title: Studying the effect of storage conditions on the metabolite content of red wine using HILIC LC-MS based metabolomics.
abstract: The main aim of this work was to develop an untargeted normal phase LC-MS method, starting from a targeted method already validated for the analysis of 135 polar metabolites. Since the LC instrument and column were the same, most of the chromatographic conditions remained identical, while the adaptations focused on maintaining the ionic strength of the eluents constant. The sample preparation was simplified and the effectiveness of LC-MS for long batches was evaluated, in order to record the maximum number of metabolites with good chromatographic resolution and the best MS stability and accuracy. The method was applied to study the influence of storage conditions on wine composition. Slightly sub-optimum storage conditions had a major impact on the polar metabolite fingerprint of the red wines analysed and the markers revealed included phenolics, vitamins and metabolites indentified in wine for the first time (4-amino-heptanedioic acid and its ethyl ester).
authors.affiliation: Department of Food Quality and Nutrition, Research and Innovation Centre, Fondazione Edmund Mach (FEM), Via E. Mach 1, 38010 San Michele all'Adige, Italy. Electronic address: panagiotis.arapitsas@fmach.it.
authors.forename: Panagiotis
authors.initials: P
authors.lastname: Arapitsas
authors.affiliation: Department of Food Quality and Nutrition, Research and Innovation Centre, Fondazione Edmund Mach (FEM), Via E. Mach 1, 38010 San Michele all'Adige, Italy.
authors.forename: Anna Della
authors.initials: AD
authors.lastname: Corte
authors.affiliation: Department of Chemical Engineering, Aristotle University of Thessaloniki, 54124 Thessaloniki, Greece.
authors.forename: Helen
authors.initials: H
authors.lastname: Gika
authors.affiliation: Department of Food Quality and Nutrition, Research and Innovation Centre, Fondazione Edmund Mach (FEM), Via E. Mach 1, 38010 San Michele all'Adige, Italy.
authors.forename: Luca
authors.initials: L
authors.lastname: Narduzzi
authors.affiliation: Department of Food Quality and Nutrition, Research and Innovation Centre, Fondazione Edmund Mach (FEM), Via E. Mach 1, 38010 San Michele all'Adige, Italy.
authors.forename: Fulvio
authors.initials: F
authors.lastname: Mattivi
authors.affiliation: Department of Chemistry, Aristotle University of Thessaloniki, 54124 Thessaloniki, Greece.
authors.forename: Georgios
authors.initials: G
authors.lastname: Theodoridis
mesh_terms: D002853:Chromatography, Liquid; D057927:Hydrophobic and Hydrophilic Interactions; D013058:Mass Spectrometry; D055432:Metabolomics / Q000379:methods*; D014920:Wine / Q000032:analysis*
keywords: 4-Amino-heptanedioic acid (PubChem CID: 487243); HILIC, Vitis vinifera; Holistic, wine metabolomics; Malvidin 3-glucoside (PubChem CID: 443652); Metabolomics; Method development; Normal phase LC; Pantothenic acid (PubChem CID: 6613); Primary metabolites; QTOF MS; Vitisin A (PubChem CID: 10325504); Wine conservation