【摘要】 本文提出对黄酮类化合物实行结构解析的智能型计算机程序,它模拟化学工作者进行结构解析的思维过程,对待测化合物的光谱数据进行分析和处理,最后给出可能的结构式。程序共分四个程序块,即紫外、质谱、分子式和检索程序块,具有初步的智能效果。更多还原

【Abstract】 A computer program named SEFP was designed with BASIC language on APPLE Ⅱmicrocomputer for structure elucidation of flavonoids.It has three major function:struc-tural elucidation with UV and MS spectral data,determination molecular formula with rel-ative intensity of M,M+1 and M+2 ion peaks in MS,indexation of flavonoids with formu-la chemical name and melting point.The character of SEFP lies on it’s ability to imitate thethinking process of an experience phytochemists on structure determintion of flavonoids.Such an imitation is just the basic of our primary endevor to develop the application ofcomputer in the field of natural products chemistry.更多还原