原创力文档accurate peak list extraction from proteomic mass spectra for identification and profiling studies精确的峰值提取列表从蛋白质组学质谱鉴定和分析研究.pdfVIP
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accurate peak list extraction from proteomic mass spectra for identification and profiling studies精确的峰值提取列表从蛋白质组学质谱鉴定和分析研究
Barbarini and Magni BMC Bioinformatics 2010, 11:518
/1471-2105/11/518
METHODOLOGY ARTICLE Open Access
Accurate peak list extraction from proteomic mass
spectra for identification and profiling studies
*
Nicola Barbarini , Paolo Magni
Abstract
Background: Mass spectrometry is an essential technique in proteomics both to identify the proteins of a
biological sample and to compare proteomic profiles of different samples. In both cases, the main phase of the
data analysis is the procedure to extract the significant features from a mass spectrum. Its final output is the so-
called peak list which contains the mass, the charge and the intensity of every detected biomolecule. The main
steps of the peak list extraction procedure are usually preprocessing, peak detection, peak selection, charge
determination and monoisotoping operation.
Results: This paper describes an original algorithm for peak list extraction from low and high resolution mass
spectra. It has been developed principally to improve the precision of peak extraction in comparison to other
reference algorithms. It contains many innovative features among which a sophisticated method for managing the
overlapping isotopic distributions.
Conclusions: The performances of the basic version of the algorithm and of its optional functionalities have been
evaluated in this paper on both SELDI-TOF, MALDI-TOF and ESI-FTICR ECD mass spectra. Executable files of
MassSpec, a MATLAB implementation of the peak list extraction procedure for Windows and Linux systems, can be
downloaded free of charge for nonprofit institutions from the following web site: http://aimed11.unipv.it/MassSpec.
Background capture dissociation (ECD) combined with ESI-FTICR is
Mass spectrometry (MS) has been one of the most
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