Introduction to GNPS
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.
Online Video Tutorials
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.
Setup and Running Molecular Networking Workflow
Molecular Networking Documentation
Molecular Networking Group Attribute Formats
Molecular Networking ProteoSAFe Analysis on GNPS (online)
Molecular Networking Online Analysis
Cytoscape for Visualization and Analysis of Networks (offline)
Cytoscape 2.8.X Visualization and Analysis Documentation
Cytoscape 3.2.X Visualization and Analysis Documentation
Cytoscape 3.4.X Visualization and Analysis Documentation
Rarefaction Curve Analysis
Rarefaction Curve Documentation
Dereplication (Library Search)
Insilico Peptidic Natural Products Dereplicator
Insilico Peptidic Natural Products Dereplicator Documentation
Insilico Peptidic Natural Products Dereplicator Evaluation
Knowledge Base Curation
Spectral Library Quality Levels
Add Spectra Single Documentation
Add Batch Spectra Documentation
Spectral Library Curation
GNPS MassIVE Dataset Creation
MassIVE Datasets Social Networking
GNPS Continuous Identification and Data Exploration
GNPS Molecule Explorer
User Summary Page
GNPS Workshop, Generation of Molecular Networks in 15 minutes
Experimental workflow - GNPS Trinity
Data Conversion to GNPS Compatible Formats - .mzXML or .mzML
Data Conversion to GNPS Compatible Formats
File Upload Documentation (Drag and Drop/FTP)
Input File Uploads