Metabolomics

Dataset Information

0

FDR-controlled metabolite annotation for high-resolution imaging mass spectrometry imaging MS (MALDI imaging 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. MALDI-FTICR 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): solarix

SUBMITTER: Andrew Palmer 

PROVIDER: MTBLS313 | MetaboLights | 2017-04-10

REPOSITORIES: MetaboLights

Json Xml

Dataset's files

Source:
Action DRS
MTBLS313 Other
FILES Other
a_MTBLS313_imagingms_metabolite_profiling_mass_spectrometry.txt Txt
i_Investigation.txt Txt
m_MTBLS313_imagingms_metabolite_profiling_mass_spectrometry_v2_maf.tsv Tabular
Items per page:
1 - 5 of 7
altmetric image

Publications

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  ...[more]

Similar Datasets

Metabolomics MetaboLights MTBLS378 - GNPS FDR-controlled metabolite annotation for high-resolution imaging mass spectrometry imaging MS (LC-MS assay)
2020-08-01 | MSV000085871 | GNPS
Metabolomics FDR-controlled metabolite annotation for high-resolution imaging mass spectrometry - simulated Imaging MS (Imaging simulation assay)
2016-12-05 | MTBLS317 | MetaboLights
Metabolomics FDR-controlled metabolite annotation for high-resolution imaging mass spectrometry imaging MS (LC-MS assay)
2016-12-05 | MTBLS378 | MetaboLights
Metabolomics Metabolite annotation of rat epididymis with High-resolution imaging mass spectrometry
2018-05-17 | MTBLS58 | MetaboLights
Proteomics Mouse brain MALDI-imaging proteomics profiling
2021-05-17 | PXD025486 | Pride
Genomics Interleukin-18 induced chromatin accessibility coupled to proteomic analysis by mass cytometry and ion beam imaging
2022-11-21 | GSE124297 | GEO
Proteomics SpiDe-Sr: blind super-resolution network for precise cell segmentation and clustering in spatial proteomics imaging
2024-02-25 | PXD050123 |
Genomics Multiplexed protein and drug imaging by super-resolution ion beam imaging
| PRJNA592191 | ENA
Proteomics Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset)
2014-11-19 | PXD001283 | Pride
Proteomics Multimodal Coregistration and Fusion between Spatial Metabol-omics and Biomedical Imaging
2023-03-06 | PXD040604 |