1H-NMR Database of Sugars for a Carbohydrate Chemist

T. Yoshino
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Abstract

An 1H-NMR database of sugars is made on a Macintosh computer by using a database software, File Maker pro developed by Claris Co. This database aims to assist individual carbohydrate chemists to file the necessary NMR data with references and to make most use of them for spectral identification of sugars of unknown structure. To achieve the above aims, several ideas are introduced : output data on screen or printer showing several layouts such as data-card in which NMR data are combined with chemical structure, sequential data-cards of three/six records on a single screen/page, data-table with the result of statistical calculations, etc. NMR data searched or sorted can be easily exported to other application softwares, for instance, to HNMR.BAS which has been developed by the author and runs on MS-DOS system to display NMR line-spectra of carbohydrates.
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为碳水化合物化学家准备的糖类1H-NMR数据库
使用Claris公司开发的数据库软件File Maker pro,在Macintosh计算机上建立了糖的1H-NMR数据库。该数据库旨在帮助碳水化合物化学家将必要的核磁共振数据与参考文献归档,并充分利用这些数据对未知结构的糖进行光谱鉴定。为了实现上述目标,介绍了几种思路:在屏幕或打印机上输出数据,显示几种布局,例如将核磁共振数据与化学结构结合在一起的数据卡,在单个屏幕/页面上显示3 / 6条记录的顺序数据卡,带有统计计算结果的数据表等。核磁共振数据搜索或排序可以很容易地导出到其他应用软件,例如,到HNMR。作者开发了一种在MS-DOS系统上显示碳水化合物核磁共振谱的BAS。
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