| Literature DB >> 34239102 |
Saleh Alseekh1,2, Asaph Aharoni3, Yariv Brotman4, Kévin Contrepois5, John D'Auria6, Jan Ewald7, Jennifer C Ewald8, Paul D Fraser9, Patrick Giavalisco10, Robert D Hall11,12, Matthias Heinemann13, Hannes Link14, Jie Luo15, Steffen Neumann16, Jens Nielsen17,18, Leonardo Perez de Souza19, Kazuki Saito20,21, Uwe Sauer22, Frank C Schroeder23, Stefan Schuster7, Gary Siuzdak24, Aleksandra Skirycz19,23, Lloyd W Sumner25, Michael P Snyder5, Huiru Tang26, Takayuki Tohge27, Yulan Wang28, Weiwei Wen29, Si Wu5, Guowang Xu30, Nicola Zamboni22, Alisdair R Fernie31,32.
Abstract
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.Entities:
Mesh：
Year: 2021 PMID： 34239102 PMCID： PMC8592384 DOI： 10.1038/s41592-021-01197-1
Source DB: PubMed Journal: Nat Methods ISSN： 1548-7091 Impact factor: 47.990