光谱数据库软件系统  

Spectrum Data Bank Software System

作　　者：谢狄霖[1] 施伟巧 李勇波 林积荣[1] 陈忠[3] 

机构地区：[1]福建省医学测试重点实验室(福建省医学科学研究所),福州市五四路7号350001 [2]福建省地质测绘院,福州市350001 [3]厦门大学化学系,福建省厦门市361005

出　　处：《光谱实验室》2006年第1期118-122,共5页Chinese Journal of Spectroscopy Laboratory

基　　金：福建省自然科学基金(C0110024)资助项目;国家自然科学基金(20172042)资助项目

摘　　要：介绍了红外光谱及核磁共振波谱信息库系统的设计方案和技术关键。系统数据库包含纯化合物红外光谱约9万多张,高聚物红外光谱1．2万张,药品红外光谱1千张,以及核磁共振氢谱6万多张．碳谱4万多张。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。This paper introduces a spectrum data bank software system including more than one hundred thousand infrared spectra and more than ten thousand of nuclear magnetic resonance spectra of pure compounds. The data banks can be searched according to their serial number ,chemical name, commercial name, amount of each atoms, or molecular formula, as well as their spectrum peals. appearances. Programs for spectrum information inputting ,spectrum information search and spectrum peak-peak match,and banks of spectrum information data, spectrum peak code data and spectrum figure data were attached to the system. System program was written by visual basic, and run under Windows system. The spectrum information data bank and spectrum figure data bank were administrated by Microsoft Access.

关 键 词：光谱 数据库 软件 

分 类 号：O657.33[理学—分析化学] O657.2[理学—化学]