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MAW: the reproducible Metabolome Annotation Workflow for untargeted tandem mass spectrometry.

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第一作者： Mahnoor,Zulfiqar

第一单位： Institute for Inorganic and Analytical Chemistry, Friedrich Schiller University, 07743, Jena, Germany. mahnoor.zulfiqar@uni-jena.de.

作者： Mahnoor,Zulfiqar ^[1] ; Luiz,Gadelha ^[2] ; Christoph,Steinbeck ^[3] ; Maria,Sorokina ^[4] ; Kristian,Peters ^[5]

作者单位： Institute for Inorganic and Analytical Chemistry, Friedrich Schiller University, 07743, Jena, Germany. mahnoor.zulfiqar@uni-jena.de. ^[1] Institute for Inorganic and Analytical Chemistry, Friedrich Schiller University, 07743, Jena, Germany. ^[2] Institute for Inorganic and Analytical Chemistry, Friedrich Schiller University, 07743, Jena, Germany. christoph.steinbeck@uni-jena.de. ^[3] Institute for Inorganic and Analytical Chemistry, Friedrich Schiller University, 07743, Jena, Germany.;Data Science and Artificial Intelligence, Research and Development, Bayer Pharmaceuticals, 13353, Berlin, Germany. ^[4] iDiv - German Centre for Integrative Biodiversity Research, Halle-Jena-Leipzig, Leipzig, 04103, Germany. kristian.peters@ipb-halle.de.;Geobotany and Botanical Gardens, Martin-Luther University of Halle-Wittenberg, 06108, Halle, Germany. kristian.peters@ipb-halle.de.;Leibniz Institute of Plant Biochemistry, 06120, Halle, Germany. kristian.peters@ipb-halle.de. ^[5]

关键词 FAIR Metabolite annotation Tandem mass spectrometry Untargeted metabolomics Workflow

DOI 10.1186/s13321-023-00695-y

PMID 36871033

发布时间 2023-03-07

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