Global Natural Products Social Molecular Networking (GNPS) web-platform provides public data set deposition and/or retrieval through the Mass Spectrometry Interactive Virtual Environment (MassIVE) data repository. The GNPS analysis infrastructure further enables online dereplication, automated molecular networking analysis, and crowdsourced MS/MS spectrum curation. Each data set added to the GNPS repository is automatically reanalyzed in the next monthly cycle of continuous identification.
For more information, please check out the GNPS paper published in Nature Biotechnology by Ming et al , as well as the video and the ressource sections below.
Molecular networks are visual displays of the chemical space present in tandem mass spectrometry (MS/MS) experiments. This visualization approach can detect sets of spectra from related molecules (so-called spectral networks), even when the spectra themselves are not matched to any known compounds.
The visualization of molecular networks in GNPS represents each MS/MS spectrum as a node, and spectrum-to-spectrum relatedness as edges (connections) between nodes.
See the GNPS paper, and the resources below.
Add Spectra Single Documentation
Cytoscape 2.8.X Visualization and Analysis Documentation
Data Conversion to .mzXML
GNPS Continuous Identification and Data Exploration
GNPS MassIVE Dataset Creation
Input File Uploads
Insilico Peptidic Natural Products Dereplicator Documentation
MassIVE Datasets Social Networking
Molecular Networking Analysis Documentation
Molecular Networking Documentation
Molecular Networking Group Attribute Formats
NIH Natural Products Spectral Library NPAC ACONN
Rarefaction Curve Documentation
Spectral Library Curation
Spectral Library Quality Levels
User Summary Page