公开(公告)号：KR100789430B1

公开(公告)日：2007-12-28

申请号：KR1020070013405

申请日：2007-02-08

Applicant: 재단법인서울대학교산학협력재단 ,  서울시립대학교 산학협력단

Inventor： 박근수 ,  윤주영 ,  이선호 ,  백은옥 ,  박희진 ,  이상원

IPC: G01N30/72

CPC classification number: H01J49/0036 ,  G06F19/24 ,  G01N33/6848 ,  G06F19/16

Abstract: A method for determining monoisotopic masses by determining isotopic clusters is provided to ensure a high accuracy and high processing speed in determining the position of a real monoisotopic peak even when a polypeptide mixture has a composition away from a general amino acid composition, and complex peaks of isotopic clusters appear in the mass spectrum. A method for determining possibility models of isotopic clusters for determining monoisotopic masses of isotopic clusters comprises the steps of: approximating each peak intensity (Ik), ratio of two peak intensities(Ik+1/Ik) and multiplication of two ratios(Ik-1Ik_1/I^2) obtained from three peaks in the isotopic clusters to a possibility formula; and calculating the highest, lowest and average functions(Rmax(k, M), Rmin(k, M), Ravg(k, M)) of the k^th ratio of a polypeptide with a mass of M, and the highest, lowest and average functions (RPmin(k, M), RPmax(k, M), RPavg(k, M)) of the multiplication of the k^th ratio of the polypeptide with a mass of M by using the possibility formula.

Abstract translation: 提供了通过确定同位素簇来确定单同位素质量的方法，以确保即使当多肽混合物具有远离一般氨基酸组成的组成时，确定真实单同位素峰的位置的高精度和高处理速度， 同位素簇出现在质谱中。 用于确定用于确定同位素簇的同位素质量的同位素簇的可能性模型的方法包括以下步骤：近似每个峰强度（Ik），两个峰值强度（Ik + 1 / Ik）的比率和两个比率（Ik-1Ik_1 / I ^ 2）从同位素簇中的三个峰获得到可能性公式; 并且计算质量为M的多肽的k ^比的最高，最低和平均函数（Rmax（k，M），Rmin（k，M），Ravg（k，M））， 通过使用可能性公式，使多肽与质量M的k ^比的乘积的最小和平均函数（RPmin（k，M），RPmax（k，M），RPavg（k，M））。