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Structure and fragmentation mechanism of [C 3 H 7 S] + ions
Author(s) -
Broer W. J.,
Weringa W. D.
Publication year - 1977
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.1210120514
Subject(s) - fragmentation (computing) , ion , chemistry , molecule , metastability , moiety , hydrogen , stereochemistry , crystallography , organic chemistry , computer science , operating system
From a comparison of the metastable ion bundance ratios for loss of C 2 H 4 and H 2 S from [C 3 H 7 S] + ions in a series of alkyl thio ethers and thiols it was concluded that in most compunds these ion s isomerize to a common structure prior to decomposition in the first field free region. The mechanism for C 2 H 4 loss from the [C 3 H 7 S] + ion gen erated from CH 3 SCH 2 CH 3 was investigated in detail using 13 C and 2 H labelling. A rearrangement with formation of a cyclic intermediate prior to the decompistion reaction is proposed. The fragmentation is preceded by extensive hydrogen scrabling. The carbon atoms of the expelled C 2 H 4 molecule are those of the CH 2 CH 3 moiety.