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The mass spectra of some pyrazole compounds
Author(s) -
van Thuijl J.,
Klebe K. J.,
van Houte J. J.
Publication year - 1970
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.1210031213
Subject(s) - substituent , pyrazole , fragmentation (computing) , metastability , chemistry , mass spectrum , nitrogen , molecule , ion , cleavage (geology) , spectral line , hydrogen , hydrogen bond , photochemistry , crystallography , medicinal chemistry , computational chemistry , organic chemistry , materials science , physics , astronomy , fracture (geology) , computer science , composite material , operating system
The mass spectra of ten pyrazole compounds have been determined. Fragmentation schemes have been derived by means of the metastable defocusing method. The predominant process is cleavage of the nitrogen‐nitrogen bond resulting in expulsion of HCN. The process second in prominence is the loss of a nitrogen molecule after initial removal of a hydrogen radical or a substituent, giving the species [C 3 H 2 R] + , probably a cyclopropenyl ion. In general, the fragmentation pattern is strongly influenced by the substituent.