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

被引:53
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.
引用
收藏
页码:2962 / 2965
页数:4
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