Supplementary material for "Compounds with antiviral, anti-inflammatory and anticancer activity identified in wine via high resolution mass spectrometry and bioinformatics analyses"

Wine contains a variety of molecules with potential beneficial effects on human health. Our aim was to examine the wine components with high-resolution mass spectrometry including high-resolution tandem mass spectrometry in two wine types made from grapes with or without the fungus Botrytis cinerea, or “noble rot.” For LC-MS/MS analysis, 12 wine samples (7 without and 5 with noble rotting) from 4 different wineries were used and wine components were identified and quantified. 288 molecules were identified in the wines and the amount of 169 molecules was statistically significantly different between the two wine types. A database search was carried out to find the molecules, which were examined in functional studies so far, with high emphasis on molecules with antiviral, anti-inflammatory and anticancer activities. A comprehensive functional dataset related to identified wine components is also provided highlighting the importance of components with potential health benefits.