Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices.

Autor: Alseekh S; Max Planck Institute of Molecular Plant Physiology, Potsdam-Golm, Germany. alseekh@mpimp-golm.mpg.de.; Institute of Plants Systems Biology and Biotechnology, Plovdiv, Bulgaria. alseekh@mpimp-golm.mpg.de., Aharoni A; Department of Plant and Environmental Sciences, Weizmann Institute of Science, Rehovot, Israel., Brotman Y; Department of Life Sciences, Ben Gurion University of the Negev, Beersheva, Israel., Contrepois K; Department of Genetics, Stanford University School of Medicine, Stanford, CA, USA., D'Auria J; Leibniz Institute of Plant Genetics and Crop Plant Research (IPK), Gatersleben, Germany., Ewald J; Department of Bioinformatics, University of Jena, Jena, Germany., C Ewald J; Interfaculty Institute of Cell Biology, Eberhard Karls University of Tuebingen, Tuebingen, Germany., Fraser PD; Biological Sciences, Royal Holloway University of London, Egham, UK., Giavalisco P; Max Planck Institute for Biology of Ageing, Cologne, Germany., Hall RD; BU Bioscience, Wageningen Research, Wageningen, the Netherlands.; Laboratory of Plant Physiology, Wageningen University, Wageningen, the Netherlands., Heinemann M; Molecular Systems Biology, Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, Groningen, the Netherlands., Link H; Max Planck Institute for Terrestrial Microbiology, Marburg, Germany., Luo J; College of Tropical Crops, Hainan University, Haikou, China., Neumann S; Bioinformatics and Scientific Data, Leibniz Institute for Plant Biochemistry, Halle, Germany., Nielsen J; BioInnovation Institute, Copenhagen, Denmark.; Department of Biology and Biological Engineering, Chalmers University of Technology, Gothenburg, Sweden., Perez de Souza L; Max Planck Institute of Molecular Plant Physiology, Potsdam-Golm, Germany., Saito K; Plant Molecular Science Center, Chiba University, Chiba, Japan.; RIKEN Center for Sustainable Resource Science, Yokohama, Japan., Sauer U; Institute for Molecular Systems Biology, ETH Zurich, Zurich, Switzerland., Schroeder FC; Boyce Thompson Institute and Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, USA., Schuster S; Department of Bioinformatics, University of Jena, Jena, Germany., Siuzdak G; Center for Metabolomics and Mass Spectrometry, Scripps Research Institute, La Jolla, CA, USA., Skirycz A; Max Planck Institute of Molecular Plant Physiology, Potsdam-Golm, Germany.; Boyce Thompson Institute and Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, USA., Sumner LW; Department of Biochemistry and MU Metabolomics Center, University of Missouri, Columbia, MO, USA., Snyder MP; Department of Genetics, Stanford University School of Medicine, Stanford, CA, USA., Tang H; State Key Laboratory of Genetic Engineering, Zhongshan Hospital and School of Life Sciences, Human Phenome Institute, Metabonomics and Systems Biology Laboratory at Shanghai International Centre for Molecular Phenomics, Fudan University, Shanghai, China., Tohge T; Department of Biological Science, Nara Institute of Science and Technology, Ikoma, Japan., Wang Y; Singapore Phenome Center, Lee Kong Chian School of Medicine, School of Biological Sciences, Nanyang Technological University, Nanyang, Singapore., Wen W; Key Laboratory of Horticultural Plant Biology (MOE), College of Horticulture and Forestry Sciences, Huazhong Agricultural University, Wuhan, China., Wu S; Department of Genetics, Stanford University School of Medicine, Stanford, CA, USA., Xu G; CAS Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China., Zamboni N; Institute for Molecular Systems Biology, ETH Zurich, Zurich, Switzerland., Fernie AR; Max Planck Institute of Molecular Plant Physiology, Potsdam-Golm, Germany. fernie@mpimp-golm.mpg.de.; Institute of Plants Systems Biology and Biotechnology, Plovdiv, Bulgaria. fernie@mpimp-golm.mpg.de.
Jazyk: angličtina
Zdroj: Nature methods [Nat Methods] 2021 Jul; Vol. 18 (7), pp. 747-756. Date of Electronic Publication: 2021 Jul 08.
DOI: 10.1038/s41592-021-01197-1
Abstrakt: Mass spectrometry-based metabolomics approaches can enable detection and quantification of many thousands of metabolite features simultaneously. However, compound identification and reliable quantification are greatly complicated owing to the chemical complexity and dynamic range of the metabolome. Simultaneous quantification of many metabolites within complex mixtures can additionally be complicated by ion suppression, fragmentation and the presence of isomers. Here we present guidelines covering sample preparation, replication and randomization, quantification, recovery and recombination, ion suppression and peak misidentification, as a means to enable high-quality reporting of liquid chromatography- and gas chromatography-mass spectrometry-based metabolomics-derived data.
Databáze: MEDLINE