Accurate LC peak boundary detection for ¹⁶O/¹⁸O labeled LC-MS data.
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- Record sourced from PubMed, PMID 24115998.
- Also identified by DOI 10.1371/journal.pone.0072951 and PMC identifier PMC2815189.
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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.