6533b82dfe1ef96bd1290ad6
RESEARCH PRODUCT
High precision mass measurements for wine metabolomics
Chloé Eroullier-gallChloé Eroullier-gallMichael EwittingRégis D. GougeonPhilippe Eschmitt-kopplinPhilippe Eschmitt-kopplinsubject
Winemultivariate data analysisFTICR-MSUPLC-Q-ToF-MSGeneral Chemistrycomputer.software_genreMass spectrometryMasslcsh:ChemistryMetabolomicslcsh:QD1-999non-targeted metabolomicsNon targeted metabolomicsStatistical analysesMS/MSFticr-ms ; Ms/ms ; Uplc-q-tof-ms ; Multivariate Data Analysis ; Non-targeted Metabolomics ; WineWine chemistryData miningOriginal Research ArticleMultivariate statisticalwineBiological systemcomputerMathematicsNutritiondescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2014-11-01 | Frontiers in Chemistry |