Integrated Post-Experiment Monoisotopic Mass Refinement: An Integrated Approach to Accurately Assign Monoisotopic Precursor Masses to Tandem Mass Spectrometric Data

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• 作者：Hee-Jung Jung ; Samuel O. Purvine ; Hokeun Kim ; Vladislav A. Petyuk ; Seok-Won Hyung ; Matthew E. Monroe ; Dong-Gi Mun ; Kyong-Chul Kim ; Jong-Moon Park ; Su-Jin Kim ; Nikola Tolic ; Gordon W. Slysz ; Ronald J.
• 刊名：Analytical Chemistry
• 出版年：2010
• 出版时间：October 15, 2010
• 年：2010
• 卷：82
• 期：20
• 页码：8510-8518
• 全文大小：424K
• 年卷期：v.82,no.20(October 15, 2010)
• ISSN：1520-6882

文摘

Accurate assignment of monoisotopic precursor masses to tandem mass spectrometric (MS/MS) data is a fundamental and critically important step for successful peptide identifications in mass spectrometry based proteomics. Here we describe an integrated approach that combines three previously reported methods of treating MS/MS data for precursor mass refinement. This combined method, “integrated post-experiment monoisotopic mass refinement” (iPE-MMR), integrates steps (1) generation of refined MS/MS data by DeconMSn; (2) additional refinement of the resultant MS/MS data by a modified version of PE-MMR; and (3) elimination of systematic errors of precursor masses using DtaRefinery. iPE-MMR is the first method that utilizes all MS information from multiple MS scans of a precursor ion including multiple charge states, in an MS scan, to determine precursor mass. With the combination of these methods, iPE-MMR increases sensitivity in peptide identification and provides increased accuracy when applied to complex high-throughput proteomics data.