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Discrimination of French wine brandy origin by PTR-MS headspace analysis using ethanol ionization and sensory assessment

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Abstract

The headspace volatile organic compound (VOC) fingerprints (volatilome) of French wine brandies were investigated by proton transfer reaction time-of-flight mass spectrometry (PTR-ToF-MS). Protonated ethanol chemical ionization was used with dedicated experimental conditions that were previously validated for model wines. These included a reference vial containing a hydro-alcoholic solution with the same ethanol content (20% v/v) as the diluted sample spirits, which was used to establish steady-state ionization conditions. A low electric field strength to number density ratio E/N (85 Td) was used in the drift tube in order to limit the fragmentation of the protonated analytes. The obtained headspace fingerprints were used to investigate the origin of French brandies produced within a limited geographic production area. Brandies of two different vintages (one freshly distilled and one aged for 14 years in French oak barrels) were successfully classified according to their growth areas using unsupervised (principal component analysis, PCA) and supervised (partial least squares regression discriminant analysis, PLS-DA) multivariate analyses. The models obtained by PLS-DA allowed the identification of discriminant volatile compounds that were mainly characterised as key aroma compounds of wine brandies. The discrimination was supported by sensory evaluation conducted with free sorting tasks. The results showed that this ethanol ionization method was suitable for direct headspace analysis of brandies. They also demonstrated its ability to distinguish French brandies according to their growth areas, and this effect on brandy VOC composition was confirmed at a perceptive level.

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Material and data (except those found in ESM) are not available from the authors (confidential contract; PhD thesis of N.M.).

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Acknowledgements

The authors are grateful to Etienne Sémon (CSGA, ChemoSens Platform) for skillful assistance with the PTR-MS instrument. The authors thank the members of the internal sensory panel at Centre de Recherche Pernod Ricard. INRAE, Regional Council of Bourgogne Franche-Comté and the European Regional Development Fund (ERDF) are thanked for equipment funding.

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Funding

The research was funded by INRAE and Pernod Ricard (Confidential Research Collaboration contract). ANRT (National Agency for Research and Technology)-Pernod Ricard PhD grant to N.M. (CIFRE convention 2012/1072).

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Authors and Affiliations

  1. Centre des Sciences du Goût et de l’Alimentation (CSGA), AgroSup Dijon, CNRS, INRAE, Université Bourgogne Franche-Comté, 17, rue Sully, 21065, Dijon, France

    Nicolas Malfondet & Jean-Luc Le Quéré

  2. Centre de Recherche Pernod Ricard, 94046, Créteil, France

    Nicolas Malfondet & Pascal Brunerie

Authors
  1. Nicolas Malfondet
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  2. Pascal Brunerie
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  3. Jean-Luc Le Quéré
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Contributions

Conceptualization: J.-L. Le Quéré and N. Malfondet. Methodology and validation: J.-L. Le Quéré. Investigation and analyses: N. Malfondet. Data curation: N. Malfondet and J.-L. Le Quéré. Formal analysis: N. Malfondet and J.-L. Le Quéré. Writing—original draft preparation: N. Malfondet and J.-L. Le Quéré. Writing—review and editing: N. Malfondet, J.-L. Le Quéré and P. Brunerie. Supervision: J.-L. Le Quéré. Project administration: J.-L. Le Quéré and P. Brunerie. All the authors have read and agreed to the published version of the manuscript.

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Correspondence to Jean-Luc Le Quéré.

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Conflict of interest

Pernod Ricard partially funded the research, and P. Brunerie was a previous member of Pernod Ricard staff (now retired). However, the authors declare no conflict of interest and no competing financial interests. Moreover, the funders had no role in the design of the study; in the collection, analyses, or interpretation of data; in the writing of the manuscript, or in the decision to publish the results.

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Malfondet, N., Brunerie, P. & Le Quéré, JL. Discrimination of French wine brandy origin by PTR-MS headspace analysis using ethanol ionization and sensory assessment. Anal Bioanal Chem 413, 3349–3368 (2021). https://doi.org/10.1007/s00216-021-03275-x

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