Muhammad Warees T, Tabb David L, Fox Karen F, Fox Alvin
Department of Pathology and Microbiology, University of South Carolina School of Medicine, Columbia, SC 29209, USA.
Rapid Commun Mass Spectrom. 2003;17(24):2755-62. doi: 10.1002/rcm.1262.
A computer-based method is described for automated detection of peaks in product ion spectra that allows discrimination of structurally related polymerase chain reaction (PCR) products. PCR products of K-ras mutants having single nucleotide substitutions and isomeric sequence changes in positions 1 and 2 of codon 12 (e.g. TGT and GTT) were used as a model system. SpecDiff, a tool for differentiating pairs of mass spectra by identifying peaks that either differ in relative intensity between spectra or only appear in one of a pair of spectra, was created to help automate detection. This program was demonstrated to have great utility in detection of mutations and could also be useful as a general tool for differentiating other molecules of closely related structure.
描述了一种基于计算机的方法,用于自动检测产物离子光谱中的峰,该方法能够区分结构相关的聚合酶链反应(PCR)产物。具有密码子12第1和第2位单核苷酸取代和异构序列变化(例如TGT和GTT)的K-ras突变体的PCR产物被用作模型系统。SpecDiff是一种通过识别光谱之间相对强度不同或仅出现在一对光谱中的一个光谱中的峰来区分质谱对的工具,旨在帮助实现自动检测。该程序在突变检测中具有很大的实用性,也可作为区分其他结构密切相关分子的通用工具。