MetWork represents a full implementation of the metabolome consistency concept. The workflow is based on MS/MS data, organized in molecular network using the Global Natural Products Social Molecular Networking (GNPS) platform, a collaborative library of reactions and a MS/MS spectra prediction module. Having one node identified in the molecular network, the server generates putative structures and predict the associated MS/MS spectra when the exact mass is detected in the network. A similarity comparison between the MS/MS spectra is then performed in order to annotate the node.
If you use MetWork please cite:
Yann Beauxis and Grégory Genta-Jouve
Bioinformatics, Volume 35, Issue 10, 15 May 2019, Pages 1795–1796,
Load your HPLC-MS/MS data samples in .mgf format and annotate them on web interface.
You can explore the resulting molecular network with cytoscape.js integration.
MetWork explore candidate structures by using a set a biochemical reactions.
Run computation of a dataset via a “project” that integrate bio-transformations and in silico fragmentation.
You can explore project results on metabolization graph.