Metabolomics Spectrum Resolver¶
You can find the Metabolomics Spectrum Resolver at https://metabolomics-usi.ucsd.edu/.
Universally Resolve MS/MS Data¶
This tool is meant to be able to show USIs from various sources. It will achieve the following goals:
- Enable creation of embeddable images in publications that will link out to viewable/interactable spectrum plots.
- 3rd party embedding for visualization of spectra that exist in repositories (e.g. MassIVE, PRIDE, PeptideAtlas).
- 3rd party embedding of QR code.
Universal Spectrum Identifier¶
The following are supported
- GNPS Molecular Networking Clustered Spectra
- GNPS Spectral Libraries
- ProteoXchange Repository Data
- MS2LDA Reference Motifs
- MassBank Library Spectra
- MetaboLights Dataset Spectra
- Metabolomics Workbench Dataset Spectra
Full details on formats of the identifiers can be found at Link.
Customization of Visualization¶
mz_min: Minimum m/z value.
mz_max: Maximum m/z value.
annotate_peaks: Defines which peaks in which spectrum (top or bottom) will be annotated. The parameters is a list of lists of m/z values of the peaks to be annotated. For a single spectrum plot it should be a single nested list (i.e.
[[m1, m2]]), for a mirror plot it should be two nested lists for the top spectrum and the bottom spectrum (i.e.
Web API Endpoints¶
Checkout the source code and contribute at GitHub.