会话式质谱库检索系统与应用

Conversational Mass Spectral Search System and Its Application

  • 摘要: 本文介绍一种适合于在微型或小型计算机上工作的会话式质谱库检索系统,供质谱工作者参考使用。

     

    Abstract: This paper describes a conversational mass spectral search system which issuitable for microcomputer or minicomputer and runs on PDP-11/34A computer.It permits user to set up a special mass spectral library for various organiccompounds. The software consists of a library generation program and a lib-rary search program. These programs were written by PDP-11 FORTRANIV-PLUS language, and is easy to transfer to other computers. The librarygeneration program is used to produce a data file for simplified mass spectraand a index file for searching. In order to keep integrity of a library, theprogram was designed to have some additional functions, such as inserting,modifying, deleting, examining etc. The library search program used imme-diate and dual searching techniques and had seven pattens for searching. Thesearch system was applied to identify some special toxic and volatile compoundsin food, the results were satisfactory.

     

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