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Minicomputer Oriented Chemical Information System

 

作者: J. Zupan,   M. Penca,   M. Razinger,   B. Barlič,   D. Hadž,  

 

期刊: Analytical Letters  （Taylor Available online 1979）
卷期: Volume 12, issue 2  

页码: 109-114

 

ISSN:0003-2719

 

年代: 1979

 

DOI:10.1080/00032717908055685

 

出版商: Taylor & Francis Group

 

关键词: computer;information systems;spectrometry;infrared;mass spectrometry;C nuclear magnetic resonance spectrometry

 

数据来源: Taylor

 

摘要:

A combined chemical information system based on three different spectrometries, i. e. IR, MS and CNMR adapted for the minicomputer PDP 11/34 is described. The data base of the system consists of 1000 compounds each one being completely defined by the two dimensional structure image, WLN, chemical name, molecular formula and all three types of spectra (IR, MS and CNMR). The data file organization and system philosophy are described and discussed.

 

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