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Selected Ion Flow-Drift Tube Mass Spectrometry: Quantification of Volatile Compounds in Air and Breath.
Anal Chem. 2015 Dec 15; 87(24):12151-60.AC

Abstract

A selected ion flow-drift tube mass spectrometric analytical technique, SIFDT-MS, is described that extends the established selected ion flow tube mass spectrometry, SIFT-MS, by the inclusion of a static but variable E-field along the axis of the flow tube reactor in which the analytical ion-molecule chemistry occurs. The ion axial speed is increased in proportion to the reduced field strength E/N (N is the carrier gas number density), and the residence/reaction time, t, which is measured by Hadamard transform multiplexing, is correspondingly reduced. To ensure a proper understanding of the physics and ion chemistry underlying SIFDT-MS, ion diffusive loss to the walls of the flow-drift tube and the mobility of injected H3O(+) ions have been studied as a function of E/N. It is seen that the derived diffusion coefficient and mobility of H3O(+) ions are consistent with those previously reported. The rate coefficient has been determined at elevated E/N for the association reaction of the H3O(+) reagent ions with H2O molecules, which is the first step in the production of H3O(+)(H2O)1,2,3 reagent hydrate ions. The production of hydrated analyte ion was also experimentally investigated. The analytical performance of SIFDT-MS is demonstrated by the quantification of acetone and isoprene in exhaled breath. Finally, the essential features of SIFDT-MS and SIFT-MS are compared, notably pointing out that a much lower speed of the flow-drive pump is required for SIFDT-MS, which facilitates the development of smaller cost-effective analytical instruments for real time breath and fluid headspace analyses.

Authors+Show Affiliations

J. Heyrovsky Institute of Physical Chemistry, the Czech Academy of Sciences , Dolejškova 3, 18223 Prague 8, Czech Republic. Department of Surface and Plasma Science, Faculty of Mathematics and Physics, Charles University in Prague , V Holešovičkách 2, 18000 Prague, Czech Republic.Institute for Science and Technology in Medicine, School of Medicine, Keele University , Thornburrow Drive, Hartshill, Stoke-on-Trent ST4 7QB, United Kingdom.J. Heyrovsky Institute of Physical Chemistry, the Czech Academy of Sciences , Dolejškova 3, 18223 Prague 8, Czech Republic.

Pub Type(s)

Journal Article
Research Support, Non-U.S. Gov't

Language

eng

PubMed ID

26583448

Citation

Spesyvyi, Anatolii, et al. "Selected Ion Flow-Drift Tube Mass Spectrometry: Quantification of Volatile Compounds in Air and Breath." Analytical Chemistry, vol. 87, no. 24, 2015, pp. 12151-60.
Spesyvyi A, Smith D, Španěl P. Selected Ion Flow-Drift Tube Mass Spectrometry: Quantification of Volatile Compounds in Air and Breath. Anal Chem. 2015;87(24):12151-60.
Spesyvyi, A., Smith, D., & Španěl, P. (2015). Selected Ion Flow-Drift Tube Mass Spectrometry: Quantification of Volatile Compounds in Air and Breath. Analytical Chemistry, 87(24), 12151-60. https://doi.org/10.1021/acs.analchem.5b02994
Spesyvyi A, Smith D, Španěl P. Selected Ion Flow-Drift Tube Mass Spectrometry: Quantification of Volatile Compounds in Air and Breath. Anal Chem. 2015 Dec 15;87(24):12151-60. PubMed PMID: 26583448.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Selected Ion Flow-Drift Tube Mass Spectrometry: Quantification of Volatile Compounds in Air and Breath. AU - Spesyvyi,Anatolii, AU - Smith,David, AU - Španěl,Patrik, Y1 - 2015/12/03/ PY - 2015/11/20/entrez PY - 2015/11/20/pubmed PY - 2016/7/12/medline SP - 12151 EP - 60 JF - Analytical chemistry JO - Anal Chem VL - 87 IS - 24 N2 - A selected ion flow-drift tube mass spectrometric analytical technique, SIFDT-MS, is described that extends the established selected ion flow tube mass spectrometry, SIFT-MS, by the inclusion of a static but variable E-field along the axis of the flow tube reactor in which the analytical ion-molecule chemistry occurs. The ion axial speed is increased in proportion to the reduced field strength E/N (N is the carrier gas number density), and the residence/reaction time, t, which is measured by Hadamard transform multiplexing, is correspondingly reduced. To ensure a proper understanding of the physics and ion chemistry underlying SIFDT-MS, ion diffusive loss to the walls of the flow-drift tube and the mobility of injected H3O(+) ions have been studied as a function of E/N. It is seen that the derived diffusion coefficient and mobility of H3O(+) ions are consistent with those previously reported. The rate coefficient has been determined at elevated E/N for the association reaction of the H3O(+) reagent ions with H2O molecules, which is the first step in the production of H3O(+)(H2O)1,2,3 reagent hydrate ions. The production of hydrated analyte ion was also experimentally investigated. The analytical performance of SIFDT-MS is demonstrated by the quantification of acetone and isoprene in exhaled breath. Finally, the essential features of SIFDT-MS and SIFT-MS are compared, notably pointing out that a much lower speed of the flow-drive pump is required for SIFDT-MS, which facilitates the development of smaller cost-effective analytical instruments for real time breath and fluid headspace analyses. SN - 1520-6882 UR - https://www.unboundmedicine.com/medline/citation/26583448/Selected_Ion_Flow_Drift_Tube_Mass_Spectrometry:_Quantification_of_Volatile_Compounds_in_Air_and_Breath_ DB - PRIME DP - Unbound Medicine ER -