Accurate LC peak boundary detection for ¹⁶O/¹⁸O labeled LC-MS data

PLoS One. 2013 Oct 7;8(10):e72951. doi: 10.1371/journal.pone.0072951. eCollection 2013.

Abstract

In liquid chromatography-mass spectrometry (LC-MS), parts of LC peaks are often corrupted by their co-eluting peptides, which results in increased quantification variance. In this paper, we propose to apply accurate LC peak boundary detection to remove the corrupted part of LC peaks. Accurate LC peak boundary detection is achieved by checking the consistency of intensity patterns within peptide elution time ranges. In addition, we remove peptides with erroneous mass assignment through model fitness check, which compares observed intensity patterns to theoretically constructed ones. The proposed algorithm can significantly improve the accuracy and precision of peptide ratio measurements.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Algorithms
  • Chromatography, Liquid / methods*
  • Mass Spectrometry / methods*
  • Peptides / analysis*

Substances

  • Peptides