Isotope pattern vector based tandem mass spectral data calibration for improved peptide and protein identification

doi:10.1002/rcm.4272

	Isotope pattern vector based tandem mass spectral data calibration for improved peptide and protein identification
	Zhang, Jingfen ; Xu, Dong 2; Gao, Wen 3; Lin, Guohui 1; He, Simin 3
	2009-11-01
发表期刊	RAPID COMMUNICATIONS IN MASS SPECTROMETRY
ISSN	0951-4198
卷号	23 期号:21 页码:3448-3456
摘要	Tandem mass spectra contain noisy peaks which make peak picking for peptide identification difficult. Moreover, all spectral peaks can be shifted due to systematic measurement errors. In this paper, a novel use of an isotope pattern vector (IPV) is proposed for denoising and systematic measurement error prediction. By matching the experimental IPVs with the theoretical IPVs of candidate fragment ions, true ionic peaks can be identified. Furthermore, these identified experimental IPVs and their corresponding theoretical IPVs are used in an optimization process to predict the systematic measurement error associated with the target spectrum. In return, the subsequent spectral data calibration based on the predicted systematic measurement error enhances the data quality. We show that such an integrated denoising and calibration process leads to significantly improved peptide and protein identification. Different from the commonly employed chemical calibration methods, our IPV-based method is a purely computational method for individual spectra analysis and globally optimizes the use of spectral data. Copyright (C) 2009 John Wiley & Sons, Ltd.
DOI	10.1002/rcm.4272
收录类别	SCI
语种	英语
资助项目	MU-Monsanto Program ; NSF[NSF/ITRIIS-0407204] ; NSERC ; National Key Basic Research and Development Program (973)[2002CB713807] ; National High Technology Research and Development Program (863)[2007AA02Z315] ; National High Technology Research and Development Program (863)[2007AA02Z326]
WOS研究方向	Chemistry ; Spectroscopy
WOS类目	Chemistry, Analytical ; Spectroscopy
WOS记录号	WOS:000271431500012
出版者	JOHN WILEY & SONS LTD
引用统计	被引频次：3[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://119.78.100.204/handle/2XEOYT63/11940
专题	中国科学院计算技术研究所期刊论文_英文
通讯作者	Lin, Guohui
作者单位	1.Univ Alberta, Dept Comp Sci, Edmonton, AB T6G 2E8, Canada 2.Univ Missouri, Dept Comp Sci, Columbia, MO 65211 USA 3.Chinese Acad Sci, Inst Comp Technol, Beijing 100080, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Jingfen,Xu, Dong,Gao, Wen,et al. Isotope pattern vector based tandem mass spectral data calibration for improved peptide and protein identification[J]. RAPID COMMUNICATIONS IN MASS SPECTROMETRY,2009,23(21):3448-3456.
APA	Zhang, Jingfen,Xu, Dong,Gao, Wen,Lin, Guohui,&He, Simin.(2009).Isotope pattern vector based tandem mass spectral data calibration for improved peptide and protein identification.RAPID COMMUNICATIONS IN MASS SPECTROMETRY,23(21),3448-3456.
MLA	Zhang, Jingfen,et al."Isotope pattern vector based tandem mass spectral data calibration for improved peptide and protein identification".RAPID COMMUNICATIONS IN MASS SPECTROMETRY 23.21(2009):3448-3456.