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Accurate LC Peak Boundary Detection for 16O/18O Labeled LC-MS Data

Author

Listed:
  • Jian Cui
  • Konstantinos Petritis
  • Tony Tegeler
  • Brianne Petritis
  • Xuepo Ma
  • Yufang Jin
  • Shou-Jiang (SJ) Gao
  • Jianqiu (Michelle) Zhang

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.

Suggested Citation

  • Jian Cui & Konstantinos Petritis & Tony Tegeler & Brianne Petritis & Xuepo Ma & Yufang Jin & Shou-Jiang (SJ) Gao & Jianqiu (Michelle) Zhang, 2013. "Accurate LC Peak Boundary Detection for 16O/18O Labeled LC-MS Data," PLOS ONE, Public Library of Science, vol. 8(10), pages 1-10, October.
    • Handle: RePEc:plo:pone00:0072951
    DOI: 10.1371/journal.pone.0072951
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