Jung, Hee-Jung Purvine, Samuel O. Kim, Hokeun Petyuk, Vladislav A. Hyung, Seok-Won Monroe, Matthew E. Mun, Dong-Gi Kim, Kyong-Chul Park, Jong-Moon Kim, Su-Jin Tolic, Nikola Slysz, Gordon W. Moore, Ronald J. Zhao, Rui Adkins, Joshua N. Anderson, Gordon A. Lee, Hookeun Camp, David G., II Yu, Myeong-Hee Smith, Richard D. Lee, Sang-Won 2024-01-20T18:31:03Z 2024-01-20T18:31:03Z 2021-09-05 2010-10-15 0003-2700 https://pubs.kist.re.kr/handle/201004/130998 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. English AMER CHEMICAL SOC PEPTIDE IDENTIFICATION RATES PROTEIN IDENTIFICATIONS PROTEOMIC ANALYSES HIGH-THROUGHPUT SOFTWARE TOOL SPECTRA DEAMIDATION ELIMINATION ALGORITHM ERRORS Integrated Post-Experiment Monoisotopic Mass Refinement: An Integrated Approach to Accurately Assign Monoisotopic Precursor Masses to Tandem Mass Spectrometric Data Article 10.1021/ac101388b 1 ANALYTICAL CHEMISTRY, v.82, no.20, pp.8510 - 8518 ANALYTICAL CHEMISTRY 82 20 8510 8518 scie scopus 000282859100022 2-s2.0-77958028537 Chemistry, Analytical Chemistry Article PEPTIDE IDENTIFICATION RATES PROTEIN IDENTIFICATIONS PROTEOMIC ANALYSES HIGH-THROUGHPUT SOFTWARE TOOL SPECTRA DEAMIDATION ELIMINATION ALGORITHM ERRORS