2010•Analytical ChemistryOpen access
Integrated Post-Experiment Monoisotopic Mass Refinement: An Integrated Approach to Accurately Assign Monoisotopic Precursor Masses to Tandem Mass Spectrometric Data
Hee-Jung Jung, Samuel Purvine, Hokeun Kim, Vladislav Petyuk, Seok‐Won Hyung, Matthew Monroe, Dong‐Gi Mun, Kyong-Chul Kim, Jong‐Moon Park, Su‐Jin Kim, Nikola Tolić, Gordon Slysz, Ronald Moore, Rui Zhao, Joshua Adkins, Gordon Anderson, Hookeun Lee, David Camp, Myeong‐Hee Yu, Richard Smith, Sang‐Won Lee
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Abstract
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.