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The loss of water from ionized heptanols in the gas phase
Author(s) -
Haib J.,
Stahl D.
Publication year - 1990
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.1210251106
Subject(s) - ion , chemistry , deuterium , ionization , hydrogen , gas phase , electron ionization , atom (system on chip) , hydrogen atom , carbon fibers , ionization energy , analytical chemistry (journal) , atomic physics , materials science , organic chemistry , physics , alkyl , composite number , computer science , embedded system , composite material
The mechanism of water loss from the 1‐beptanol molecular ion was studied by using a set of deuterium 1‐heptanols labelled at each position of the chain. The carbon‐bound hydrogen atom lost in the water comes mainly from C(4) (69%) but also from C(2) and C(3) (10 and 13%, respectively), and from C(5) and C(6) (5 and 4%, respectively). No measurable contribution by an H atom from C(7) and C(l) was found. The structure of the resulting [C 7 H 14 ] +· ion was studied by using the MIKE and CAD/MIKE techniques applied to unlabelled, and 2 H and 13 C labelled compounds and by ionization energy and appearance energy measurements. The results clearly indicate that at the onset of the reaction, the [C 7 H 14 ] +· ion formed has the propylcyclobutane structure. At 70 eV electron energy, the [C 7 H 14 ] +· ion formed is indistinguishable from molecular ions of heptenes.