Infrared Spectrum Information System
本文介绍了光谱数据库系统的程序设计思想和技术关键。数据库系统包含纯化合物红外光谱约9万张,高聚物红外光谱1.2万张,药品红外光谱1千张,以及核磁共振谱10万多张。可以按光谱编号、化学名、商品名、原子数、分子式进行查询,还能根据未知物光谱图的谱峰形状进行检索。结果得到未知化合物的相关信息及其标准谱图。The infrared spectra of pure compounds of more than ten thousand and nuclear magnetic resonance spectra of compounds of more than ten thousand were included in the data bank. All of them can be searched out according to their serial number, chemical name, commercial name, amount of each atoms, or molecular formula, as well as their spectrum peak appearances. Program for spectrum information inputting, program for spectrum information search and program for spectrum peak-peak match were included in the system; in addition, spectrum information data bank, spectrum peak code data bank and spectrum figure data bank were attached to the system. System program was written by Visial Basic, and run under Windows system. The spectrum information data bank and spectrum figure data bank were administrated by Microsoft Access.