Metabolomics

Dataset Information

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Characterization of Cabernet Sauvignon Wines by Untargeted HS-SPME GC-QTOF-MS


ABSTRACT: Untargeted metabolomics approaches are emerging as powerful tools for the quality evaluation and authenticity of food and beverages and have been applied to wine science. However, most fail to report the method validation, quality assurance and/or quality control applied, as well as the assessment through the metabolomics-methodology pipeline. Knowledge of Mexican viticulture, enology and wine science remains scarce, thus untargeted metabolomics approaches arise as a suitable tool. The aim of this study is to validate an untargeted HS-SPME-GC-qTOF/MS method, with attention to data processing to characterize Cabernet Sauvignon wines from two vineyards and two vintages. Validation parameters for targeted methods are applied in conjunction with the development of a recursive analysis of data. The combination of some parameters for targeted studies (repeatability and reproducibility < 20% RSD; linearity > 0.99; retention-time reproducibility < 0.5% RSD; match-identification factor < 2.0% RSD) with recursive analysis of data (101 entities detected) warrants that both chromatographic and spectrometry-processing data were under control and provided high-quality results, which in turn differentiate wine samples according to site and vintage. It also shows potential biomarkers that can be identified. This is a step forward in the pursuit of Mexican wine characterization that could be used as an authentication tool.

INSTRUMENT(S): 7200 qTOF/MS Agilent

SUBMITTER: Alejandra Chavez-Marquez 

PROVIDER: MTBLS1391 | MetaboLights | 2022-04-29

REPOSITORIES: MetaboLights

Dataset's files

Source:
Action DRS
MTBLS1391 Other
FILES Other
a_MTBLS1391_gc_metabolite_profiling_mass_spectrometry-1.txt Txt
a_MTBLS1391_gc_metabolite_profiling_mass_spectrometry.txt Txt
i_Investigation.txt Txt
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Publications

Characterization of Cabernet Sauvignon Wines by Untargeted HS-SPME GC-QTOF-MS.

Chávez-Márquez Alejandra A   Gardea Alfonso A AA   González-Rios Humberto H   Vazquez-Moreno Luz L  

Molecules (Basel, Switzerland) 20220307 5


Untargeted metabolomics approaches are emerging as powerful tools for the quality evaluation and authenticity of food and beverages and have been applied to wine science. However, most fail to report the method validation, quality assurance and/or quality control applied, as well as the assessment through the metabolomics-methodology pipeline. Knowledge of Mexican viticulture, enology and wine science remains scarce, thus untargeted metabolomics approaches arise as a suitable tool. The aim of th  ...[more]

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