In an earlier fast atom bombardment mass spectroscopy study of polyether antibiotics containing a β-hemiketal carboxylic acid group, the base peak was found to originate from the unusual fragmentation process where both CO<sub>2</sub> and H<sub>2</sub>O were lost from the metal-adduct molecular ion. In this paper, the details of this fragmentation process are studied by <i>ab initio</i> molecular orbital calculations, which indicate that the concerted loss of both CO<sub>2</sub> and H<sub>2</sub>O is much favored over sequential losses of CO<sub>2</sub> and H<sub>2</sub>O.
You do not have subscription access to this journal. Cited by links are available to subscribers only. You may subscribe either as an OSA member, or as an authorized user of your institution.
Contact your librarian or system administrator
Login to access OSA Member Subscription