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MetiTree: a web application to organize and process high resolution multi-stage mass spectrometry metabolomics data

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

MetiTree web application organize process high resolution multi stage mass spectrometry metabolomics data My Publications

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,

MetiTree: a web application to organize and process high resolution multi-stage mass spectrometry metabolomics data (Article)

Bioinformatics, Page(s): 2–4, 2012.

 

Abstract

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.

AVAILABILITY: MetiTree is accessible at www.MetiTree.nl The source code is available here.

In Simple Words

MetiTree improves metabolite identification by providing a place where to store, process, and compare MSn data. With MetiTree you can:

  • Process your raw MSn data files and determine the elemental composition of you unknown metabolite using the MEF tool.
  • Compare your MSn data to the other MSn data you stored in MetiTree and find similar trees using our fragmentation tree fingerprint method.
  • Visualize your MSn trees.

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metabolite identification using automated comparison of high-resolution multistage mass spectral trees
Metabolite Identification Using Automated Comparison of High-Resolution Multistage Mass Spectral Trees

I am co-author of a new publication in the field of metabolomics and metabolite identification. Its title is "Metabolite Identification...

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