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Mass spectra of heterocyclic compounds. II ‐Hexahydro‐1,3,5,‐triazines
Author(s) -
Corral Renée A.,
Orazi Orfeo O.
Publication year - 1976
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.1210111202
Subject(s) - mass spectrum , fragmentation (computing) , metastability , chemistry , deuterium , ion , aryl , alkyl , polyatomic ion , mass spectrometry , spectral line , high mass , medicinal chemistry , stereochemistry , organic chemistry , physics , atomic physics , operating system , chromatography , astronomy , astrophysics , computer science
The twelve tri‐N‐sulphonylhexahydro‐1,3,5‐triazines (R = alkyl or aryl) exhibit a common fragmentation pattern; most of the fragments are directly or indirectly generated from the [M RSO 2 ] + ion. Tri‐N‐Benzylsulphonylhexahydro‐1,3,5‐triazine (R = PhCH 2 ) departs from the others mainly because the key ion [M RSO 2 ] + suffers a skeletal rearrangement with loss of SO 2 . The rationalizations presented are supported by metastable evidence, accurate mass measurements and deuterium labelling.