Detection and Quantification of Benzothiazoles in Exhaled Breath and Exhaled Breath Condensate by Real-Time Secondary Electrospray Ionization-High-Resolution Mass Spectrometry and Ultra-High Performance Liquid Chromatography

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Author(s) García-Gómez, Diego, Bregy, Lukas, Nussbaumer-Ochsner, Yvonne, Gaisl, Thomas, Kohler, Malcolm, Zenobi, Renato
Publication Type Journal Items, Publication Status: Published
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Title Detection and Quantification of Benzothiazoles in Exhaled Breath and Exhaled Breath Condensate by Real-Time Secondary Electrospray Ionization-High-Resolution Mass Spectrometry and Ultra-High Performance Liquid Chromatography
Author(s) García-Gómez, Diego
Bregy, Lukas
Nussbaumer-Ochsner, Yvonne
Gaisl, Thomas
Kohler, Malcolm
Zenobi, Renato
Journal or Series Title Environmental Science and Technology
Volume Number 49
Issue Number 20
Start Page 12519
End Page 12524
ISSN 0013-936X
1520-5851
Publisher American Chemical Society
Publication Place Washington, DC
Publication Date 2015-10
Abstract 2-Subtituted benzothiazoles are widely used industrial chemicals whose occurrence in environmental samples has been shown to be ubiquitous. However, knowledge about human exposure to these compounds and their excretion route is still scarce. Here, we demonstrate for the first time the detection of benzothiazole derivatives in exhaled breath. Real-time analysis of breath was carried out by means of secondary electrospray ionization coupled to high-resolution mass spectrometry. This coupling allowed not only the detection of these compounds in breath with a sensitivity in the pptv range but also their robust identification by comparing tandem high-resolution mass spectra from breath and standards. For further confirmation, benzothiazoles were also determined in exhaled breath condensate samples by means of ultra high-performance liquid chromatography. This approach strengthened the identification as a result of excellent matches in retention times and also allowed quantification. An estimated total daily exhalation of ca. 20 μg day⁻¹ was calculated for the six benzothiazole derivatives found in breath.
DOI 10.1021/acs.est.5b03809
Additional Notes Published online 21 September 2015
Document Type Article
Publication Status Published
Language English
Assigned Organisational Unit(s) 03430
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NEBIS System Number 000033453
Source Database ID SCOPUS-84945265663
WOS-000363348700061
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@article{Grc2015,
  author = "Garc{\'{i}}a-G{\'{o}}mez, Diego and Bregy, Lukas and Nussbaumer-Ochsner, Yvonne and Gaisl, Thomas and Kohler, Malcolm and Zenobi, Renato",
  title = "{D}etection and {Q}uantification of {B}enzothiazoles in {E}xhaled {B}reath and {E}xhaled {B}reath {C}ondensate by {R}eal-{T}ime {S}econdary {E}lectrospray {I}onization-{H}igh-{R}esolution {M}ass {S}pectrometry and {U}ltra-{H}igh {P}erformance {L}iquid {C}hromatography",
  journal = "Environmental Science and Technology",
  year = 2015,
  volume = "49",
  number = "20",
  pages = "12519--12524",
  month = oct,
}


E-Citations record created: Mon, 09 Nov 2015, 11:29:40 CET