Integrated Post-Experiment Monoisotopic Mass Refinement: An Integrated Approach to Accurately Assign Monoisotopic Precursor Masses to Tandem Mass Spectrometric Data
Integrated Post-Experiment Monoisotopic Mass Refinement: An Integrated Approach to Accurately Assign Monoisotopic Precursor Masses to Tandem Mass Spectrometric Data
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DOI：
10.1021/ac101388b
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发表时间：
2010-10-15
影响因子：
7.4
通讯作者：
Lee, Sang-Won
中科院分区：
文献类型：
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作者：
Jung, Hee-Jung;Purvine, Samuel O.;Lee, Sang-Won
在基于质谱的蛋白质组学中，将单一同位素前体质量准确分配到串联质谱（MS/MS）数据是成功鉴定肽的基本且至关重要的步骤。在这里，我们描述了一个综合的方法，结合了三个以前报道的方法处理MS/MS数据的前体质量细化。这种组合方法，“综合实验后单一同位素质量精修”（iPE-MMR），整合了以下步骤：（1）通过DeconMSn生成精修的MS/MS数据;（2）通过修改后的PE-MMR对所得MS/MS数据进行额外精修;以及（3）使用DtaRefinery消除前体质量的系统误差。iPE-MMR是第一种在MS扫描中利用来自包括多个电荷状态的前体离子的多次MS扫描的所有MS信息来确定前体质量的方法。通过这些方法的组合，iPE-MMR提高了肽鉴定的灵敏度，并在应用于复杂的高通量蛋白质组学数据时提高了准确性。
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.