TY - JOUR

T1 - UVPD spectroscopy of differential mobility-selected prototropic isomers of protonated adenine

AU - Heldmaier, Fiorella Villanueva

AU - Coughlan, Neville J.A.

AU - Haack, Alexander

AU - Huard, Rebecca

AU - Guna, Mircea

AU - Schneider, Bradley B.

AU - Le Blanc, J. C.Y.

AU - Campbell, J. Larry

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.

PY - 2021/9/21

Y1 - 2021/9/21

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85115119322&partnerID=8YFLogxK

U2 - 10.1039/d1cp02688g

DO - 10.1039/d1cp02688g

M3 - Article

AN - SCOPUS:85115119322

VL - 23

SP - 19892

EP - 19900

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 35

ER -