Details

Autor(en) / Beteiligte

• Palmer, Andrew
• Phapale, Prasad
• Chernyavsky, Ilya
• Lavigne, Regis
• Fay, Dominik
• Tarasov, Artem
• Kovalev, Vitaly
• Fuchser, Jens
• Nikolenko, Sergey
• Pineau, Charles
• Becker, Michael
• Alexandrov, Theodore

Titel

FDR-controlled metabolite annotation for high-resolution imaging mass spectrometry

Ist Teil von

• Nature methods, 2017-01, Vol.14 (1), p.57

Ort / Verlag

United States

Erscheinungsjahr

2017

Link zum Volltext

Quelle

MEDLINE

Beschreibungen/Notizen

• High-mass-resolution imaging mass spectrometry promises to localize hundreds of metabolites in tissues, cell cultures, and agar plates with cellular resolution, but it is hampered by the lack of bioinformatics tools for automated metabolite identification. We report pySM, a framework for false discovery rate (FDR)-controlled metabolite annotation at the level of the molecular sum formula, for high-mass-resolution imaging mass spectrometry (https://github.com/alexandrovteam/pySM). We introduce a metabolite-signal match score and a target-decoy FDR estimate for spatial metabolomics.