When less can yield more - Computational preprocessing of MS/MS spectra for peptide identification

被引:60
作者
Renard, Bernhard Y. [2 ]
Kirchner, Marc [2 ,3 ]
Monigatti, Flavio [3 ]
Ivanov, Alexander R. [4 ]
Rappsilber, Juri [5 ]
Winter, Dominic [3 ]
Steen, Judith A. J. [6 ,7 ]
Hamprecht, Fred A. [2 ]
Steen, Hanno [1 ,3 ]
机构
[1] Childrens Hosp, Dept Pathol, Prote Ctr, Boston, MA 02115 USA
[2] Univ Heidelberg, Interdisciplinary Ctr Sci Comp, Heidelberg, Germany
[3] Harvard Univ, Sch Med, Dept Pathol, Boston, MA 02115 USA
[4] Harvard Univ, Sch Publ Hlth, Dept Genet & Complex Dis, Boston, MA 02115 USA
[5] Univ Edinburgh, Wellcome Trust Ctr Cell Biol, Edinburgh, Midlothian, Scotland
[6] Harvard Univ, Sch Med, Dept Neurobiol, Boston, MA 02115 USA
[7] Childrens Hosp, Dept Neurol, Boston, MA 02115 USA
关键词
TANDEM MASS-SPECTRA; PROTEIN IDENTIFICATION; SPECTROMETRY DATA; QUALITY ASSESSMENT; ALGORITHMS; PROTEOMICS; DATABASE; MASCOT; RATES;
D O I
10.1002/pmic.200900326
中图分类号
Q5 [生物化学];
学科分类号
070307 [化学生物学];
摘要
The effectiveness of database search algorithms, such as Mascot, Sequest and ProteinPilot is limited by the quality of the input spectra: spurious peaks in MS/MS spectra can jeopardize the correct identification of peptides or reduce their score significantly. Consequently, an efficient preprocessing of MS/MS spectra can increase the sensitivity of peptide identification at reduced file sizes and run time without compromising its specificity. We investigate the performance of 25 MS/MS preprocessing methods on various data sets and make software for improved preprocessing of mgf/dta-files freely available from http://hci.iwr.uni-heidelberg.de/mip/proteomics or http://www.childrenshospital.org/research/steenlab.
引用
收藏
页码:4978 / 4984
页数:7
相关论文
共 27 条
[1]
Comparative evaluation of tandem MS search algorithms using a target-decoy search strategy [J].
Balgley, Brian M. ;
Laudeman, Tom ;
Yang, Li ;
Song, Tao ;
Lee, Cheng S. .
MOLECULAR & CELLULAR PROTEOMICS, 2007, 6 (09) :1599-1608
[2]
Extractor for ESI quadrupole TOF tandem MS data enabled for high throughput batch processing [J].
Boehm, AM ;
Galvin, RP ;
Sickmann, A .
BMC BIOINFORMATICS, 2004, 5 (1)
[3]
Comparison of mascot and X!Tandem performance for low and high accuracy mass spectrometry and the development of an adjusted Mascot threshold [J].
Brosch, Markus ;
Swamy, Sajani ;
Hubbard, Tim ;
Choudhary, Jyoti .
MOLECULAR & CELLULAR PROTEOMICS, 2008, 7 (05) :962-970
[4]
MaxQuant enables high peptide identification rates, individualized p.p.b.-range mass accuracies and proteome-wide protein quantification [J].
Cox, Juergen ;
Mann, Matthias .
NATURE BIOTECHNOLOGY, 2008, 26 (12) :1367-1372
[5]
AN APPROACH TO CORRELATE TANDEM MASS-SPECTRAL DATA OF PEPTIDES WITH AMINO-ACID-SEQUENCES IN A PROTEIN DATABASE [J].
ENG, JK ;
MCCORMACK, AL ;
YATES, JR .
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 1994, 5 (11) :976-989
[6]
Clustering millions of tandem mass spectra [J].
Frank, Ari M. ;
Bandeira, Nuno ;
Shen, Zhouxin ;
Tanner, Stephen ;
Briggs, Steven P. ;
Smith, Richard D. ;
Pevzner, Pavel A. .
JOURNAL OF PROTEOME RESEARCH, 2008, 7 (01) :113-122
[7]
Open mass spectrometry search algorithm [J].
Geer, LY ;
Markey, SP ;
Kowalak, JA ;
Wagner, L ;
Xu, M ;
Maynard, DM ;
Yang, XY ;
Shi, WY ;
Bryant, SH .
JOURNAL OF PROTEOME RESEARCH, 2004, 3 (05) :958-964
[8]
Preprocessing of tandem mass spectrometric data to support automatic protein identification [J].
Gentzel, M ;
Köcher, T ;
Ponnusamy, S ;
Wilm, M .
PROTEOMICS, 2003, 3 (08) :1597-1610
[9]
Mass spectrometric analysis of protein mixtures at low levels using cleavable 13C-isotope-coded affinity tag and multidimensional chromatography [J].
Hansen, KC ;
Schmitt-Ulms, G ;
Chalkley, RJ ;
Hirsch, J ;
Baldwin, MA ;
Burlingame, AL .
MOLECULAR & CELLULAR PROTEOMICS, 2003, 2 (05) :299-314
[10]
Robust prediction of the MASCOT score for an improved quality assessment in mass spectrometric proteomics [J].
Koenig, Thomas ;
Menze, Bjoern H. ;
Kirchner, Marc ;
Monigatti, Flavio ;
Parker, Kenneth C. ;
Patterson, Thomas ;
Steen, Judith Jebanathirajah ;
Hamprecht, Fred A. ;
Steen, Hanno .
JOURNAL OF PROTEOME RESEARCH, 2008, 7 (09) :3708-3717