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High precision mass measurements for wine metabolomics.
Front. Chem. 2:102 (2014)
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.
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Publication type
Article: Journal article
Document type
Scientific Article
Keywords
Fticr-ms ; Ms/ms ; Uplc-q-tof-ms ; Multivariate Data Analysis ; Non-targeted Metabolomics ; Wine
ISSN (print) / ISBN
2296-2646
e-ISSN
2296-2646
Journal
Frontiers in Chemistry
Quellenangaben
Volume: 2,
Article Number: 102
Publisher
Frontiers
Publishing Place
Lausanne
Non-patent literature
Publications
Reviewing status
Peer reviewed
Institute(s)
Research Unit Analytical BioGeoChemistry (BGC)