DECOMP -: from interpreting mass spectrometry peaks to solving the money changing problem

被引：15

作者：

Boecker, Sebastian ^{[1
]}

Liptak, Zsuzsanna ^{[2
]}

Martin, Marcel ^{[2
]}

Pervukhin, Anton ^{[1
]}

Sudek, Henner ^{[2
]}

机构：

[1] Univ Jena, Lehrstuhl Bioinformat, D-07743 Jena, Germany

[2] Univ Bielefeld, Tech Fak, AG Genominformat, D-33501 Bielefeld, Germany

来源：

BIOINFORMATICS | 2008年 / 24卷 / 04期

关键词：

D O I：

10.1093/bioinformatics/btm631

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

We introduce DECOMP a tool that computes the sum formula of all molecules whose mass equals the input mass. This problem arises frequently in biochemistry and mass spectrometry (MS), when we know the molecular mass of a protein, DNA or metabolite fragment but have no other information. A closely related problem is known as the Money Changing Problem (MCP), where all masses are positive integers. Recently, efficient algorithms have been developed for the MCP, in which DECOMP applies to real-valued MS data. The excellent performance of this method on proteomic and metabolomic MS data has recently been demonstrated. DECOMP has an easy-to-use graphical interface, which caters for both types of users: those interested in solving MCP instances and those submitting MS data.

引用

页码：591 / 593

页数：3

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