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.
Availability:
MetiTree is accessible at
http://www.MetiTree.nl
. The source code is available at
https://github.com/NetherlandsMetabolomicsCentre/metitree/wiki
.
Contact:
m.rojas@lacdr.leidenuniv.nl
or
t.reijmers@lacdr.leidenuniv.nl