红外光谱信息管理系统  

Infrared Spectrum Information System

作　　者：谢狄霖[1] 李勇波 陈忠[3] 

机构地区：[1]福建省医学科学研究所,福建福州350001 [2]福建省地质测绘院,福建福州350001 [3]厦门大学化学系,福建厦门361005

出　　处：《光谱仪器与分析》2005年第2期53-55,共3页

摘　　要：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 syste...

关 键 词：红外光谱 核磁共振谱 数据库 

分 类 号：O657.33[理学—分析化学]