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Scientific Articles - PTR-MS Bibliography

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Found 5 results
Title [ Year(Asc)]
Filters: Author is Alfons Jordan  [Clear All Filters]
[1533] Sulzer, P., E. Hartungen, G. Hanel, S. Feil, K. Winkler, P. Mutschlechner, S. Haidacher, R. Schottkowsky, D. Gunsch, H. Seehauser, et al., "A Proton Transfer Reaction-Quadrupole interface Time-Of-Flight Mass Spectrometer (PTR-QiTOF): High speed due to extreme sensitivity", International Journal of Mass Spectrometry, vol. 368, pp. 1-5, 2014.
<p>Here we introduce a new prototype of a Proton Transfer Reaction-Time-Of-Flight Mass Spectrometry (PTR-TOFMS) instrument. In contrast to commercially available PTR-TOFMS devices so far, which utilize a transfer lens system, the novel prototype is equipped with a quadrupole ion guide for the highly effective transfer of ions from the drift tube to the mass spectrometer; hence we call it PTR-QiTOF, whereas &ldquo;Qi&rdquo; stands for &ldquo;Quadrupole interface&rdquo;. This new interface greatly improves the TOF mass resolution because of favorable injection conditions. Depending on whether we optimize the PTR-QiTOF to maximum sensitivity or maximum mass resolution, we get about 6900 and 10,400 m/m mass resolution, respectively, already at m/z 149 (increasing with ascending masses). Furthermore, we increase the pressure in the drift tube from typically 2.2 mbar to 3.8 mbar and the drift tube voltage from 600V to 1000 V. We directly compare the sensitivities of a commercial state-of-the-art PTR-TOFMS instrument to this &ldquo;high pressure&rdquo; PTR-QiTOF prototype and find that these modifications lead to a gain on average by a factor of 25 in terms of sensitivity with a maximum of about 4700 cps/ppbv for dichlorobenzene atm/z 147 for the PTR-QiTOF. This is (to our knowledge) the highest sensitivity ever reported for a PTR-MS instrument, regardless of the employed mass spectrometer. The increased sensitivity also has a very positive effect on the detection limit, which lies now at about 20 pptv with 100ms and 750 ppqv after 1 min integration time.Weprovide data on the linearity of the instrumental response over a concentration range of five orders of magnitude and evaluate the prototype&rsquo;s performance in a real-life test by analyzing the dynamic headspace of a minute amount of trinitrotoluene using only 2 s integration time.</p>
[1467] W. Acton, J., M. Lanza, B. Agarwal, S. Jürschik, P. Sulzer, K. Breiev, A. Jordan, E. Hartungen, G. Hanel, L. Märk, et al., "Headspace analysis of new psychoactive substances using a Selective Reagent Ionisation-Time of Flight-Mass Spectrometer", International Journal of Mass Spectrometry, pp. -, 2013.
<p>The rapid expansion in the number and use of new psychoactive substances presents a significant analytical challenge because highly sensitive instrumentation capable of detecting a broad range of chemical compounds in real-time with a low rate of false positives is required. A Selective Reagent Ionisation-Time of Flight-Mass Spectrometry (SRI-ToF-MS) instrument is capable of meeting all of these requirements. With its high mass resolution (up to m/Δm of 8000), the application of variations in reduced electric field strength (E/N) and use of different reagent ions, the ambiguity of a nominal (monoisotopic) m/z is reduced and hence the identification of chemicals in a complex chemical environment with a high level of confidence is enabled. In this study we report the use of a SRI-ToF-MS instrument to investigate the reactions of H3O+, O2+, NO+ and Kr+ with 10 readily available (at the time of purchase) new psychoactive substances, namely 4-fluoroamphetamine, methiopropamine, ethcathinone, 4-methylethcathinone, N-ethylbuphedrone, ethylphenidate, 5-MeO-DALT, dimethocaine, 5-(2-aminopropyl)benzofuran and nitracaine. In particular, the dependence of product ion branching ratios on the reduced electric field strength for all reagent ions was investigated and is reported here. The results reported represent a significant amount of new data which will be of use for the development of drug detection techniques suitable for real world scenarios.</p>
[1464] Edtbauer, A., E. Hartungen, A. Jordan, G. Hanel, J. Herbig, S. Jürschik, M. Lanza, K. Breiev, L. Märk, and P. Sulzer, "Theory and practical examples of the quantification of CH4, CO, O2, and \{CO2\} with an advanced proton-transfer-reaction/selective-reagent-ionization instrument (PTR/SRI-MS)", International Journal of Mass Spectrometry, pp. -, 2013.
<p>Abstract Following up the first introduction of an advanced proton-transfer-reaction mass spectrometry (PTR-MS) instrument in 2012, which is capable of utilizing H3O+, NO+, O2+, and Kr+, respectively, for chemical ionization and subsequent detection of a broad variety of compound classes, here we present calculations of the best suitable mixing ratios between the sample and buffer gas in Kr+ mode, as well as two possible applications of such an instrument in indoor air analysis and engine exhaust studies. Due to secondary reactions in the drift tube the admixing of a buffer gas with a higher recombination energy than Kr+ is inevitable. The calculations show that though a dilution ratio of 1:40 (sample : buffer gas) results in the highest sensitivity, for accurate substance quantification a dilution ratio of at least 1:500 is necessary. By applying this theoretical knowledge to two practical examples, we find that the quantification of CH4, CO, O2, and CO2, respectively, is well within the range of the expected concentrations. We conclude that such an instrument can be of utmost benefit for researchers working for example in environmental research, because in H3O+ mode volatile organic compounds can be quantified with very high sensitivity and low detection limits and by means of switching the reagent ions to Kr+ additional instrumentation for quantification of (inorganic) pollutants becomes virtually obsolete.</p>
[Hartungen2012] Hartungen, E., L. Märk, C. Lindinger, A. Jordan, S. Juerschik, P. Sulzer, and T. D. Märk, "Proton-Transfer-Reaction Mass Spectrometry (PTR-MS) with Real-Time Nosespace Air Sampling-an Essential Tool for Food and Flavor Analysis", Poster, 2012.
[Jordan1995] Jordan, A., A. Hansel, R. Holzinger, and W. Lindinger, "Acetonitrile and benzene in the breath of smokers and non-smokers investigated by proton transfer reaction mass spectrometry (PTR-MS)", International Journal of Mass Spectrometry and Ion Processes, vol. 148, no. 1-2, pp. L1 - L3, 1995.
Benzene and acetonitrile are both present in greater concentrations in the breath of smokers than in non-smokers. The concentrations of these neutrals can be readily detected in the gas phase by their proton transfer reactions with H3O+. The concentration of benzene in the breath of smokers rapidly decreases with the time since the last cigarette was smoked, declining to values similar to those of non-smokers within an hour. In contrast, the concentration of acetonitrile in the breath of smokers takes nearly a week to decrease to that of non-somokers, once smoking stops. Thus the analysis of acetonitrile in the breath is a most suitable indicator of whether a given subject is or is not a smoker.

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Selected PTR-MS related Reviews

F. Biasioli, C. Yeretzian, F. Gasperi, T. D. Märk: PTR-MS monitoring of VOCs and BVOCs in food science and technology, Trends in Analytical Chemistry 30 (7) (2011).

J. de Gouw, C. Warneke, T. Karl, G. Eerdekens, C. van der Veen, R. Fall: Measurement of Volatile Organic Compounds in the Earth's Atmosphere using Proton-Transfer-Reaction Mass Spectrometry. Mass Spectrometry Reviews, 26 (2007), 223-257.

W. Lindinger, A. Hansel, A. Jordan: Proton-transfer-reaction mass spectrometry (PTR–MS): on-line monitoring of volatile organic compounds at pptv levels, Chem. Soc. Rev. 27 (1998), 347-375.


Lists with PTR-MS relevant publications of the University of Innsbruck can be found here: Atmospheric and indoor air chemistry, IMR, Environmental Physics and Nano-Bio-Physics


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