title: Investigations of chemical warfare agents and toxic industrial compounds with proton-transfer-reaction mass spectrometry for a real-time threat monitoring scenario.
abstract: BACKGROUND
  Security and protection against terrorist attacks are major issues in modern society. One especially challenging task is the monitoring and protection of air conditioning and heating systems of buildings against terrorist attacks with toxic chemicals. As existing technologies have low selectivity, long response times or insufficient sensitivity, there is a need for a novel approach such as we present here.
  
  
  METHODS
  We have analyzed various chemical warfare agents (CWAs) and/or toxic industrial compounds (TICs) and related compounds, namely phosgene, diphosgene, chloroacetone, chloroacetophenone, diisopropylaminoethanol, and triethyl phosphate, utilizing a high-resolution proton-transfer-reaction time-of-flight mass spectrometry (PTR-TOFMS) instrument with the objective of finding key product ions and their intensities, which will allow a low-resolution quadrupole mass spectrometry based PTR-MS system to be used with high confidence in the assignment of threat agents in the atmosphere.
  
  
  RESULTS
  We obtained high accuracy PTR-TOFMS mass spectra of the six compounds under study at two different values for the reduced electric field in the drift tube (E/N). From these data we have compiled a table containing product ions, and isotopic and E/N ratios for highly selective threat compound detection with a compact and cost-effective quadrupole-based PTR-MS instrument. Furthermore, using chloroacetophenone (tear gas), we demonstrated that this instrument's response is highly linear in the concentration range of typical Acute Exposure Guideline Levels (AEGLs).
  
  
  CONCLUSIONS
  On the basis of the presented results it is possible to develop a compact and cost-effective PTR-QMS instrument that monitors air supply systems and triggers an alarm as soon as the presence of a threat agent is detected. We hope that this real-time surveillance device will help to seriously improve safety and security in environments vulnerable to terrorist attacks with toxic chemicals.
authors.affiliation: IONICON Analytik GmbH, Eduard-Bodem-Gasse 3, A-6020 Innsbruck, Austria.
authors.forename: Thomas
authors.initials: T
authors.lastname: Kassebacher
authors.forename: Philipp
authors.initials: P
authors.lastname: Sulzer
authors.forename: Simone
authors.initials: S
authors.lastname: Jürschik
authors.forename: Eugen
authors.initials: E
authors.lastname: Hartungen
authors.forename: Alfons
authors.initials: A
authors.lastname: Jordan
authors.forename: Achim
authors.initials: A
authors.lastname: Edtbauer
authors.forename: Stefan
authors.initials: S
authors.lastname: Feil
authors.forename: Gernot
authors.initials: G
authors.lastname: Hanel
authors.forename: Stefan
authors.initials: S
authors.lastname: Jaksch
authors.forename: Lukas
authors.initials: L
authors.lastname: Märk
authors.forename: Chris A
authors.initials: CA
authors.lastname: Mayhew
authors.forename: Tilmann D
authors.initials: TD
authors.lastname: Märk