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

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 pea...

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Detalles Bibliográficos
Autores principales: Cui, Jian, Petritis, Konstantinos, Tegeler, Tony, Petritis, Brianne, Ma, Xuepo, Jin, Yufang, Gao, Shou-Jiang (SJ), Zhang, Jianqiu (Michelle)
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2013
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3792097/
https://www.ncbi.nlm.nih.gov/pubmed/24115998
http://dx.doi.org/10.1371/journal.pone.0072951
Descripción
Sumario: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.

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