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Doubly charged ion mass spectra: III— N ‐alkanes
Author(s) -
Jones B. E.,
Abbey L. E.,
Chatham H. L.,
Hanner A. W.,
Teleshefsky L. A.,
Burgess E. M.,
Moran T. F.
Publication year - 1982
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.1210170103
Subject(s) - ion , mass spectrum , spectral line , chemistry , mass spectrometry , analytical chemistry (journal) , atomic physics , physics , organic chemistry , chromatography , astronomy
Doubly charged ion mass spectra have been obtained for 15 n ‐alkane hydrocarbons. Spectra were measured using a Nier‐Johnson geometry Hitachi RMU‐7L mass spectrometer operated at 1.6kV accelerating voltage. Fragment ions, which resulted from CC bond rupture and extensive H loss, dominated the spectra. Molecular ions have not been observed. The most intense ions in the doubly charged ion mass spectra of n ‐alkanes were [C 2 H 4 ] 2+ , [C 3 H 2 ] 2+ , [C 4 H 3 ] 2+ , [C 5 H 2 ] 2+ , [C 6 H 6 ] 2+ , [C 6 H 8 ] 2+ , [C 7 H 6 ] 2+ , [C 7 H 8 ] 2+ , [C 8 H 6 ] 2+ and [C 8 H 8 ] 2+ . Appearance energies for forming the prominent doubly charged fragment ions have been measured and range from 27.5 eV to energies greater than 60eV. A geometry optimized SCF approach has been used to compute the energies and structures of prominent ions in the doubly charged mass spectra.