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首页> 外文会议>2010 IEEE International Workshop on Medical Measurements and Applications Proceedings >Analysis of redundant peaks in LC-MS/MS datasets
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Analysis of redundant peaks in LC-MS/MS datasets

机译：LC-MS / MS数据集中的冗余峰分析

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摘要

LC-MS/MS is an analytical technique used for protein identification and biomarker discovery. Typically, each peptide will be measured twice by the MS/MS, resulting in two or more mass-to-charge spectra for each peptide. The current study investigates various ways to combine these replicate measurements to improve the quality of the measured spectra, and in turn, the confidence and accuracy of the protein identification. Sample data was collected using a QSTAR XL hybrid quadrupole-time-of-flight mass spectrometer, given a input standard protein mixture of known composition. Spectrum alignment is used to identify replicate spectra. Various algorithms for combining these replicate measurements are investigated, and are compared to the current industry standard MASCOT algorithm. Results are judged based on protein identification rates following combination of replicate spectra. Algorithms which leverage the fact that mass-to-charge data collected above the parent ion mass are more informative for protein identification appear particularly effective, and warrants further investigation.
机译：LC-MS / MS是一种用于蛋白质鉴定和生物标志物发现的分析技术。通常，每个肽段将通过MS / MS测量两次，从而导致每个肽段具有两个或更多的质荷比谱图。当前的研究调查了各种方法来组合这些重复的测量结果，以提高测量光谱的质量，进而提高蛋白质鉴定的可信度和准确性。给定已知成分的标准输入蛋白质混合物，使用QSTAR XL混合四极杆飞行时间质谱仪收集样品数据。光谱比对用于识别重复光谱。研究了用于组合这些重复测量的各种算法，并将其与当前行业标准MASCOT算法进行了比较。根据重复光谱结合后的蛋白质鉴定率判断结果。利用这样的算法，即在母体​​离子质量以上收集的质荷数据对蛋白质识别更有用的事实看来，该算法特别有效，值得进一步研究。

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