Details

Autor(en) / Beteiligte

• Alseekh, Saleh
• Aharoni, Asaph
• Brotman, Yariv
• Contrepois, Kévin
• D'Auria, John
• Ewald, Jan
• C Ewald, Jennifer
• Fraser, Paul D
• Giavalisco, Patrick
• Hall, Robert D
• Heinemann, Matthias
• Link, Hannes
• Luo, Jie
• Neumann, Steffen
• Nielsen, Jens
• Perez de Souza, Leonardo
• Saito, Kazuki
• Sauer, Uwe
• Schroeder, Frank C
• Schuster, Stefan
• Siuzdak, Gary
• Skirycz, Aleksandra
• Sumner, Lloyd W
• Snyder, Michael P
• Tang, Huiru
• Tohge, Takayuki
• Wang, Yulan
• Wen, Weiwei
• Wu, Si
• Xu, Guowang
• Zamboni, Nicola
• Fernie, Alisdair R

Titel

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

Ist Teil von

• Nature methods, 2021-07, Vol.18 (7), p.747-756

Ort / Verlag

United States

Erscheinungsjahr

2021

Quelle

MEDLINE

Beschreibungen/Notizen

• 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.