Global Natural Products Social Molecular Networking (GNPS, https://gnps.ucsd.edu/) is a web-based mass spectrometry ecosystem that aims to be an open-access knowledge base for community-wide organization and sharing of raw, processed or identified tandem mass (MS/MS) spectrometry data. GNPS aids in identification and discovery throughout the entire life cycle of data; from initial data acquisition/analysis to post publication.
As there are many aspects to GNPS, it can be a bit overwhelming. Here is a quick description of main functionalities:
Analyze and Annotate
- Perform molecular networking and spectral library search of LC-MS/MS data utilizing computational tools (See Molecular Networking, Spectral Library Search, etc).
- Annotate/curate identified MS/MS spectra in open-access GNPS reference spectral libraries.
- Annotate peptidic natural products in LC-MS/MS data with DEREPLICATOR/VarQuest/DEREPLICATOR+ and RiPPQuest.
- Propagate in silico annotations in your LC-MS/MS data with Network Annotation Propagation (NAP).
- NEW! Perform advanced molecular networking and spectral library search with Feature-Based Molecular Networking. See https://doi.org/10.1101/812404.
- NEW! Analyze GC-MS data with GNPS (See GC-MS deconvolution, and GC-MS library search/molecular networks).
- NEW! Annotate your LC-MS/MS data with MolNetEnhancer. See https://doi.org/10.1101/654459.
- NEW! Search spectral Mass2Motifs in your LC-MS/MS data with MS2LDA.
- NEW! Give LC-MS/MS spectra biological/environmental context by searching against all public LC-MS/MS datasets (MASST Search). See https://doi.org/10.1101/591016.
- NEW! Find and co- or re-analyze public LC-MS/MS data via systematic sample information at ReDU. See https://doi.org/10.1101/750471.
Share and Explore
- Publish entire study datasets with the Mass Spectrometry Interactive Virtual Environment (MassIVE) data repository (Dataset Submission).
- Browse and Reanalyze over 700 public datasets at GNPS
- Automatic reanalysis of public datasets with automated reports of new identifications (Continuous Identification).
- Explore identifications of public datasets across entire repository (Molecule Explorer).
Contribute to GNPS
The GNPS community is always welcoming suggestions and contributions. Be part of the community and contribute ! See that page for more informations.