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The chemistry of hexahydro‐1,2,4,5‐tetrazines—II: Mass spectra of 1,4‐dialkylhexahydro‐1,2,4,5‐tetrazines and 1,4‐dialkyl‐2,5‐diacylhexahydro‐1,2,4,5‐tetrazines
Author(s) -
Hammerum Steen,
Møller Jørgen
Publication year - 1971
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.1210051010
Subject(s) - mass spectrum , chemistry , ion , metastability , mass spectrometry , bond cleavage , ring (chemistry) , formaldehyde , mass , spectral line , high resolution , computational chemistry , organic chemistry , catalysis , physics , remote sensing , chromatography , astronomy , geology
The mass spectra of twenty‐eight 1,4‐dialkylhexahydro‐1,2,4,5‐tetrazines and 1,4‐dialkyl‐2,5‐diacylhexahydro‐1,2,4,5‐tetrazines (1) have been recorded and interpreted with the aid of deu‐terium labelling, high resolution measurements, and the metastable defocusing technique. The principal fragmentations involve initial scission of ring bonds, particularly C‐N bonds, leading to characteristic ions of mass M/2 and M/2± 1, and to 2,3‐diaza‐1,3‐butadienyl ions (II). In the spectra of acylated compounds, acyl migration occurs within the molecular ion. The elimination of formaldehyde from the principal fragment ion is discussed.