Introduction

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.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.The software LCMS-2D is available under the GNU general public license from http://www.bioc.aecom.yu.edu/labs/angellab/as a standalone C program running on LINUX.

Publications

  1. Data reduction of isotope-resolved LC-MS spectra.
    Cite this
    Du P, Sudha R, Prystowsky MB, Angeletti RH, 2007-06-01 - Bioinformatics (Oxford, England)

Credits

  1. Peicheng Du
    Developer

    Albert Einstein College of Medicine, Bronx

  2. Rajagopalan Sudha
    Developer

  3. Michael B Prystowsky
    Developer

  4. Ruth Hogue Angeletti
    Investigator

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Summary
AccessionBT006383
Tool TypeApplication
Category
PlatformsLinux/Unix
TechnologiesC
User InterfaceTerminal Command Line
Download Count0
Submitted ByRuth Hogue Angeletti