NMR碳谱谱峰检索系统  

A Searchable Database of ^(13)C NMR Spectra

作　　者：谢狄霖[1] 陈忠[2] 施伟巧 许勇波 

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),福建福州350001 [2]厦门大学化学系,福建厦门361005 [3]福建省地质测绘院,福建福州350001

出　　处：《波谱学杂志》2008年第1期128-132,共5页Chinese Journal of Magnetic Resonance

基　　金：卫生部福建卫生和教育联合重点项目资助(WKJ-2005-2-019)

摘　　要：介绍了核磁共振(NMR)碳谱谱峰检索系统的程序设计原理、系统流程框图、检索比较算法和主要显示界面.系统数据库包含化合物核磁共振碳谱4万多张,能够根据未知物13CNMR波谱的谱峰个数及其化学位移值进行检索.结果得到未知化合物的有关信息及其标准波谱图.系统还允许用户将本专业的一些常用化合物的标准谱的信息以及图谱添加进数据库以供日后查询.We built a searchable database of ^13C NMR spectra. More than 42 thousand ^13C NMR spectra of the compounds were included. With the total number of the peaks and chemical shifts of some peaks in the ^13C NMR spectrum as the input, the searching program can find out all relevant spectra as well as other related data of the compound of interest. The program also allows input and storage of spectra and other related information of user-defined compounds, which will be available for future inquisition. The system program was written by VB, and runs under Windows system. The compound information and spectra databases are administrated by Microsoft Access.

关 键 词：核磁共振 碳谱 谱峰 检索 

分 类 号：O482.53[理学—固体物理]