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dc.contributor.authorKaszycki, Julia L.
dc.contributor.authorBaird, Matthew A.
dc.contributor.authorShvartsburg, Alexandre A.
dc.date.accessioned2018-02-04T23:42:09Z
dc.date.available2018-02-04T23:42:09Z
dc.date.issued2018-01-02
dc.identifier.citationJulia L. Kaszycki, Matthew A. Baird, and Alexandre A. Shvartsburg. Molecular Structure Characterization by Isotopic Splitting in Nonlinear Ion Mobility Spectra. Analytical Chemistry, 2018 90 (1), 669-673en_US
dc.identifier.issn0003-2700
dc.identifier.otherWOS:000419419200037
dc.identifier.urihttp://dx.doi.org/10.1021/acs.analchem.7b04610
dc.identifier.urihttp://hdl.handle.net/10057/14520
dc.descriptionClick on the DOI link to access the article (may not be free).en_US
dc.description.abstractNearly all compounds comprise numerous isotopologues ensuing from stable natural isotopes for constituent elements. The consequent isotopic envelopes in mass spectra can reveal the ion stoichiometry but not geometry. We found those envelopes to split in differential ion mobility (FAIMS) spectra in a manner dependent on the ion geometry and buffer gas composition. The resulting multidimensional matrix of isotopic shifts is specific to isomers, providing a fundamentally new approach to the characterization of chemical structure. The physical origins of the effect remain to be clarified but likely ensue from the transposition of center of mass of the ion within its geometry frame affecting the partition of energy in above-thermal collisions between the translational and rotational degrees of freedom. The additivity of shifts, holding with no exception so far, may be the key to unraveling the foundations of observed behavior.en_US
dc.description.sponsorshipNSF FIRST (Grant EPS-0903806) and CAREER (Grant CHE-1552640).en_US
dc.language.isoen_USen_US
dc.publisherAmerican Chemical Societyen_US
dc.relation.ispartofseriesAnalytical Chemistry;v.90:no.1
dc.subjectMass-spectrometryen_US
dc.subjectResolutionen_US
dc.subjectSeparationen_US
dc.subjectPetroleomicsen_US
dc.subjectGasesen_US
dc.titleMolecular structure characterization by isotopic splitting in nonlinear ion mobility spectraen_US
dc.typeArticleen_US
dc.typeLetter
dc.rights.holderCopyright © 2017 American Chemical Societyen_US


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