Title: Ion‐Mobility Mass Spectrometry for the Rapid Determination of the Topology of Interlocked and Knotted Molecules.
Authors: Kruve, Anneli; Caprice, Kenji; Lavendomme, Roy; Wollschläger, Jan M.; Schoder, Stefan; Schröder, Hendrik V.; Nitschke, Jonathan R.; Cougnon, Fabien B. L.; Schalley, Christoph A.
Abstract: A rapid screening method based on traveling‐wave ion‐mobility spectrometry (TWIMS) combined with tandem mass spectrometry provides insight into the topology of interlocked and knotted molecules, even when they exist in complex mixtures, such as interconverting dynamic combinatorial libraries. A TWIMS characterization of structure‐indicative fragments generated by collision‐induced dissociation (CID) together with a floppiness parameter defined based on parent‐ and fragment‐ion arrival times provide a straightforward topology identification. To demonstrate its broad applicability, this approach is applied here to six Hopf and two Solomon links, a trefoil knot, and a [3]catenate.
Subjects: MASS spectrometry; TOPOLOGY; MOLECULES
Publication: Angewandte Chemie, 2019, Vol 131, Issue 33, p11446
ISSN: 0044-8249
Publication type: Academic Journal
DOI: 10.1002/ange.201904541

Ion‐Mobility Mass Spectrometry for the Rapid Determination of the Topology of Interlocked and Knotted Molecules.

Kruve, Anneli; Caprice, Kenji; Lavendomme, Roy; Wollschläger, Jan M.; Schoder, Stefan; Schröder, Hendrik V.; Nitschke, Jonathan R.; Cougnon, Fabien B. L.; Schalley, Christoph A.