UVPD spectroscopy of differential mobility-selected prototropic isomers of protonated adenine

Research output: Contribution to journalArticleResearchpeer review

Authors

  • Fiorella Villanueva Heldmaier
  • Neville J.A. Coughlan
  • Alexander Haack
  • Rebecca Huard
  • Mircea Guna
  • Bradley B. Schneider
  • J. C.Y. Le Blanc
  • J. Larry Campbell
  • Marcel Nooijen
  • W. Scott Hopkins

External Research Organisations

  • University of Waterloo
  • SCIEX
  • Bedrock Scientific Inc.
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Details

Original languageEnglish
Pages (from-to)19892-19900
Number of pages9
JournalPhysical Chemistry Chemical Physics
Volume23
Issue number35
Early online date30 Aug 2021
Publication statusPublished - 21 Sept 2021
Externally publishedYes

Abstract

Two prototropic isomers of adenine are formed in an electrospray ion source and are resolved spatially in a differential mobility spectrometer before detection in a triple quadrupole mass spectrometer. Each isomer is gated in CV space before being trapped in the linear ion trap of the modified mass spectrometer, where they are irradiated by the tuneable output of an optical parametric oscillator and undergo photodissociation to form charged fragments withm/z119, 109, and 94. The photon-normalised intensity of each fragmentation channel is measured and the action spectra for each DMS-gated tautomer are obtained. Our analysis of the action spectra, aided by calculated vibronic spectra and thermochemical data, allow us to assign the two signals in our measured ionograms to specific tautomers of protonated adenine.

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Cite this

UVPD spectroscopy of differential mobility-selected prototropic isomers of protonated adenine. / Heldmaier, Fiorella Villanueva; Coughlan, Neville J.A.; Haack, Alexander et al.
In: Physical Chemistry Chemical Physics, Vol. 23, No. 35, 21.09.2021, p. 19892-19900.

Research output: Contribution to journalArticleResearchpeer review

Heldmaier, FV, Coughlan, NJA, Haack, A, Huard, R, Guna, M, Schneider, BB, Le Blanc, JCY, Campbell, JL, Nooijen, M & Hopkins, WS 2021, 'UVPD spectroscopy of differential mobility-selected prototropic isomers of protonated adenine', Physical Chemistry Chemical Physics, vol. 23, no. 35, pp. 19892-19900. https://doi.org/10.1039/d1cp02688g
Heldmaier, F. V., Coughlan, N. J. A., Haack, A., Huard, R., Guna, M., Schneider, B. B., Le Blanc, J. C. Y., Campbell, J. L., Nooijen, M., & Hopkins, W. S. (2021). UVPD spectroscopy of differential mobility-selected prototropic isomers of protonated adenine. Physical Chemistry Chemical Physics, 23(35), 19892-19900. https://doi.org/10.1039/d1cp02688g
Heldmaier FV, Coughlan NJA, Haack A, Huard R, Guna M, Schneider BB et al. UVPD spectroscopy of differential mobility-selected prototropic isomers of protonated adenine. Physical Chemistry Chemical Physics. 2021 Sept 21;23(35):19892-19900. Epub 2021 Aug 30. doi: 10.1039/d1cp02688g
Heldmaier, Fiorella Villanueva ; Coughlan, Neville J.A. ; Haack, Alexander et al. / UVPD spectroscopy of differential mobility-selected prototropic isomers of protonated adenine. In: Physical Chemistry Chemical Physics. 2021 ; Vol. 23, No. 35. pp. 19892-19900.
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abstract = "Two prototropic isomers of adenine are formed in an electrospray ion source and are resolved spatially in a differential mobility spectrometer before detection in a triple quadrupole mass spectrometer. Each isomer is gated in CV space before being trapped in the linear ion trap of the modified mass spectrometer, where they are irradiated by the tuneable output of an optical parametric oscillator and undergo photodissociation to form charged fragments withm/z119, 109, and 94. The photon-normalised intensity of each fragmentation channel is measured and the action spectra for each DMS-gated tautomer are obtained. Our analysis of the action spectra, aided by calculated vibronic spectra and thermochemical data, allow us to assign the two signals in our measured ionograms to specific tautomers of protonated adenine.",
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AU - Guna, Mircea

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AU - Nooijen, Marcel

AU - Hopkins, W. Scott

N1 - Funding Information: WSH acknowledges NSERC funding in the form of a Discovery Grant, a Collaborative Research and Development grant, and Alliance Grant, funding from the Mitacs Accelerate program, and support from Compute Canada. NJAC acknowledges NSERC funding in the form of a Vanier-Banting postdoctoral fellowship. AH acknowledges his contribution being funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) – 449651261. MN is supported by an NSERC discovery grant.

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