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MetaboLights MTBLS378 - GNPS FDR-controlled metabolite annotation for high-resolution imaging mass spectrometry imaging MS (LC-MS assay)

ABSTRACT: High-mass-resolution imaging mass spectrometry promises to localize hundreds of metabolites directly from tissues, cell cultures, and agar plates with cellular resolution, but is hampered by the lack of bioinformatics for automated metabolite identification. We developed the first bioinformatics framework for False Discovery Rate (FDR)-controlled metabolite annotation for high-mass-resolution imaging mass spectrometry (https://github.com/alexandrovteam/pySM) introducing a Metabolite-Signal Match (MSM) score and a target-decoy FDR-estimate for spatial metabolomics. LC-MS(/MS) datasets acquired from wild type adult mouse brain were used for the development of spatial metabolomics annotation bioinformatics. This study together with MTBLS317 and MTBLS378 provide the accompanying data for FDR-controlled metabolite annotation for high-resolution imaging mass spectrometry.

INSTRUMENT(S): Q Exactive|1001911

ORGANISM(S): Mus Musculus|10090

SUBMITTER: Andrew Palmer

PROVIDER: MSV000085871 | GNPS | Sat Aug 01 10:00:00 BST 2020

REPOSITORIES: GNPS

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