title: MetiTree: a web application to organize and process high-resolution multi-stage mass spectrometry metabolomics data.
abstract: Identification of metabolites using high-resolution multi-stage mass spectrometry (MS(n)) data is a significant challenge demanding access to all sorts of computational infrastructures. MetiTree is a user-friendly, web application dedicated to organize, process, share, visualize and compare MS(n) data. It integrates several features to export and visualize complex MS(n) data, facilitating the exploration and interpretation of metabolomics experiments. A dedicated spectral tree viewer allows the simultaneous presentation of three related types of MS(n) data, namely, the spectral data, the fragmentation tree and the fragmentation reactions. MetiTree stores the data in an internal database to enable searching for similar fragmentation trees and matching against other MS(n) data. As such MetiTree contains much functionality that will make the difficult task of identifying unknown metabolites much easier.
  
  
  BACKGROUND
  MetiTree is accessible at http://www.MetiTree.nl. The source code is available at https://github.com/NetherlandsMetabolomicsCentre/metitree/wiki.
authors.affiliation: Netherlands Metabolomics Centre, Leiden, The Netherlands. m.rojas@lacdr.leidenuniv.nl
authors.forename: Miguel
authors.initials: M
authors.lastname: Rojas-Chertó
authors.forename: Michael
authors.initials: M
authors.lastname: van Vliet
authors.forename: Julio E
authors.initials: JE
authors.lastname: Peironcely
authors.forename: Ronnie
authors.initials: R
authors.lastname: van Doorn
authors.forename: Maarten
authors.initials: M
authors.lastname: Kooyman
authors.forename: Tim
authors.initials: T
authors.lastname: te Beek
authors.forename: Marc A
authors.initials: MA
authors.lastname: van Driel
authors.forename: Thomas
authors.initials: T
authors.lastname: Hankemeier
authors.forename: Theo
authors.initials: T
authors.lastname: Reijmers
mesh_terms: D020407:Internet; D013058:Mass Spectrometry; D055432:Metabolomics / Q000379:methods*; D012984:Software