title: Discrimination of wine attributes by metabolome analysis.
abstract: 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.
authors.affiliation: Centro de Biotecnología, Universidad Técnica Federico Santa María, General Bari 699, Valparaiso, Chile.
authors.forename: Alvaro
authors.initials: A
authors.lastname: Cuadros-Inostroza
authors.forename: Patrick
authors.initials: P
authors.lastname: Giavalisco
authors.forename: Jan
authors.initials: J
authors.lastname: Hummel
authors.forename: Aenne
authors.initials: A
authors.lastname: Eckardt
authors.forename: Lothar
authors.initials: L
authors.lastname: Willmitzer
authors.forename: Hugo
authors.initials: H
authors.lastname: Peña-Cortés
mesh_terms: D002853:Chromatography, Liquid; D013058:Mass Spectrometry; D055442:Metabolome; D036103:Nanotechnology; D015203:Reproducibility of Results; D014920:Wine / Q000032:analysis*