High precision mass measurements for wine metabolomics

Area of Science:

• Analytical Chemistry
• Food Chemistry
• Metabolomics

Background:

• Wine chemistry analysis is complex and requires advanced techniques.
• Non-targeted metabolomics provides a comprehensive view of chemical profiles.
• Understanding wine's chemical complexity is crucial for quality assessment and origin determination.

Purpose of the Study:

• To provide a comprehensive overview of critical steps for non-targeted UPLC-Q-ToF-MS analysis of wine chemistry.
• To detail data preprocessing, statistical analysis, and marker identification strategies.
• To demonstrate the application of the analytical process in characterizing red and white wines from Burgundy.

Main Methods:

• Utilized Ultra-High Performance Liquid Chromatography coupled with Quadrupole Time-of-Flight Mass Spectrometry (UPLC-Q-ToF-MS) for non-targeted analysis.
• Enhanced data by aligning exact mass data from Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR-MS).
• Identified marker peaks using UPLC-Q-ToF-MS(2) and annotated them with metabolite databases.

Main Results:

• Developed a robust analytical workflow for detailed wine chemical profiling.
• Successfully described the chemical complexity of Pinot noir and Chardonnay wines.
• Differentiated wines based on geographic origins using the established analytical process.

Conclusions:

• The integrated UPLC-Q-ToF-MS approach, combined with FTICR-MS data and multivariate statistics, offers a powerful tool for wine metabolomics.
• This methodology provides a fine description of wine's chemical complexity, aiding in quality and origin studies.
• The study successfully exemplified the analytical process for diverse wine types and origins.