@article{bfdfa46e8b4b41c69f22d7e20bab3255,
title = "Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices",
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.",
author = "Saleh Alseekh and Asaph Aharoni and Yariv Brotman and K{\'e}vin Contrepois and John D{\textquoteright}Auria and Jan Ewald and \{C. Ewald\}, Jennifer and Fraser, \{Paul D.\} and Patrick Giavalisco and Hall, \{Robert D.\} and Matthias Heinemann and Hannes Link and Jie Luo and Steffen Neumann and Jens Nielsen and \{Perez de Souza\}, Leonardo and Kazuki Saito and Uwe Sauer and Schroeder, \{Frank C.\} and Stefan Schuster and Gary Siuzdak and Aleksandra Skirycz and Sumner, \{Lloyd W.\} and Snyder, \{Michael P.\} and Huiru Tang and Takayuki Tohge and Yulan Wang and Weiwei Wen and Si Wu and Guowang Xu and Nicola Zamboni and Fernie, \{Alisdair R.\}",
note = "Publisher Copyright: {\textcopyright} 2021, Springer Nature America, Inc.",
year = "2021",
month = jul,
doi = "10.1038/s41592-021-01197-1",
language = "אנגלית",
volume = "18",
pages = "747--756",
journal = "Nature Methods",
issn = "1548-7091",
publisher = "Nature Research",
number = "7",
}