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

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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 for tandem mass spectrometry spectra. This tool supports the draft Human Proteome Organizations Proteomics Standards Initiative’s 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, providing a valuable open source community contribution ( https://github.com/mwang87/MetabolomicsSpectrumResolver).

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          Author and article information

          Journal
          bioRxiv
          May 10 2020
          Article
          10.1101/2020.05.09.086066
          36707698-5a4d-4d85-94f3-4e33090f21d1
          © 2020
          History

          Quantitative & Systems biology,Biophysics
          Quantitative & Systems biology, Biophysics

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