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Mass Spectra and Analytical Correlations of Some Alkylcycloalkyl Sulfides.

PB190014

Publication Date	1970
Personal Author	Dooley, J. E.; Kendall, R. F.; Hirsch, D. E.
Page Count	23
Abstract	Reference mass spectra and analytical correlations for 20 alkylcycloalkyl sulfides and two dicycloalkyl sulfides are presented to provide information that will facilitate the identification of sulfur compounds occuring in natural or synthetic mixtures. Reference spectra indicate relative intensities in addition to parent and base peak sensitivities. Analytical correlations establish the ionic species that reflect major fragmentation paths for the compounds studied. Specifically, the correlations show that base peaks are formed by several different processes: (1) Cleavage of the bond alpha to the ring, (2) fragmentation of the alkyl chain, and (3) fragmentation of the ring plus fragment contribution from the alkyl chain. Useful correlations for determining alkyl chain length involve the C(n)H(2n+3)S(+) and C(n)H(2n+1)(+)ions. C(n)H(2n-2)(+) and C(n)H(2n-1)S(+) ions reveal the number of carbon atoms in the cyclic ring. Other important ionic species are also discussed. (Author)
Keywords	Sulfides Mass spectrum Mass spectroscopy Cycloalkanes Ions
NTIS Subject Category	99F - Physical & Theoretical Chemistry
Corporate Authors	BUREAU OF Mines, Washington, D.C.
Document Type	Technical Report
Title Note	Report of Investigations.
NTIS Issue Number	197009

Mass Spectra and Analytical Correlations of Some Alkylcycloalkyl Sulfides.

Mass Spectra and Analytical Correlations of Some Alkylcycloalkyl Sulfides.
PB190014

Publication Date	1970
Personal Author	Dooley, J. E.; Kendall, R. F.; Hirsch, D. E.
Page Count	23
Abstract	Reference mass spectra and analytical correlations for 20 alkylcycloalkyl sulfides and two dicycloalkyl sulfides are presented to provide information that will facilitate the identification of sulfur compounds occuring in natural or synthetic mixtures. Reference spectra indicate relative intensities in addition to parent and base peak sensitivities. Analytical correlations establish the ionic species that reflect major fragmentation paths for the compounds studied. Specifically, the correlations show that base peaks are formed by several different processes: (1) Cleavage of the bond alpha to the ring, (2) fragmentation of the alkyl chain, and (3) fragmentation of the ring plus fragment contribution from the alkyl chain. Useful correlations for determining alkyl chain length involve the C(n)H(2n+3)S(+) and C(n)H(2n+1)(+)ions. C(n)H(2n-2)(+) and C(n)H(2n-1)S(+) ions reveal the number of carbon atoms in the cyclic ring. Other important ionic species are also discussed. (Author)
Keywords	Sulfides Mass spectrum Mass spectroscopy Cycloalkanes Ions
NTIS Subject Category	99F - Physical & Theoretical Chemistry
Corporate Authors	BUREAU OF Mines, Washington, D.C.
Document Type	Technical Report
Title Note	Report of Investigations.
NTIS Issue Number	197009