RT Journal Article
SR Electronic
T1 Interactive MS/MS Visualization with the Metabolomics Spectrum Resolver Web Service
JF bioRxiv
FD Cold Spring Harbor Laboratory
SP 2020.05.09.086066
DO 10.1101/2020.05.09.086066
A1 Wang, Mingxun
A1 Rogers, Simon
A1 Bittremieux, Wout
A1 Chen, Christopher
A1 Dorrestein, Pieter C.
A1 Schymanski, Emma L.
A1 Schulze, Tobias
A1 Neumann, Steffen
A1 Meier, Rene
YR 2020
UL http://biorxiv.org/content/early/2020/05/10/2020.05.09.086066.abstract
AB 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).Competing Interest StatementMingxun Wang is the founder of Ometa Labs LLC, Pieter C. Dorrestein is on the scientific advisory board of Sirenas and Cybele Microbiome