碳氢化合物质谱的计算机解释
A Computer Program for Mass Spectral Interpretation of Hydrocarbons
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摘要: 本文用谱库检索和智能解释程序相串联鉴定碳氢化合物。谱库检索应用新的正、反检结合型原理建成。智能解释程序,应用从大约2000个烃类化合物质谱提取的结构-谱图联系规律,解释质谱推导分子结构。Abstract: A series program which consists of a liberary search and an intelligence interpretation program was developed for hydrocarbon identification. The liberary search program uses a new combined forward and reverse search principle. The intelligence program infers molecular structure of hydrocarbon using spectrum-structure correlation rules inferred from about 2000 reference spectra of hydrocarbons.