2014/11/13 by Chloé Roullier-Gall, Michael Witting, Régis D. Gougeon +1 · 1 voice · 2 citations
Agricultural and Biological Sciences · Biochemistry, Genetics and Molecular Biology · #Fermentation and Sensory Analysis #Horticultural and Viticultural Research #Metabolomics and Mass Spectrometry Studies
paper · pdf · doi:10.3389/fchem.2014.00102
openalex publication_date 2014/11/13 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
An overview of the critical steps for the non-targeted Ultra-High Performance Liquid Chromatography coupled with Quadrupole Time-of-Flight Mass Spectrometry (UPLC-Q-ToF-MS) analysis of wine chemistry is given, ranging from the study design, data preprocessing and statistical analyses, to markers identification. UPLC-Q-ToF-MS data was enhanced by the alignment of exact mass data from FTICR-MS, and marker peaks were identified using UPLC-Q-ToF-MS(2). In combination with multivariate statistical tools and the annotation of peaks with metabolites from relevant databases, this analytical process provides a fine description of the chemical complexity of wines, as exemplified in the case of red (Pinot noir) and white (Chardonnay) wines from various geographic origins in Burgundy.