I am co-author of a new publication in the field of metabolomics and metabolite identification. Its title is “MetiTree: a web application to organize and process high resolution multi-stage mass spectrometry metabolomics data”
Miguel, Rojas-Cherto,; Michael, van Vliet,; E, Peironcely, Julio; Ronnie, van Doorn,; Maarten, Kooyman,; Te, Beek, Tim; a, van Driel, Marc; Thomas, Hankemeier,; Theo, Reijmers,
Bioinformatics, Page(s): 2–4, 2012.
SUMMARY: Identification of metabolites using high resolution multistage 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.
In Simple Words
MetiTree improves metabolite identification by providing a place where to store, process, and compare MSn data. With MetiTree you can: