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Bioinformatics Advance Access published online on October 17, 2006
Bioinformatics, doi:10.1093/bioinformatics/btl526
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© The Author (2006). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oxfordjournals.org
Received May 16, 2006
Revised October 9, 2006
Accepted October 10, 2006

Applications note

MetaQuant: a tool for the automatic quantification of GC/MS based metabolome data

Boyke Bunk 1, Martin Kucklick 1, Rochus Jonas 2, Richard Münch 1, Max Schobert 1, Dieter Jahn 1 *, and Karsten Hiller 1

1 Institute of Microbiology, Technical University of Braunschweig, Spielmannstr. 7, D-38106 Braunschweig, Germany
2 Institut für Bioverfahrenstechnik, Technische Universität Braunschweig, Gaußstr. 17, D-38106 Braunschweig, Germany

* To whom correspondence should be addressed.
Dieter Jahn, E-mail: d.jahn{at}tu-bs.de


  Abstract

Summary: MetaQuant is a Java based program for the automatic and accurate quantification of GC/MS based metabolome data. In contrast to other programs MetaQuant is able to quantify hundreds of substances simultaneously with minimal manual intervention. The integration of a self-acting calibration function allows the parallel and fast calibration for several metabolites simultaneously. Finally, MetaQuant is able to import GC/MS data in the common NetCDF format and to export the results of the quantification into Systems Biology Markup Language (SBML), Comma Separated Values (CSV) or Microsoft Excel (XLS) format.

Availability: MetaQuant is written in Java and is available under an open source license. Precompiled packages for the installation on Windows or Linux operating systems are freely available for download. The source code as well as the installation packages are available at http://bioinformatics.org/metaquant.

Associate Editor: Nikolaus Rajewsky
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