Mass spectrometry of heterocyclic compounds—II: Electron-impact induced fragmentation of 3,5-diphenyl-1,2,4-oxadiazole

Autor:	L. F. Zerilli, Antonio Selva, Gian Gualberto Gallo, B. Cavalleri
Rok vydání:	1972
Předmět:	Analytical chemistry Oxide Oxadiazole Mass spectrometry Biochemistry Ion Benzonitrile chemistry.chemical_compound Crystallography chemistry Fragmentation (mass spectrometry) Molecular Medicine Instrumentation Phenylisocyanate Spectroscopy Electron ionization
Zdroj:	Organic Mass Spectrometry. 6:1347-1351
ISSN:	1096-9888 0030-493X
DOI:	10.1002/oms.1210061209
Popis:	The electron-impact induced fragmentation of 3,5-diphenyl-1,2,4-oxadiazole has been investigated by labelling experiments, defocused metastable ion detections and high resolution mass measurements. The main fragmentation process suggests heterocyclic cleavage at the 1 to 5 and 3 to 4 bonds confirming our previous interpretation. The structure of the major fragment ion [C7H5NO]+· has been interpreted as being represented by the isomeric benzonitrile oxide and phenylisocyanate structures, the latter isomerising irreversibly from the former. The benzonitrile oxide structure is consistent with [C7H5NO]+· formation by cleavage of the 1 to 5 and 3 to 4 bonds.
Databáze:	OpenAIRE
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