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

Boecker S, Lipták Z, Martin M, Pervukhin A, Sudek H (2008)
BIOINFORMATICS 24(4): 591-593.

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Abstract
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.
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Boecker S, Lipták Z, Martin M, Pervukhin A, Sudek H. DECOMP - from interpreting mass spectrometry peaks to solving the money changing problem. BIOINFORMATICS. 2008;24(4):591-593.
Boecker, S., Lipták, Z., Martin, M., Pervukhin, A., & Sudek, H. (2008). DECOMP - from interpreting mass spectrometry peaks to solving the money changing problem. BIOINFORMATICS, 24(4), 591-593.
Boecker, S., Lipták, Z., Martin, M., Pervukhin, A., and Sudek, H. (2008). DECOMP - from interpreting mass spectrometry peaks to solving the money changing problem. BIOINFORMATICS 24, 591-593.
Boecker, S., et al., 2008. DECOMP - from interpreting mass spectrometry peaks to solving the money changing problem. BIOINFORMATICS, 24(4), p 591-593.
S. Boecker, et al., “DECOMP - from interpreting mass spectrometry peaks to solving the money changing problem”, BIOINFORMATICS, vol. 24, 2008, pp. 591-593.
Boecker, S., Lipták, Z., Martin, M., Pervukhin, A., Sudek, H.: DECOMP - from interpreting mass spectrometry peaks to solving the money changing problem. BIOINFORMATICS. 24, 591-593 (2008).
Boecker, Sebastian, Lipták, Zsuzsanna, Martin, Marcel, Pervukhin, Anton, and Sudek, Henner. “DECOMP - from interpreting mass spectrometry peaks to solving the money changing problem”. BIOINFORMATICS 24.4 (2008): 591-593.
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6 Citations in Europe PMC

Data provided by Europe PubMed Central.

Molecular Formula Identification Using Isotope Pattern Analysis and Calculation of Fragmentation Trees.
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Using R and Bioconductor for proteomics data analysis.
Gatto L, Christoforou A., Biochim. Biophys. Acta 1844(1 Pt A), 2014
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Duhrkop K, Scheubert K, Bocker S., Metabolites 3(2), 2013
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Scheubert K, Hufsky F, Bocker S., J Cheminform 5(1), 2013
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De novo peptide sequencing by tandem MS using complementary CID and electron transfer dissociation.
Bertsch A, Leinenbach A, Pervukhin A, Lubeck M, Hartmer R, Baessmann C, Elnakady YA, Muller R, Bocker S, Huber CG, Kohlbacher O., Electrophoresis 30(21), 2009
PMID: 19862751

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