Metastable Peak Analysis; a Method for Elucidating Fragmentation Mechanisms and Ion Structures in Mass Spectrometry. Part II. Water Loss from the Molecular Ion of 1,2-Cyclohexanediol

Abstract

Defocussed metastable peaks have been used to elucidate the hitherto apparently complex fragmentation of the molecular ion of 1,2-cyclohexanediol. It was shown that the predominant mode of water loss from the molecular ion involved "scrambling" of six hydrogen atoms, those in the 4- and 5-methylene groups and the hydroxyl pair. A minor water elimination involves simple hydroxyl–hydroxyl interaction.