Universal MS/MS Visualization and Retrieval with the Metabolomics Spectrum Resolver Web Service
Year: 2020
Type: preprint
Abstract: The growth of online mass spectrometry metabolomics resources, including data repositories, spectral library databases, and online analysis platforms has created an environment of online/web accessibility. Here, we introduce the Metabolomics Spectrum Resolver ( https://metabolomics-usi.ucsd.edu/ ), a tool that builds upon these exciting developments to allow for consistent data export (in human and machine-readable forms) and publication-ready visualisations of tandem mass spectrometry spectra. This tool supports the Human Proteome Organization – Proteomics Standards Initiative’s Universal Spectrum Identifier (USI) specification, which has been extended to deal with the metabolomics use cases. To date, this resource already supports data formats from GNPS, MassBank, MS2LDA, MassIVE, MetaboLights, and Metabolomics Workbench and is integrated into several of these resources.
Authors: Wout Bittremieux, Christopher Chen, Pieter C. Dorrestein, Emma L. Schymanski, Tobias Schulze, Steffen Neumann, Rene Meier, Simon Rogers, Mingxun Wang
Institutions: University of Antwerp, University of California San Diego, University of Luxembourg, Luxembourg Centre for Systems Biomedicine, Leibniz Institute of Plant Biochemistry, Helmholtz Centre for Environmental Research, German Centre for Integrative Biodiversity Research, University of Glasgow
Language: English
Subfield: Molecular Biology
Domain: Life Sciences
Open Access status: green
OpenAlex ID: W3023444868