Use of untargeted Liquid Chromatography–Mass Spectrometry metabolome to discriminate Italian monovarietal red wines, produced in their different terroirs

The aim of this project was to register in a LC-MS-based untargeted single-batch analysis, the metabolome of 11 single-cultivar, single-vintage Italian red wines (Aglianico, Cannonau, Corvina, Montepulciano, Nebbiolo, Nerello, Primitivo, Raboso, Sagrantino, Sangiovese and Teroldego) from 12 regions across Italy, each one produced in their terroirs under ad hoc legal frameworks to guarantee their quality and origin. The data provided indications regarding the similarity between the cultivars, and highlighted a rich list of putative Biomarkers of Origin Wines (pBOWs) characterizing each individual cultivar-terroir combination, where Primitivo, Teroldego and Nebbiolo had the maximum number of unique pBOWs. The pBOWs included anthocyanins (Teroldego), flavanols (Aglianico, Sangiovese, Nerello and Nebbiolo), amino acids and N-containing metabolites (Primitivo), hydroxycinnamates (Cannonau) and flavonols (Sangiovese). The raw data generated in this study are publicly available and, therefore, accessible and reusable as a baseline dataset for future investigations.