m/z 97 obtained from the dimethyl disulfide derivative of unsaturated ethyl esters



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Eur. J. Mass Spectrom. 4, 245 - 249 (1998)

A theoretical and experimental study of the fragment ion of m/z 97 obtained from the dimethyl disulfide derivative of unsaturated ethyl esters

C. Pepe* and H. Sayer
Laboratoire de Spectrochimie Moléculaire, Université P. et M. Curie, case 49, 75252 Paris Cedex 5, France.
J. Dagaut
Laboratoire de Physique et Chimie Marines, Université P. et M. Curie, 75252 Paris Cedex 5, France.

ABSTRACT:
An experimental and a theoretical study have been undertaken on the very large fragment ion of m/z 97 observed in the mass spectra of dimethyl disulfide (DMDS) derivatives of methyl esters. A structure for this ion and the corresponding fragmentation pathway have been proposed. This fragment ion is present only when one methylene group separates the double bonds and only if the compounds contain an ester function. The presence of this fragment ion allows the easy location of the double bonds.

Keywords: GC/MS, DMDS derivatives of esters, structure of fragment ion of m/z 97, ab initio calculations

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