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    Method for determining isotopic clusters and monoisotopic masses of polypeptides on mass spectra of complex polypeptide mixtures and computer-readable medium thereof
    1.
    发明授权
    Method for determining isotopic clusters and monoisotopic masses of polypeptides on mass spectra of complex polypeptide mixtures and computer-readable medium thereof 有权
    用于在复合多肽混合物的质谱上测定多肽的同位素簇和单同位物质的方法及其计算机可读介质

    公开(公告)号：US08321153B2

    公开(公告)日：2012-11-27

    申请号：US12526607

    申请日：2007-12-28

    申请人： Kun Soo Park ,  Joo Young Yoon ,  Sun Ho Lee ,  Eun Ok Paek ,  Hee Jin Park ,  Sang Won Lee

    发明人： Kun Soo Park ,  Joo Young Yoon ,  Sun Ho Lee ,  Eun Ok Paek ,  Hee Jin Park ,  Sang Won Lee

    IPC分类号： G01N33/48 ,  G01N33/50 ,  G01N31/00 ,  C12Q1/00

    CPC分类号： H01J49/0036

    摘要： Disclosed herein is a method of finding an isotopic cluster in a polypeptide and determining the monoisotopic mass of the cluster. The method comprises an algorithm for finding an isotopic cluster based on a probabilistic model, defined by each of peaks in the isotopic cluster, and determining the monoisotopic mass of the isotopic cluster. The probabilistic model of the isotopic cluster includes characteristic functions for mass, that is, a function of the ratio of two peak intensities, and a function of the product of two ratios obtained from three peaks. These characteristic functions for mass define the shape of peaks acceptable in an actual isotopic cluster for the mass of any isotopic cluster. The algorithm of finding the isotopic cluster based on the functions uses the characteristics to score the degree of the approximation of any isotopic cluster to the spectral shape of a theoretical cluster.

    摘要翻译： 本文公开了一种在多肽中发现同位素簇并确定簇的单同位素质量的方法。 该方法包括基于由同位素簇中的每个峰定义的概率模型以及确定同位素簇的单同位素质量来找到同位素簇的算法。 同位素簇的概率模型包括质量的特征函数，即两个峰值强度的比值的函数，以及从三个峰值得到的两个比值的乘积的函数。 质量的这些特征函数定义了任何同位素簇的质量在实际同位素簇中可接受的峰的形状。 基于该函数找到同位素簇的算法使用特征来将任何同位素簇的近似程度评估为理论簇的光谱形状。