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Kleeblatt, J. ; Ehlert, S. ; Hölzer, J. ; Sklorz, M. ; Rittgen, J. ; Baumgartel, P.* ; Schubert, J.K.* ; Zimmermann, R.

Investigation of the photoionization properties of pharmaceutically relevant substances by resonance-enhanced multiphoton ionization spectroscopy and single-photon ionization spectroscopy using synchrotron radiation.

Appl. Spectrosc. 67, 860-872 (2013)
DOI PMC
Open Access Green möglich sobald Postprint bei der ZB eingereicht worden ist.
The photoionization properties of the pharmaceutically relevant substances amantadine, diazepam, dimethyltryptamine, etomidate, ketamine, mescaline, methadone, and propofol were determined. At beamline U125/2-10m-NIM of the BESSY II synchrotron facility (Berlin, Germany) vacuum ultraviolet (VUV) photoionization spectra were recorded in the energy range 7.1 to 11.9 eV (174.6 to 104.2 nm), showing the hitherto unknown ionization energies and fragmentation appearance energies of the compounds under investigation. Furthermore, (1+1)-resonance-enhanced multiphoton ionization (REMPI) spectra of selected compounds (amantadine, diazepam, etomidate, ketamine, and propofol) were recorded by a continuous scan in the energy range between 3.6 and 5.7 eV (345 to 218 mu) using a tunable optical parametric oscillator (spectral resolution: 0.1 mu) laser system. The resulting REMPI wavelength spectra of these compounds are discussed and put into context with already known UV absorption data. Time-of-flight mass spectrometry was used for ion detection in both experiments. Finally, the implications of the obtained physical-chemical results for potential analytical applications are discussed. In this context, fast detection approaches for the considered compounds from breath gas using photoionization mass spectrometry and a rapid pre-concentration step (e.g., needle trap device) are of interest.
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Publikationstyp Artikel: Journalartikel
Dokumenttyp Wissenschaftlicher Artikel
Schlagwörter Pharmaceutically Relevant Compounds ; Ionization Energies ; Appearance Energies ; Breath Gas Analysis ; Rempi Spectra ; Vuv Ionization Spectra ; Time-of-flight Mass Spectrometry ; Synchrotron ; Laser Spectroscopy; Electron-impact Ionization ; Volatile Organic-compounds ; Flight Mass-spectrometer ; Online Gas-analysis ; Cross-sections ; Quantitative-analysis ; Vacuum-ultraviolet ; Human Breath ; Molecules ; Ms
Sprache englisch
Veröffentlichungsjahr 2013
HGF-Berichtsjahr 2013
ISSN (print) / ISBN 0003-7028
e-ISSN 1943-3530
Zeitschrift Applied Spectroscopy
Quellenangaben Band: 67, Heft: 8, Seiten: 860-872 Artikelnummer: , Supplement: ,
Verlag Optical Society of America (OSA)
Begutachtungsstatus Peer reviewed
Institut(e) Cooperation Group Comprehensive Molecular Analytics (CMA)
POF Topic(s) 30202 - Environmental Health
Forschungsfeld(er) Environmental Sciences
PSP-Element(e) G-504500-001
PubMed ID 23876725
DOI 10.1366/13-06988
WOS ID WOS:000322559700007
Erfassungsdatum 2013-08-22
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