The MetaboHUB PeakForest database provides storage and annotation services for metabolic profils of biological matrix.
Through its web portal, PeakForest is devoted to the high-throughput annotation and de novo identification of metabolites.
It relies on the wide range of complementary methods using UPLC-(API)HRMS, GC-QToF, and NMR provided by the MetaboHUB platforms
to perform untargeted metabolomic analyses on biofluids (human plasma and urine),
tissue samples (eg, tomato fruit) and cell extracts (eg, E. coli and S. cerevisiae).
The MS and NMR spectra of a thousand reference compounds along with the corresponding metadata have already been collected.
Franck Giacomoni (INRA, Metabolism Exploration Platform) coordinated the project and Etienne Thévenot (CEA, The MetabolomeIDF) coordinated the MetaboHUB bioinformatic workpackage.
Nils Paulhe (INRA, Metabolism Exploration Platform) headed the API and the webApp developments.
Daniel Jacob (INRA, Bordeaux Metabolome Platform ), Etienne Thévenot, Jean-François Martin (INRA, The MetaToul platform, Toulouse), Nils Paulhe and Franck Giacomoni defined the specifications for the database and developed the PeakForest structure.
Nils Paulhe, Claire Lopez (INRA, Post-doctoral fellow), Daniel Jacob, Pierrick Roger-Mele (CEA, The MetabolomeIDF) and Franck Giacomoni worked on the data model.
Claire Lopez, Stéphane Bernillon, Catherine Deborde, Annick Moing (INRA, Bordeaux Metabolome Platform ), Cécile Canlet, Justine Bertrand-Michel, Laurent Debrauwer (INRA, The MetaToul platform, Toulouse), Christophe Junot, Jean-Claude Tabet (CEA, The MetabolomeIDF), Bernard Lyan, Estelle Pujos-Guillot (INRA, Metabolism Exploration Platform) provided their expertise in chemistry, mass spectrometry and nuclear magnetic resonance for the development of PeakForest.
Marie-Françoise Olivier (CEA, The MetabolomeIDF), Charlotte Joly and Delphine Centeno (INRA, Metabolism Exploration Platform), Marie Tremblay-Franco, Cécile Canlet and Emilien Janin, Lindsay Peyrigat (INRA, The MetaToul platform, Toulouse), Catherine Deborde and Vanessa Zhendre (INRA, Bordeaux Metabolome Platform ) compiled and evaluated original data of PeakForest chemical library.
Christophe Duperier (INRA, Metabolism Exploration Platform) for computing facilities (databases and web servers).
Marie Lefevbre (INRA, Bordeaux Metabolome Platform ) and Daniel Jacob for NMR Peak Matching algorithm and webservices.
Marion Landi (INRA, Metabolism Exploration Platform) for BiH Peak Matching tool.
Nils Paulhe, Benjamin Merlet, Florence Vison and Fabien Jourdan (INRA, Toxalim Unit) for PeakForest mapping on MetExplore.
For the alpha version, beta testers are: Charlotte Joly, Claire Lopez, Sylvain Emery, Cécile Canlet, Emilien Janin, Lindsay Peyrigat, Cécile Cabasson, Julie Pinelli, Alyssa Bouville, Léa Roch, and Ulli Hohenester.
Software and Technologies
The current page is using a bootstrap (Code licensed under MIT) template provided by
Start bootstrap (license Apache 2.0).
The web-application is based on Spring Framework (Apache License 2.0)
and use Open Babel (GNU General Public License) to compute and recover compounds chemical properties.
The molecules 3D display on webpages are powered thanks GLmol (dual license of LGPL3 or MIT license) and JSmol (GNU Lesser General Public License).
The basic spectra and data viewers use HighChart libraries (Creative Commons Attribution-NonCommercial 3.0 License, free for non-commercial website).
The NMR spectra viewers using raw data are powered thanks "NMR viewer for PeakForest" by Marie Lefebvre and Daniel Jacob (based on Specktackle, using R-Base in back-end).
The table displayed with spreadsheet-like formatting are powered thanks Handsontable (MIT license).
MetExploreViz is a tool to visualize metabolic network.
It allows to map "omics" data and to interact with metabolic networks.
For further information please refer to MetExploreViz documentation
and the Bioinformatics publication.
Powered by the MetExplore Team.
Partners and supports
MetaboHUB is a national infrastructure of metabolomics and fluxomics that provides tools and services to academic research teams
and industrial partners in the fields of health, nutrition, agriculture, environment and biotechnology.
For further informations, please visit metabohub.fr.
PeakForest version 2.0 ; 2017/09/27 - 09:50 ; 6ef2e18e