Data reduction of isotope-resolved LC-MS spectra

被引：20

作者：

Du, Peicheng ^{[1
]}

Sudha, Rajagopalan ^{[1
]}

Prystowsky, Michael B. ^{[1
]}

Angeletti, Ruth Hogue ^{[1
]}

机构：

[1] Albert Einstein Coll Med, Bronx, NY 10461 USA

来源：

BIOINFORMATICS | 2007年 / 23卷 / 11期

关键词：

D O I：

10.1093/bioinformatics/btm083

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

Motivation: Data reduction of liquid chromatography-mass spectrometry (LC-MS) spectra can be a challenge due to the inherent complexity of biological samples, noise and non-flat baseline. We present a new algorithm, LCMS-2D, for reliable data reduction of LC-MS proteomics data. Results: LCMS-2D can reliably reduce LC-MS spectra with multiple scans to a list of elution peaks, and subsequently to a list of peptide masses. It is capable of noise removal, and deconvoluting peaks that overlap in m/z, in retention time, or both, by using a novel iterative peak-picking step, a 'rescue' step, and a modified variable selection method. LGMS-2D performs well with three sets of annotated LC-MS spectra, yielding results that are better than those from PepList, msInspect and the vendor software BioAnalyst.

引用

页码：1394 / 1400

页数：7

共 20 条

[1] A suite of algorithms for the comprehensive analysis of complex protein mixtures using high-resolution LC-MS [J].