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dc.contributor.authorBaird, Matthew A.
dc.contributor.authorPathak, Pratima
dc.contributor.authorShvartsburg, Alexandre A.
dc.identifier.citationMatthew A. Baird, Pratima Pathak, and Alexandre A. Shvartsburg. 2019. Elemental dependence of structurally specific isotopic shifts in high-field ion mobility spectra. Anal. Chem. 2019, 91, 5, 3687-3693en_US
dc.descriptionClick on the DOI link to access the article (may not be free).en_US
dc.description.abstractNearly all molecules incorporate at least one element with stable isotopes, yielding ubiquitous isotopologic envelopes in mass spectra. Those envelopes split in differential or field asymmetric waveform ion mobility (FAIMS) spectra depending on the ion geometry, enabling a new general approach to isomer delineation as we demonstrated for chloroanilines. Here, we report that analogous bromoanilines exhibit qualitatively distinct isotopic shifts under identical conditions, some changing signs depending on the gas. This dramatic elemental specificity conveys the breadth and diversity of structural isotopic effect in FAIMS, suggesting unique information-rich patterns for compounds involving various elements and feasibility of enhancing the structural elucidation by atom substitution. We also introduce the capability to make or ensure structural assignments employing major isomer-specific peak broadening due to unresolved isotopomer mixtures.en_US
dc.relation.ispartofseriesAnalytical Chemistry;v.91:no.5
dc.subjectMass spectrometryen_US
dc.titleElemental dependence of structurally specific isotopic shifts in high-field ion mobility spectraen_US
dc.rights.holder© 2019 American Chemical Societyen_US

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