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

Alseekh, S., Aharoni, A., Brotman, Y., Contrepois, K., D’Auria, J., Ewald, J., et al. (2021). Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices. Nature Methods, 18(7), 747-756. doi:10.1038/s41592-021-01197-1.

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Alseekh, S.1, Autor           
Aharoni, Asaph2, Autor
Brotman, Yariv2, Autor
Contrepois, Kévin2, Autor
D’Auria, John2, Autor
Ewald, Jan2, Autor
C. Ewald, Jennifer2, Autor
Fraser, Paul D.2, Autor
Giavalisco, Patrick2, Autor
Hall, Robert D.2, Autor
Heinemann, Matthias2, Autor
Link, Hannes2, Autor
Luo, Jie2, Autor
Neumann, Steffen2, Autor
Nielsen, Jens2, Autor
de Souza, L. P.3, Autor           
Saito, Kazuki2, Autor
Sauer, Uwe2, Autor
Schroeder, Frank C.2, Autor
Schuster, Stefan2, Autor
Siuzdak, Gary2, AutorSkirycz, A.4, Autor           Sumner, Lloyd W.2, AutorSnyder, Michael P.2, AutorTang, Huiru2, AutorTohge, Takayuki2, AutorWang, Yulan2, AutorWen, Weiwei2, AutorWu, Si2, AutorXu, Guowang2, AutorZamboni, Nicola2, AutorFernie, A. R.3, Autor            mehr..
Affiliations:
1The Genetics of Crop Metabolism, Department Willmitzer, Max Planck Institute of Molecular Plant Physiology, Max Planck Society, ou_3244836              
2external, ou_persistent22              
3Central Metabolism, Department Willmitzer, Max Planck Institute of Molecular Plant Physiology, Max Planck Society, ou_1753339              
4Small-Molecule Signalling, Department Willmitzer, Max Planck Institute of Molecular Plant Physiology, Max Planck Society, ou_2586692              

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 Zusammenfassung: 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.

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Sprache(n): eng - English
 Datum: 2021-07-12
 Publikationsstatus: Erschienen
 Seiten: -
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: -
 Identifikatoren: DOI: 10.1038/s41592-021-01197-1
Anderer: Alseekh2021
 Art des Abschluß: -

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Titel: Nature Methods
  Andere : Nature Methods
Genre der Quelle: Zeitschrift
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Affiliations:
Ort, Verlag, Ausgabe: New York, NY : Nature Pub. Group
Seiten: - Band / Heft: 18 (7) Artikelnummer: - Start- / Endseite: 747 - 756 Identifikator: ISSN: 1548-7091
CoNE: https://pure.mpg.de/cone/journals/resource/111088195279556