased and objective analytical chemistry in combination with multivariate statistical methods allows to reproducible classify/distinguish wine attributes like variety, origin, vintage, and quality.
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