{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,14]],"date-time":"2026-02-14T13:33:44Z","timestamp":1771076024378,"version":"3.50.1"},"reference-count":68,"publisher":"MDPI AG","issue":"11","license":[{"start":{"date-parts":[[2021,11,3]],"date-time":"2021-11-03T00:00:00Z","timestamp":1635897600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100000921","name":"European Cooperation in Science and Technology","doi-asserted-by":"publisher","award":["CA 17111 INTEGRAPE"],"award-info":[{"award-number":["CA 17111 INTEGRAPE"]}],"id":[{"id":"10.13039\/501100000921","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Metabolites"],"abstract":"<jats:p>In the era of big and omics data, good organization, management, and description of experimental data are crucial for achieving high-quality datasets. This, in turn, is essential for the export of robust results, to publish reliable papers, make data more easily available, and unlock the huge potential of data reuse. Lately, more and more journals now require authors to share data and metadata according to the FAIR (Findable, Accessible, Interoperable, Reusable) principles. This work aims to provide a step-by-step guideline for the FAIR data and metadata management specific to grapevine and wine science. In detail, the guidelines include recommendations for the organization of data and metadata regarding (i) meaningful information on experimental design and phenotyping, (ii) sample collection, (iii) sample preparation, (iv) chemotype analysis, (v) data analysis (vi) metabolite annotation, and (vii) basic ontologies. We hope that these guidelines will be helpful for the grapevine and wine metabolomics community and that it will benefit from the true potential of data usage in creating new knowledge being revealed.<\/jats:p>","DOI":"10.3390\/metabo11110757","type":"journal-article","created":{"date-parts":[[2021,11,3]],"date-time":"2021-11-03T21:57:49Z","timestamp":1635976669000},"page":"757","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":22,"title":["Grapevine and Wine Metabolomics-Based Guidelines for FAIR Data and Metadata Management"],"prefix":"10.3390","volume":"11","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2665-223X","authenticated-orcid":false,"given":"Stefania","family":"Savoi","sequence":"first","affiliation":[{"name":"UMR AGAP, Montpellier University, CIRAD, INRAE, Institut Agro-Montpellier SupAgro, 34060 Montpellier, France"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9378-9287","authenticated-orcid":false,"given":"Panagiotis","family":"Arapitsas","sequence":"additional","affiliation":[{"name":"Department of Food Quality and Nutrition, Edmund Mach Foundation, Research and Innovation Centre, Via Edmund Mach 1, 38010 San Michele all\u2019Adige, Italy"}]},{"given":"\u00c9ric","family":"Duch\u00eane","sequence":"additional","affiliation":[{"name":"SVQV, University of Strasbourg, INRAE, F-68000 Colmar, France"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5576-9373","authenticated-orcid":false,"given":"Maria","family":"Nikolantonaki","sequence":"additional","affiliation":[{"name":"UMR PAM Universit\u00e9 de Bourgogne\/Agro Sup Dijon, Institut Universitaire de la Vigne et du Vin, Jules Guyot, F-21000 Dijon, France"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3348-0843","authenticated-orcid":false,"given":"Ignacio","family":"Onta\u00f1\u00f3n","sequence":"additional","affiliation":[{"name":"Laboratorio de An\u00e1lisis Del Aroma y Enolog\u00eda, Departamento de Qu\u00edmica Anal\u00edtica, Facultad de Ciencias, Instituto Agroalimentario de Arag\u00f3n (IA2), Universidad de Zaragoza, Calle de Pedro Cerbuna 12, 50009 Zaragoza, Spain"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0398-6947","authenticated-orcid":false,"given":"Silvia","family":"Carlin","sequence":"additional","affiliation":[{"name":"Department of Food Quality and Nutrition, Edmund Mach Foundation, Research and Innovation Centre, Via Edmund Mach 1, 38010 San Michele all\u2019Adige, Italy"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0790-6118","authenticated-orcid":false,"given":"Florian","family":"Schwander","sequence":"additional","affiliation":[{"name":"Julius K\u00fchn-Institute, Institute for Grapevine Breeding Geilweilerhof, D-76833 Siebeldingen, Germany"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5371-5523","authenticated-orcid":false,"given":"R\u00e9gis D.","family":"Gougeon","sequence":"additional","affiliation":[{"name":"UMR PAM Universit\u00e9 de Bourgogne\/Agro Sup Dijon, Institut Universitaire de la Vigne et du Vin, Jules Guyot, F-21000 Dijon, France"}]},{"given":"Ant\u00f3nio C\u00e9sar Silva","family":"Ferreira","sequence":"additional","affiliation":[{"name":"CBQF\u2014Centro de Biotecnologia e Qu\u00edmica Fina.\u2014Laborat\u00f3rio Associado, Escola Superior de Biotecnologia, Universidade Cat\u00f3lica Portuguesa, Rua de Diogo Botelho, 1327, 4169-005 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2015-108X","authenticated-orcid":false,"given":"Georgios","family":"Theodoridis","sequence":"additional","affiliation":[{"name":"Laboratory of Analytical Chemistry, Department of Chemistry, Aristotle University of Thessaloniki, 54124 Thessaloniki, Greece"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1569-2495","authenticated-orcid":false,"given":"Reinhard","family":"T\u00f6pfer","sequence":"additional","affiliation":[{"name":"Julius K\u00fchn-Institute, Institute for Grapevine Breeding Geilweilerhof, D-76833 Siebeldingen, Germany"}]},{"given":"Urska","family":"Vrhovsek","sequence":"additional","affiliation":[{"name":"Department of Food Quality and Nutrition, Edmund Mach Foundation, Research and Innovation Centre, Via Edmund Mach 1, 38010 San Michele all\u2019Adige, Italy"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3412-9086","authenticated-orcid":false,"given":"Anne-Francoise","family":"Adam-Blondon","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Paris-Saclay, INRAE, URGI, 78026 Versailles, France"}]},{"given":"Mario","family":"Pezzotti","sequence":"additional","affiliation":[{"name":"Department of Biotechnology, University of Verona, 37134 Verona, Italy"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4935-5876","authenticated-orcid":false,"given":"Fulvio","family":"Mattivi","sequence":"additional","affiliation":[{"name":"Department of Food Quality and Nutrition, Edmund Mach Foundation, Research and Innovation Centre, Via Edmund Mach 1, 38010 San Michele all\u2019Adige, Italy"},{"name":"Department of Cellular, Computational and Integrative Biology, CIBIO, University of Trento, 38123 Trento, Italy"}]}],"member":"1968","published-online":{"date-parts":[[2021,11,3]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"112","DOI":"10.1038\/s41438-019-0195-6","article-title":"Genome Sequences of Horticultural Plants: Past, Present, and Future","volume":"6","author":"Chen","year":"2019","journal-title":"Hortic. Res."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"57","DOI":"10.1038\/nrg2484","article-title":"RNA-Seq: A Revolutionary Tool for Transcriptomics","volume":"10","author":"Wang","year":"2009","journal-title":"Nat. Rev. Genet."},{"key":"ref_3","doi-asserted-by":"crossref","unstructured":"Cantu, D., and Walker, M.A. (2019). Grape transcriptomics and viticulture. The Grape Genome, Compendium of Plant Genomes; Springer International Publishing.","DOI":"10.1007\/978-3-030-18601-2"},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"1157","DOI":"10.1038\/81137","article-title":"Metabolite Profiling for Plant Functional Genomics","volume":"18","author":"Fiehn","year":"2000","journal-title":"Nat. Biotechnol."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1023\/A:1013713905833","article-title":"Metabolomics\u2014The Link between Genotypes and Phenotypes","volume":"48","author":"Fiehn","year":"2002","journal-title":"Plant Mol. Biol."},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"933","DOI":"10.1111\/tpj.13950","article-title":"Metabolomics 20 Years on: What Have We Learned and What Hurdles Remain?","volume":"94","author":"Alseekh","year":"2018","journal-title":"Plant J."},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"778","DOI":"10.1038\/nprot.2007.95","article-title":"Untargeted Large-Scale Plant Metabolomics Using Liquid Chromatography Coupled to Mass Spectrometry","volume":"2","author":"Moco","year":"2007","journal-title":"Nat. Protoc."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"346","DOI":"10.1016\/j.aca.2005.11.007","article-title":"1H NMR Metabolite Fingerprints of Grape Berry: Comparison of Vintage and Soil Effects in Bordeaux Grapevine Growing Areas","volume":"563","author":"Pereira","year":"2006","journal-title":"Anal. Chim. Acta"},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"125257","DOI":"10.1016\/j.foodchem.2019.125257","article-title":"1H NMR Metabolomics Applied to Bordeaux Red Wines","volume":"301","author":"Gougeon","year":"2019","journal-title":"Food Chem."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"132","DOI":"10.1016\/j.jchromb.2014.01.009","article-title":"Quantitative Metabolic Profiling of Grape, Apple and Raspberry Volatile Compounds (VOCs) Using a GC\/MS\/MS Method","volume":"966","author":"Vrhovsek","year":"2014","journal-title":"J. Chromatogr. B"},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"8831","DOI":"10.1021\/jf2051569","article-title":"A Versatile Targeted Metabolomics Method for the Rapid Quantification of Multiple Classes of Phenolics in Fruits and Beverages","volume":"60","author":"Vrhovsek","year":"2012","journal-title":"J. Agric. Food Chem."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"4","DOI":"10.1016\/j.euprot.2016.03.002","article-title":"Metabolite Extraction for High-Throughput FTICR-MS-Based Metabolomics of Grapevine Leaves","volume":"12","author":"Maia","year":"2016","journal-title":"EuPA Open Proteom."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"129566","DOI":"10.1016\/j.foodchem.2021.129566","article-title":"Exploring the Chemical Space of White Wine Antioxidant Capacity: A Combined DPPH, EPR and FT-ICR-MS Study","volume":"355","author":"Romanet","year":"2021","journal-title":"Food Chem."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"343","DOI":"10.1111\/ppl.13198","article-title":"An Apoplastic Fluid Extraction Method for the Characterization of Grapevine Leaves Proteome and Metabolome from a Single Sample","volume":"171","author":"Figueiredo","year":"2021","journal-title":"Physiol. Plant"},{"key":"ref_15","doi-asserted-by":"crossref","unstructured":"Savoi, S., Wong, D.C.J., Arapitsas, P., Miculan, M., Bucchetti, B., Peterlunger, E., Fait, A., Mattivi, F., and Castellarin, S.D. (2016). Transcriptome and Metabolite Profiling Reveals That Prolonged Drought Modulates the Phenylpropanoid and Terpenoid Pathway in White Grapes (Vitis vinifera L.). BMC Plant Biol., 16.","DOI":"10.1186\/s12870-016-0760-1"},{"key":"ref_16","doi-asserted-by":"crossref","unstructured":"Savoi, S., Wong, D.C.J., Degu, A., Herrera, J.C., Bucchetti, B., Peterlunger, E., Fait, A., Mattivi, F., and Castellarin, S.D. (2017). Multi-Omics and Integrated Network Analyses Reveal New Insights into the Systems Relationships between Metabolites, Structural Genes, and Transcriptional Regulators in Developing Grape Berries (Vitis vinifera L.) Exposed to Water Deficit. Front. Plant Sci., 8.","DOI":"10.3389\/fpls.2017.01124"},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"16","DOI":"10.1007\/s11306-017-1309-5","article-title":"A Lost Opportunity for Science: Journals Promote Data Sharing in Metabolomics but Do Not Enforce It","volume":"14","author":"Spicer","year":"2017","journal-title":"Metabolomics"},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"211","DOI":"10.1007\/s11306-007-0082-2","article-title":"Proposed Minimum Reporting Standards for Chemical Analysis","volume":"3","author":"Sumner","year":"2007","journal-title":"Metabolomics"},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"1800384","DOI":"10.1002\/mnfr.201800384","article-title":"Nutrimetabolomics: An Integrative Action for Metabolomic Analyses in Human Nutritional Studies","volume":"63","author":"Ulaszewska","year":"2019","journal-title":"Mol. Nutr. Food Res."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"747","DOI":"10.1038\/s41592-021-01197-1","article-title":"Mass Spectrometry-Based Metabolomics: A Guide for Annotation, Quantification and Best Reporting Practices","volume":"18","author":"Alseekh","year":"2021","journal-title":"Nat. Methods"},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"D781","DOI":"10.1093\/nar\/gks1004","article-title":"MetaboLights\u2014An Open-Access General-Purpose Repository for Metabolomics Studies and Associated Meta-Data","volume":"41","author":"Haug","year":"2013","journal-title":"Nucleic Acids Res."},{"key":"ref_22","first-page":"D440","article-title":"MetaboLights: A Resource Evolving in Response to the Needs of Its Scientific Community","volume":"48","author":"Haug","year":"2020","journal-title":"Nucleic Acids Res."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"2506","DOI":"10.1093\/bioinformatics\/btab481","article-title":"ELIXIR: Providing a Sustainable Infrastructure for Life Science Data at European Scale","volume":"37","author":"Harrow","year":"2021","journal-title":"Bioinformatics"},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"D463","DOI":"10.1093\/nar\/gkv1042","article-title":"Metabolomics Workbench: An International Repository for Metabolomics Data and Metadata, Metabolite Standards, Protocols, Tutorials and Training, and Analysis Tools","volume":"44","author":"Sud","year":"2016","journal-title":"Nucleic Acids Res."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"160018","DOI":"10.1038\/sdata.2016.18","article-title":"The FAIR Guiding Principles for Scientific Data Management and Stewardship","volume":"3","author":"Wilkinson","year":"2016","journal-title":"Sci. Data"},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"260","DOI":"10.1111\/nph.16544","article-title":"Enabling Reusability of Plant Phenomic Datasets with MIAPPE 1.1","volume":"227","author":"Papoutsoglou","year":"2020","journal-title":"New Phytol."},{"key":"ref_27","first-page":"4","article-title":"Les Stades Rep\u00e8res Dans Le D\u00e9veloppement Annuel de La Vigne et Leur Utilisation Pratique","volume":"8","author":"Baggiolini","year":"1952","journal-title":"Rev. Romande D\u2019agriculture Et D\u2019arboriculture"},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"104","DOI":"10.1111\/j.1755-0238.1995.tb00086.x","article-title":"Growth Stages of the Grapevine: Adoption of a System for Identifying Grapevine Growth Stages","volume":"1","author":"Coombe","year":"1995","journal-title":"Aust. J. Grape Wine Res."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"100","DOI":"10.1111\/j.1755-0238.1995.tb00085.x","article-title":"Growth Stages of the Grapevine: Phenological Growth Stages of the Grapevine (Vitis vinifera L. Ssp. Vinifera)\u2014Codes and Descriptions According to the Extended BBCH Scale\u2020","volume":"1","author":"Lorenz","year":"1995","journal-title":"Aust. J. Grape Wine Res."},{"key":"ref_30","doi-asserted-by":"crossref","unstructured":"Destrac-Irvine, A., Barbeau, G., de Resseguier, L., Dufourcq, T., Dumas, V., de Cortazar-Atauri, I.G., Ojeda, H., Saurin, N., van Leeuwen, C., and Duch\u00eane, \u00c9. (2019). Measuring the Phenology to More Effectively Manage the Vineyard. IVES Tech. Rev. Vine Wine.","DOI":"10.20870\/IVES-TR.2019.2586"},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"2097","DOI":"10.1021\/es5002105","article-title":"Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence","volume":"48","author":"Schymanski","year":"2014","journal-title":"Environ. Sci. Technol."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"1297","DOI":"10.3389\/fpls.2021.693887","article-title":"Mono-Locus and Pyramided Resistant Grapevine Cultivars Reveal Early Putative Biomarkers Upon Artificial Inoculation With Plasmopara Viticola","volume":"12","author":"Ciubotaru","year":"2021","journal-title":"Front. Plant Sci."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"18","DOI":"10.1007\/s11306-020-1641-z","article-title":"LC\u2013MS Untargeted Approach Showed That Methyl Jasmonate Application on Vitis labrusca L. Grapes Increases Phenolics at Subtropical Brazilian Regions","volume":"16","author":"Moro","year":"2020","journal-title":"Metabolomics"},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"5","DOI":"10.1038\/s41597-019-0321-1","article-title":"The Accumulation Profiles of Terpene Metabolites in Three Muscat Table Grape Cultivars through HS-SPME-GCMS","volume":"7","author":"Sun","year":"2020","journal-title":"Sci. Data"},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"457","DOI":"10.3389\/fmicb.2017.00457","article-title":"Core Microbiota and Metabolome of Vitis vinifera L. Cv. Corvina Grapes and Musts","volume":"8","author":"Stefanini","year":"2017","journal-title":"Front. Microbiol."},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"150","DOI":"10.1007\/s11306-016-1095-5","article-title":"Metabolic Changes of Genetically Engineered Grapes (Vitis vinifera L.) Studied by 1H-NMR, Metabolite Heatmaps and IPLS","volume":"12","author":"Picone","year":"2016","journal-title":"Metabolomics"},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"6823","DOI":"10.1021\/acs.jafc.5b01999","article-title":"Comparing Wild American Grapes with Vitis Vinifera: A Metabolomics Study of Grape Composition","volume":"63","author":"Narduzzi","year":"2015","journal-title":"J. Agric. Food Chem."},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"5075","DOI":"10.1007\/s00216-012-6555-9","article-title":"High-Throughput Carotenoid Profiling Using Multivariate Curve Resolution","volume":"405","author":"Wehrens","year":"2013","journal-title":"Anal. Bioanal. Chem."},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"r54","DOI":"10.1186\/gb-2013-14-6-r54","article-title":"The Plasticity of the Grapevine Berry Transcriptome","volume":"14","author":"Tornielli","year":"2013","journal-title":"Genome Biol."},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"127852","DOI":"10.1016\/j.foodchem.2020.127852","article-title":"1H NMR Chemometric Models for Classification of Czech Wine Type and Variety","volume":"339","author":"Mascellani","year":"2021","journal-title":"Food Chem."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"13353","DOI":"10.1021\/acs.jafc.0c00879","article-title":"Use of Untargeted Liquid Chromatography\u2014Mass Spectrometry Metabolome To Discriminate Italian Monovarietal Red Wines, Produced in Their Different Terroirs","volume":"68","author":"Arapitsas","year":"2020","journal-title":"J. Agric. Food Chem."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"569","DOI":"10.20870\/oeno-one.2020.54.3.3093","article-title":"From Grape Berries to Wines: Drought Impacts on Key Secondary Metabolites","volume":"54","author":"Savoi","year":"2020","journal-title":"OENO One"},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"53","DOI":"10.1007\/s11306-016-0962-4","article-title":"Untangling the Wine Metabolome by Combining Untargeted SPME\u2013GCxGC-TOF-MS and Sensory Analysis to Profile Sauvignon Blanc Co-Fermented with Seven Different Yeasts","volume":"12","author":"Stanstrup","year":"2016","journal-title":"Metabolomics"},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"72","DOI":"10.3389\/fbioe.2014.00072","article-title":"MetaDB a Data Processing Workflow in Untargeted MS-Based Metabolomics Experiments","volume":"2","author":"Franceschi","year":"2014","journal-title":"Front. Bioeng. Biotechnol."},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"816","DOI":"10.1007\/s11306-014-0638-x","article-title":"The Influence of Storage on the \u201cChemical Age\u201d of Red Wines","volume":"10","author":"Arapitsas","year":"2014","journal-title":"Metabolomics"},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"6899","DOI":"10.1021\/jf9019322","article-title":"Comparison of Gas Chromatography-Coupled Time-of-Flight Mass Spectrometry and 1H Nuclear Magnetic Resonance Spectroscopy Metabolite Identification in White Wines from a Sensory Study Investigating Wine Body","volume":"57","author":"Skogerson","year":"2009","journal-title":"J. Agric. Food Chem."},{"key":"ref_47","doi-asserted-by":"crossref","unstructured":"Ciubotaru, R.M., Franceschi, P., Zulini, L., Stefanini, M., \u0160krab, D., Rossarolla, M.D., Robatscher, P., Oberhuber, M., Vrhovsek, U., and Chitarrini, G. (2021, October 30). Mono-Locus and Pyramided Resistant Grapevine Cultivars Reveal Early Putative Biomarkers upon Artificial Inoculation with Plasmopara Viticola. 2021. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS2876.","DOI":"10.3389\/fpls.2021.693887"},{"key":"ref_48","doi-asserted-by":"crossref","unstructured":"Moro, L., Da Ros, A., da Mota, R.V., Purgatto, E., Mattivi, F., and Arapitsas, P. (2021, October 30). LC-MS Untargeted Approach Showed that Methyl Jasmonate Application on Vitis labrusca L. Grapes Increases Phenolics at Subtropical Brazilian Regions. 2020. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS784.","DOI":"10.1007\/s11306-020-1641-z"},{"key":"ref_49","doi-asserted-by":"crossref","unstructured":"Sun, L., Zhu, B., Zhang, X., Wang, H., Yan, A., Zhang, G., Wang, X., and Xu, H. (2021, October 30). The Accumulation Profiles of Terpene Metabolites in Three Muscat Table Grape Cultivars through HS-SPME-GCMS. 2019. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS968.","DOI":"10.1038\/s41597-019-0321-1"},{"key":"ref_50","unstructured":"Savoi, S., Wong, D.C.J., Degu, A., Herrera, J.C., Bucchetti, B., Peterlunger, E., Fait, A., Mattivi, F., and Castellarin, S.D. (2021, October 30). Multi-Omics and Integrated Network Analyses Reveal New Insights into the Systems Relationships between Metabolites, Structural Genes, and Transcriptional Regulators in Developing Grape Berries (Vitis vinifera L.) Exposed to Water Deficit (Phenolics; UPLC-MS\/MS assay). 2019. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS898."},{"key":"ref_51","unstructured":"Savoi, S., Wong, D.C.J., Degu, A., Herrera, J.C., Bucchetti, B., Peterlunger, E., Fait, A., Mattivi, F., and Castellarin, S.D. (2021, October 30). Multi-Omics and Integrated Network Analyses Reveal New Insights into the Systems Relationships between Metabolites, Structural Genes, and Transcriptional Regulators in Developing Grape Berries (Vitis vinifera L.) Exposed to Water Deficit (Volatile organic compounds; SPME-GC-MS assay). 2021. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS982."},{"key":"ref_52","unstructured":"Savoi, S., Wong, D.C.J., Degu, A., Herrera, J.C., Bucchetti, B., Peterlunger, E., Fait, A., Mattivi, F., and Castellarin, S.D. (2021, October 30). Multi-Omics and Integrated Network Analyses Reveal New Insights into the Systems Relationships between Metabolites, Structural Genes, and Transcriptional Regulators in Developing Grape Berries (Vitis vinifera L.) Exposed to Water Deficit (Carotenoids; UPLC-DAD assay). 2021. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS984."},{"key":"ref_53","doi-asserted-by":"crossref","unstructured":"Stefanini, I., Carlin, S., Tocci, N., Albanese, D., Donati, C., Franceschi, P., Paris, M., Zenato, A., Tempesta, S., and Bronzato, A. (2021, October 30). Core Microbiota and Metabolome of Vitis vinifera L. Cv. Corvina Grapes and Musts. 2017. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS392.","DOI":"10.3389\/fmicb.2017.00457"},{"key":"ref_54","unstructured":"Savoi, S., Wong, D.C.J., Arapitsas, P., Miculan, M., Bucchetti, B., Peterlunger, E., Fait, A., Mattivi, F., and Castellarin, S.D. (2021, October 30). Transcriptome and Metabolite Profiling Reveals that Prolonged Drought Modulates the Phenylpropanoid and Terpenoid Pathway in White Grapes (Vitis vinifera L.) (Phenolics; UPLC-MS\/MS Assay). 2019. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS897."},{"key":"ref_55","unstructured":"Savoi, S., Wong, D.C.J., Arapitsas, P., Miculan, M., Bucchetti, B., Peterlunger, E., Fait, A., Mattivi, F., and Castellarin, S.D. (2021, October 30). Transcriptome and Metabolite Profiling Reveals that Prolonged Drought Modulates the Phenylpropanoid and Terpenoid Pathway in White Grapes (Vitis vinifera L.) (Volatile Organic Compounds; SPME-GC-MS Assay). 2021. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS892."},{"key":"ref_56","unstructured":"Savoi, S., Wong, D.C.J., Arapitsas, P., Miculan, M., Bucchetti, B., Peterlunger, E., Fait, A., Mattivi, F., and Castellarin, S.D. (2021, October 30). Transcriptome and Metabolite Profiling Reveals that Prolonged Drought Modulates the Phenylpropanoid and Terpenoid Pathway in White Grapes (Vitis vinifera L.) (Carotenoids; UPLC-DAD Assay). 2021. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS889."},{"key":"ref_57","doi-asserted-by":"crossref","unstructured":"Picone, G., Savorani, F., Trimigno, A., Mezzetti, B., Capozzi, F., and Engelsen, S.B. (2021, October 30). Metabolic Changes of Genetically Engineered Grapes (Vitis vinifera L.) Studied by 1H-NMR, Metabolite Heatmaps and IPLS. 2016. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS346.","DOI":"10.1007\/s11306-016-1095-5"},{"key":"ref_58","unstructured":"Narduzzi, L., Stanstrup, J., and Mattivi, F. (2021, October 30). The Measurement of Spatial Distribution of Grape Metabolites in Berry Tissues Using LC-MS. 2015. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS209."},{"key":"ref_59","unstructured":"Wehrens, R., Carvalho, E., Masuero, D., de Juan, A., and Martens, S. (2021, October 30). High-Throughput Carotenoid Profiling Using Multivariate Curve Resolution (Stability of Isoprenoids in Grape Extract). 2014. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS85."},{"key":"ref_60","doi-asserted-by":"crossref","unstructured":"Dal Santo, S., Tornielli, G.B., Zenoni, S., Fasoli, M., Farina, L., Anesi, A., Guzzo, F., Delledonne, M., and Pezzotti, M. (2021, October 30). The Plasticity of the Grapevine Berry Transcriptome. 2013. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS39.","DOI":"10.1186\/gb-2013-14-6-r54"},{"key":"ref_61","doi-asserted-by":"crossref","unstructured":"Mascellani, A., Hoca, G., Babisz, M., Krska, P., Kloucek, P., and Havlik, J. (2021, October 30). 1H NMR Chemometric Models for Classification of Czech Wine Type and Variety. 2020. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS1677.","DOI":"10.1016\/j.foodchem.2020.127852"},{"key":"ref_62","doi-asserted-by":"crossref","unstructured":"Arapitsas, P., Ugliano, M., Marangon, M., Piombino, P., Rolle, L., Gerbi, V., Versari, A., and Mattivi, F. (2021, October 30). Use of Untargeted Liquid Chromatography\u2013Mass Spectrometry Metabolome To Discriminate Italian Monovarietal Red Wines, Produced in Their Different Terroirs. 2020. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS1443.","DOI":"10.1021\/acs.jafc.0c00879"},{"key":"ref_63","unstructured":"Savoi, S., Herrera, J.C., Carlin, S., Lotti, C., Bucchetti, B., Peterlunger, E., Castellarin, S.D., and Mattivi, F. (2021, October 30). From Grape Berries to Wines: Drought Impacts on Key Secondary Metabolites. 2021. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS2330."},{"key":"ref_64","doi-asserted-by":"crossref","unstructured":"Beckner Whitener, M.E., Stanstrup, J., Panzeri, V., Carlin, S., Divol, B., Du Toit, M., and Vrhovsek, U. (2021, October 30). Untangling the Wine Metabolome by Combining Untargeted SPME\u2013GCxGC-TOF-MS and Sensory Analysis to Profile Sauvignon Blanc Co-Fermented with Seven Different Yeasts. 2015. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS212.","DOI":"10.1007\/s11306-016-0962-4"},{"key":"ref_65","doi-asserted-by":"crossref","unstructured":"Franceschi, P., Mylonas, R., Shahaf, N., Scholz, M., Arapitsas, P., Masuero, D., Weingart, G., Carlin, S., Vrhovsek, U., and Mattivi, F. (2021, October 30). MetaDB a Data Processing Workflow in Untargeted MS-Based Metabolomics Experiments. 2014. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS137.","DOI":"10.3389\/fbioe.2014.00072"},{"key":"ref_66","unstructured":"Arapitsas, P., Speri, G., Angeli, A., Perenzoni, D., and Mattivi, F. (2021, October 30). The Influence of Storage on the \u201cChemical Age\u201d of Red Wines. 2014. MetaboLights. Available online: https:\/\/www.ebi.ac.uk\/metabolights\/MTBLS55."},{"key":"ref_67","unstructured":"Skogerson, K., Runnebaum, R., Wohlgemuth, G., de Ropp, J., Heymann, H., and Fiehn, O. (2021, October 30). White Wine Study. 2013. MetaboLights. Available online: https:\/\/www.metabolomicsworkbench.org\/data\/DRCCMetadata.php?Mode=Project&ProjectID=PR000005."},{"key":"ref_68","doi-asserted-by":"crossref","first-page":"e01822","DOI":"10.1002\/eap.1822","article-title":"Open Science, Reproducibility, and Transparency in Ecology","volume":"29","author":"Powers","year":"2019","journal-title":"Ecol. Appl."}],"container-title":["Metabolites"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2218-1989\/11\/11\/757\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,11]],"date-time":"2025-10-11T07:25:19Z","timestamp":1760167519000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2218-1989\/11\/11\/757"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,11,3]]},"references-count":68,"journal-issue":{"issue":"11","published-online":{"date-parts":[[2021,11]]}},"alternative-id":["metabo11110757"],"URL":"https:\/\/doi.org\/10.3390\/metabo11110757","relation":{},"ISSN":["2218-1989"],"issn-type":[{"value":"2218-1989","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,11,3]]}}}