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Stereochemical effects in the electron impact mass spectra of cis‐trans isomeric 1,2,3,4‐tetramethylcyclohexanes
Author(s) -
Herzschuh R.,
Werner H.,
Mann G.
Publication year - 1981
Publication title -
organic mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0030-493X
DOI - 10.1002/oms.1210161208
Subject(s) - mass spectrum , cyclohexane , fragmentation (computing) , chemistry , electron ionization , deuterium , spectral line , cis–trans isomerism , ring (chemistry) , mass spectrometry , medicinal chemistry , stereochemistry , ion , organic chemistry , ionization , physics , atomic physics , chromatography , astronomy , computer science , operating system
Abstract The mass spectra of six cis‐trans isomeric 1,2,3,4‐tetramethylcyclohexanes are discussed. The intensity ratio of [MCH 3 ] + /[MC 2 H 5 ] + correlates with the strain energies of the stereoisomers. Therefore, the identification of cis‐trans isomers is possible by means of their mass spectra. The mass spectra of deuterium labelled compounds demonstrate favoured fragmentation of the axial methyl groups and ring opening between the cis substituted carbon atoms of the cyclohexane.