Data reduction of isotope-resolved LC-MS spectra

Peicheng Du, Rajagopalan Sudha, Michael B. Prystowsky, Ruth Hogue Angeletti

Research output: Contribution to journalArticle

23 Citations (Scopus)

Abstract

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. LCMS-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.

Original languageEnglish (US)
Pages (from-to)1394-1400
Number of pages7
JournalBioinformatics
Volume23
Issue number11
DOIs
StatePublished - Jun 2007

Fingerprint

Data Reduction
Liquid chromatography
Mass Spectrometry
Chromatography
Liquid Chromatography
Isotopes
Mass spectrometry
Data reduction
Liquid
Noise
Noise Removal
Proteomics
Variable Selection
Peptides
Overlap
Baseline
Software

ASJC Scopus subject areas

  • Clinical Biochemistry
  • Computer Science Applications
  • Computational Theory and Mathematics

Cite this

Data reduction of isotope-resolved LC-MS spectra. / Du, Peicheng; Sudha, Rajagopalan; Prystowsky, Michael B.; Angeletti, Ruth Hogue.

In: Bioinformatics, Vol. 23, No. 11, 06.2007, p. 1394-1400.

Research output: Contribution to journalArticle

Du, Peicheng ; Sudha, Rajagopalan ; Prystowsky, Michael B. ; Angeletti, Ruth Hogue. / Data reduction of isotope-resolved LC-MS spectra. In: Bioinformatics. 2007 ; Vol. 23, No. 11. pp. 1394-1400.
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