COMPUTER-AIDED INTERPRETATION OF MASS SPECTRA

被引：41

作者：

VENKATAR.R

MCLAFFER.FW

VANLEAR, GE

机构：

[1] Department of Chemistry, Purdue University, Lafayette, Indiana

[2] Department of Chemistry, Cornell University, Ithaca, New York

来源：

ORGANIC MASS SPECTROMETRY | 1969年 / 2卷 / 01期

关键词：

D O I：

10.1002/oms.1210020102

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

A system is described in which computer techniques are used to carry out major steps in the procedure for interpretation of high‐resolution mass spectral data. These steps include identification and evaluation of the molecular ion, neutral fragments lost from the molecular ion, and characteristic ion series, followed by elucidation of specific structural details using a sub‐routine for the particular compound class selected. The technique shows promise of not only increasing the interpreter's efficiency, but of providing more specific and detailed structural information from the spectral data. Copyright © 1969 John Wiley & Sons, Ltd.

引用

页码：1 / &

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