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

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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.
Funding Information
  • Deutsche Forschungsgemeinschaft (CRC 765)
  • Alexander von Humboldt-Stiftung (Postdoc Fellowship)
  • Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung (PZ00P2_161270)
  • H2020 European Research Council (695009)
  • Engineering and Physical Sciences Research Council (EP/P027067/1)
  • Fondation Philippe Wiener - Maurice Anspach (Postdoc Fellowship)

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