title: Accurate LC peak boundary detection for ¹⁶O/¹⁸O labeled LC-MS data.
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.
authors.affiliation: Department of Electrical Engineering, University of Texas at San Antonio, San Antonio, Texas, United States of America.
authors.forename: Jian
authors.initials: J
authors.lastname: Cui
authors.forename: Konstantinos
authors.initials: K
authors.lastname: Petritis
authors.forename: Tony
authors.initials: T
authors.lastname: Tegeler
authors.forename: Brianne
authors.initials: B
authors.lastname: Petritis
authors.forename: Xuepo
authors.initials: X
authors.lastname: Ma
authors.forename: Yufang
authors.initials: Y
authors.lastname: Jin
authors.forename: Shou-Jiang S J
authors.initials: SJ
authors.lastname: Gao
authors.forename: Jianqiu Michelle
authors.initials: JM
authors.lastname: Zhang
mesh_terms: D000465:Algorithms; D002853:Chromatography, Liquid / Q000379:methods*; D013058:Mass Spectrometry / Q000379:methods*; D010455:Peptides / Q000032:analysis*
chemical_list: D010455:Peptides