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Food Res Int

Title:		A novel approach to discriminate the volatilome of Vitis vinifera berries by selected ion flow tube mass Spectrometry analysis and chemometrics
Author(s):		Baerenzung Dit Baron T; Yobregat O; Jacques A; Simon V; Geffroy O;
Address:		"PPGV - Physiologie, Pathologie et Genetique Vegetale, Toulouse INP-Purpan, University of Toulouse, 31076 Toulouse, France; LCA - Laboratoire de Chimie Agro-Industrielle, UMR 1010 INRAe/Toulouse INP-ENSIACET, University of Toulouse, 31030 Toulouse, France. IFV - Institut Francais de la Vigne et du Vin pole Sud-Ouest, 81310 Peyrole, France. PPGV - Physiologie, Pathologie et Genetique Vegetale, Toulouse INP-Purpan, University of Toulouse, 31076 Toulouse, France. LCA - Laboratoire de Chimie Agro-Industrielle, UMR 1010 INRAe/Toulouse INP-ENSIACET, University of Toulouse, 31030 Toulouse, France. PPGV - Physiologie, Pathologie et Genetique Vegetale, Toulouse INP-Purpan, University of Toulouse, 31076 Toulouse, France. Electronic address: olivier.geffroy@purpan.fr"
Journal Title:		Food Res Int
Year:		2022
Volume:		20220528
Issue:
Page Number:		111434 -
DOI:		10.1016/j.foodres.2022.111434
ISSN/ISBN:		1873-7145 (Electronic) 0963-9969 (Linking)
Abstract:		"This study investigated a quick way to discriminate grape varieties based on their composition in volatile compounds through a SIFT-MS scan coupled with simple chemometrics approaches such as analysis of variance (ANOVA), principal component analysis (PCA) and hierarchical ascendant classification (HAC). The 23 studied grape varieties were distinguishable using O(2)(+), H(3)O(+) and NO(+) as reagent ions, and the combination of these three ions. For its ability to ionize most compounds, to efficiently fragment them to generate ions with distinct m/z ratio, and to enhance the differentiation of compounds of similar masses, O(2)(+) reagent ion should be preferentially considered. The use of one single ion rather than three enables to limit the time of analysis and the number of variables to be treated. The technique allowed the distinction of high and low aroma compounds producers as confirmed by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry (HS-SPME/GC-MS) analyses. SIFT-MS is a quick and interesting tool with potential application in various fields of viticulture such as phenotyping of grape varieties or non-targeted studies on the impact of environmental factors or viticultural practices on grape aroma composition"
Keywords:		Chemometrics Fruit/chemistry Ions Mass Spectrometry/methods *Vitis/chemistry *Volatile Organic Compounds/analysis Gc-ms Grapevine Phenotyping Sift-ms Statistical pipeline Volatilome;
Notes:		"MedlineBaerenzung Dit Baron, Thomas Yobregat, Olivier Jacques, Alban Simon, Valerie Geffroy, Olivier eng Research Support, Non-U.S. Gov't Canada 2022/06/29 Food Res Int. 2022 Jul; 157:111434. doi: 10.1016/j.foodres.2022.111434. Epub 2022 May 28"