High energy collision-induced dissociation (CID) has long been used as a means of structural identification, although this application primarily involves simple bond cleavages such that CID establishes connectivity only.  Structures involving rearrangements of complex molecules at lower excitation energies are not easily assigned using only mass-to-charge information.  However, such species can be identified by also obtaining energetic information from the threshold for formation of the associated fragment ion.  Comparison of such threshold energies to those calculated theoretically for various possible fragments generally allows unambiguous structural identifications, as well as providing valuable experimental thermodynamic information that permits predictions of subsequent reactions.  In this talk, several case studies associated with this procedure in the decompositions of amino acids and small peptides will be examined.

Structure and mechanistic information from energy resolved collision-induced dissociation mass spectrometry

244th National Meeting (2012)

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