Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices
Reviewartikel, 2021
This Perspective, from a large group of metabolomics experts, provides best practices and simplified reporting guidelines for practitioners of liquid chromatography- and gas chromatography-mass spectrometry-based metabolomics. 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.
Författare
Saleh Alseekh
Max-Planck-Gesellschaft
Institute of Plants Systems Biology and Biotechnology
Asaph Aharoni
Weizmann Institute of Science
Yariv Brotman
Ben-Gurion University of the Negev
Kevin Contrepois
Stanford University
John D'Auria
Leibniz Institute of Plant Genetics and Crop Plant Research (IPK)
Jan Ewald
Friedrich-Schiller-Universität Jena
Jennifer C. Ewald
Universität Tübingen
Paul D. Fraser
Royal Holloway University of London
Patrick Giavalisco
Max-Planck-Gesellschaft
Robert D. Hall
Wageningen University and Research
Matthias Heinemann
Rijksuniversiteit Groningen
Hannes Link
Max Planck Institute for Terrestrial Microbiology
Jie Luo
Hainan University
Steffen Neumann
Leibniz Institut fur Pflanzenbiochemie
Jens B Nielsen
Chalmers, Biologi och bioteknik, Systembiologi
BioInnovation Institute
Leonardo Perez de Souza
Max-Planck-Gesellschaft
Kazuki Saito
RIKEN
Chiba University
Uwe Sauer
Eidgenössische Technische Hochschule Zürich (ETH)
Frank C. Schroeder
Cornell University
Stefan Schuster
Friedrich-Schiller-Universität Jena
Gary Siuzdak
Scripps Research Institute
Aleksandra Skirycz
Cornell University
Max-Planck-Gesellschaft
Lloyd W. Sumner
University of Missouri
Michael P. Snyder
Stanford University
Huiru Tang
Fudan University
Takayuki Tohge
Nara Institute of Science and Technology
Yulan Wang
Nanyang Technological University
Weiwei Wen
Huazhong Agricultural University
Si Wu
Stanford University
Guowang Xu
Chinese Academy of Sciences
Nicola Zamboni
Eidgenössische Technische Hochschule Zürich (ETH)
Alisdair R. Fernie
Max-Planck-Gesellschaft
Institute of Plants Systems Biology and Biotechnology
Nature Methods
1548-7091 (ISSN) 1548-7105 (eISSN)
Vol. 18 7 747-756Ämneskategorier
Cellbiologi
Analytisk kemi
DOI
10.1038/s41592-021-01197-1
PubMed
34239102