The Fragmentation of the Ions of Nonan-4-One: A Study by Triple Quadrupole Mass Spectrometry.
Abstract
The fragmentation of the ions of the compound nonan-4-one were studied in detail with low-energy collision-induced dissoiciation (CID) in a triple quadrupole mass spectrometer. Ions of the sample molecule created in an EI source are mass selected by a quadrupole mass filter, dissociated by low-energy collision with neutral molecules in a quadrupole collison chamber, and the dissociation products are mass-selected by a second quadrupole mass analyzer. The normal EI mass spectrum of nonan-4-one shows 47 fragment ions. A fragmentation spectrum is obtained for each of the ions from the EI source. The result is the positive identification of over 400 parent-daughter pairs. This compares with a total of 47 observed pairs (37 confirmed) from all previous metastable ion studies. Normal alkanone fragmentations are observed: Alpha-cleavage, loss of CO or C2H4 from Alpha-cleavage ions, and McLafferty rearrangement in the long chain. The relative abundances of the short chain and long chain Alpha-cleavage fragments are demonstrated to depend on the fragmentation energy available with the long chain fragment predominating at lower energies. The fragmentations observed are grouped for discussion. A number of parent-daughter structures and fragmentation mechanisms are confirmed and some new ones are proposed. New graphical representations of the fragmentation patterns have been devised to accommodate the large amount of information produced in this study. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Oct 03, 1979
- Accession Number
- ADA075255
Entities
People
- C. G. Enke
- R. A. Yost
Organizations
- Michigan State University