AMASS: Software for Automatically Validating the Quality of MS/MS Spectrum from SEQUEST Results

作者: Wei Sun , Fuxin Li , Jue Wang , Dexian Zheng , Youhe Gao

DOI: 10.1074/MCP.M400120-MCP200

关键词:

摘要: Time-consuming and experience-dependent manual validations of tandem mass spectra are usually applied to SEQUEST results. This inefficient method has become a significant bottleneck for MS/MS data processing. Here we introduce program AMASS ( advanced spectrum screener), which can filter the results by measuring match percentage high-abundant ions continuity matched fragment in b, y series. Compared with Xcorr DeltaCn filter, increase number positives reduce negatives 22 datasets generated from 18 known protein mixtures. It effectively removed most noisy spectra, false interpretations, about half poor fragmentation work synergistically Rscore filter. We believe use result more accurate identification peptide time energy validation.

参考文章(20)
Andrew J. Link, Jimmy Eng, David M. Schieltz, Edwin Carmack, Gregory J. Mize, David R. Morris, Barbara M. Garvik, John R. Yates, Direct analysis of protein complexes using mass spectrometry Nature Biotechnology. ,vol. 17, pp. 676- 682 ,(1999) , 10.1038/10890
Andrew Keller, Samuel Purvine, Alexey I. Nesvizhskii, Sergey Stolyar, David R. Goodlett, Eugene Kolker, Experimental Protein Mixture for Validating Tandem Mass Spectral Analysis OMICS: A Journal of Integrative Biology. ,vol. 6, pp. 207- 212 ,(2002) , 10.1089/153623102760092805
Michael P. Washburn, Dirk Wolters, John R. Yates, Large-scale analysis of the yeast proteome by multidimensional protein identification technology. Nature Biotechnology. ,vol. 19, pp. 242- 247 ,(2001) , 10.1038/85686
Karl R. Clauser, Peter Baker, Alma L. Burlingame, Role of Accurate Mass Measurement (±10 ppm) in Protein Identification Strategies Employing MS or MS/MS and Database Searching Analytical Chemistry. ,vol. 71, pp. 2871- 2882 ,(1999) , 10.1021/AC9810516
Jane Razumovskaya, Victor Olman, Dong Xu, Edward C. Uberbacher, Nathan C. VerBerkmoes, Robert L. Hettich, Ying Xu, A computational method for assessing peptide- identification reliability in tandem mass spectrometry analysis with SEQUEST. Proteomics. ,vol. 4, pp. 961- 969 ,(2004) , 10.1002/PMIC.200300656
D. C. Anderson, Weiqun Li, Donald G. Payan, William Stafford Noble, A new algorithm for the evaluation of shotgun peptide sequencing in proteomics: support vector machine classification of peptide MS/MS spectra and SEQUEST scores. Journal of Proteome Research. ,vol. 2, pp. 137- 146 ,(2003) , 10.1021/PR0255654
David N. Perkins, Darryl J. C. Pappin, David M. Creasy, John S. Cottrell, Probability-based protein identification by searching sequence databases using mass spectrometry data. Electrophoresis. ,vol. 20, pp. 3551- 3567 ,(1999) , 10.1002/(SICI)1522-2683(19991201)20:18<3551::AID-ELPS3551>3.0.CO;2-2
Blagoy Blagoev, Irina Kratchmarova, Shao-En Ong, Mogens Nielsen, Leonard J Foster, Matthias Mann, None, A proteomics strategy to elucidate functional protein-protein interactions applied to EGF signaling Nature Biotechnology. ,vol. 21, pp. 315- 318 ,(2003) , 10.1038/NBT790
Fuxin Li, Wei Sun, Youhe Gao, Jue Wang, RScore: a peptide randomicity score for evaluating tandem mass spectra Rapid Communications in Mass Spectrometry. ,vol. 18, pp. 1655- 1659 ,(2004) , 10.1002/RCM.1535
Alexey I. Nesvizhskii, Andrew Keller, Eugene Kolker, Ruedi Aebersold, A statistical model for identifying proteins by tandem mass spectrometry. Analytical Chemistry. ,vol. 75, pp. 4646- 4658 ,(2003) , 10.1021/AC0341261