Ultrafast Polyphenol Metabolomics of Red Wines Using MicroLC-MS/MS.

The taste and quality of red wine are determined by its highly complex mixture of polyphenols and many other metabolites. No single method can fully cover the full metabolome, but even for polyphenols and related compounds, current methods proved inadequate. We optimized liquid chromatography resolution and sensitivity using 1 mm i.d. columns with microLC pumps and compared data-dependent to data-independent (SWATH) MS/MS acquisitions. A high-throughput microLC-MS method was developed with a 4 min gradient at 0.05 mL/min flow rate on a Kinetex C18 column and Sciex TripleTOF mass spectrometry. Using the novel software MS-DIAL, we structurally annotated 264 compounds including 165 polyphenols in six commercial red wines by accurate mass MS/MS matching. As proof of concept, multivariate statistics revealed the difference in the metabolite profiles of the six red wines, and regression analysis linked the polyphenol contents to the taste of the red wines.