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

被引:51
作者
Bunk, Boyke
Kucklick, Martin
Jonas, Rochus
Muench, Richard
Schobert, Max
Jahn, Dieter
Hiller, Karsten
机构
[1] Tech Univ Carolo Wilhelmina Braunschweig, Inst Microbiol, D-38106 Braunschweig, Germany
[2] Tech Univ Carolo Wilhelmina Braunschweig, Inst Bioverfahrenstech, D-38106 Braunschweig, Germany
关键词
D O I
10.1093/bioinformatics/btl526
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
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.
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页码:2962 / 2965
页数:4
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