Facility monitoring of chemical warfare agent simulants in air using an automated, field-deployable, miniature mass spectrometer

Rapid Commun Mass Spectrom. 2011 May 30;25(10):1437-44. doi: 10.1002/rcm.5018.

Abstract

Vapors of four chemical warfare agent (CWA) stimulants, 2-chloroethyl ethyl sulfide (CEES), diethyl malonate (DEM), dimethyl methylphosphonate (DMMP), and methyl salicylate (MeS), were detected, identified, and quantitated using a fully automated, field-deployable, miniature mass spectrometer. Samples were ionized using a glow discharge electron ionization (GDEI) source, and ions were mass analyzed with a cylindrical ion trap (CIT) mass analyzer. A dual-tube thermal desorption system was used to trap compounds on 50:50 Tenax TA/Carboxen 569 sorbent before their thermal release. The sample concentrations ranged from low parts per billion [ppb] to two parts per million [ppm]. Limits of detection (LODs) ranged from 0.26 to 5.0 ppb. Receiver operating characteristic (ROC) curves are presented for each analyte. A sample of CEES at low ppb concentration was combined separately with two interferents, bleach (saturated vapor) and diesel fuel exhaust (1%), as a way to explore the capability of detecting the simulant in an environmental matrix. Also investigated was a mixture of the four CWA simulants (at concentrations in air ranging from 270 to 380 ppb). Tandem mass (MS/MS) spectral data were used to identify and quantify the individual components.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Air / analysis*
  • Chemical Warfare Agents / analysis*
  • Chemical Warfare Agents / isolation & purification
  • Malonates / analysis
  • Malonates / isolation & purification
  • Miniaturization
  • Models, Chemical
  • Mustard Gas / analogs & derivatives
  • Mustard Gas / analysis
  • Mustard Gas / isolation & purification
  • Organophosphorus Compounds / analysis
  • Organophosphorus Compounds / isolation & purification
  • ROC Curve
  • Salicylates / analysis
  • Salicylates / isolation & purification
  • Sensitivity and Specificity
  • Tandem Mass Spectrometry / instrumentation*
  • Tandem Mass Spectrometry / methods*

Substances

  • Chemical Warfare Agents
  • Malonates
  • Organophosphorus Compounds
  • Salicylates
  • dimethyl methylphosphonate
  • diethyl malonate
  • 2-chloroethyl ethyl sulfide
  • methyl salicylate
  • Mustard Gas