A method for the identification of the double-bond position of isomeric linear tetradecenols and related compounds based on mass spectra of dimethyl disulfide derivatives

A simple method is presented for calculation of the double-bond position in linear tetradecenols based on mass spectral data of dimethyl disulfide derivatives. In this approach, the m/z ratios of the molecular ion and of one (or both) of the two most abundant fragment ions were utilized to calculate the double-bond position, without the requirement to identify both fragment ions resulting from carbon-carbon cleavage across what was originally the double bond. The approach was tested with mass spectra of dimethyl disulfide derivatives of 12 isomeric tetradecenols, and the double-bond position in each isomer was successfully identified by this method. The method was shown to work also for the corresponding acetates. Copyright (C) 2001 John Wiley & Sons, Ltd.