Premium
Electron impact‐induced fragmentation of 2,3‐dihydro‐1,5‐benzothiazepin‐4(5 H )‐ones
Author(s) -
Pócsfalvi Gabriella,
Lévai Albert,
Dinya Zoltán,
Somogyi Árpád,
Vékey Károly
Publication year - 1994
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.1210290607
Subject(s) - fragmentation (computing) , electron ionization , metastability , dissociation (chemistry) , kinetic energy , ion , chemistry , ring (chemistry) , collision induced dissociation , electron , spectroscopy , molecular orbital , mass spectrometry , atomic physics , computational chemistry , physics , molecule , organic chemistry , tandem mass spectrometry , nuclear physics , computer science , chromatography , quantum mechanics , ionization , operating system
The electron impact‐induced fragmentations of 2,3‐dihydro‐1,5‐benzothiazepin‐4(5 H )‐ones and some related compounds were investigated. On the basis of low‐ and high‐resolution measurements, metastable ion studies by means of mass‐analysed ion kinetic energy spectroscopy and collision‐induced dissociation experiments, the main fragmentation pathways were established. The effect of methyl and phenyl substituents at the C(2) and C(3) positions of the heterocyclic ring on the fragmentations was also studied. The (1,3) ring splitting was investigated in some detail, using semi‐empirical molecular orbital calculations.