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bioRxiv · 10.1101/2020.05.09.086066

Interactive MS/MS Visualization with the Metabolomics Spectrum Resolver Web Service

Wang, M.·Rogers, S.·Bittremieux, W.·Chen, C.·Dorrestein, P. C.·Schymanski, E. L.·Schulze, T.·Neumann, S.·Meier, R.
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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 Initiatives 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.

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Wang, M., Rogers, S., Bittremieux, W., Chen, C., Dorrestein, P. C., Schymanski, E. L., Schulze, T., Neumann, S., Meier, R.. 2020-05-10. Interactive MS/MS Visualization with the Metabolomics Spectrum Resolver Web Service. https://doi.org/10.1101/2020.05.09.086066

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