title: Detection of isocyanates and polychlorinated biphenyls using proton transfer reaction mass spectrometry.
abstract: BACKGROUND
  Isocyanates are highly reactive species widely used in industry. They can cause irritation of the eyes, trigger asthma, etc. Polychlorinated biphenyls (PCBs) were widely used in electrical equipments like capacitors and transformers in the last century and are still present in the environment today. PCBs are known to cause cancer and to affect the immune, reproductive, nervous and endocrine systems. Therefore, there is a need for a simple, rapid and reliable analytical method for the detection of traces of isocyanates and of PCBs.
  
  
  METHODS
  The data presented in this paper were obtained using a proton transfer reaction (PTR) time-of-flight mass spectrometer and a high sensitivity PTR quadrupole mass spectrometer. We also utilized a recently developed direct aqueous injection (DAI) inlet system for proton transfer reaction mass spectrometry (PTR-MS) instruments that allows the analysis of trace compounds in liquids.
  
  
  RESULTS
  We detected four isocyanates in the headspace above small sample quantities and investigated their fragmentation pathways to obtain a fundamental understanding of the processes involved in proton transfer reactions and also to determine the best operating conditions of the PTR-MS instruments. In addition, nine PCBs were unambiguously identified via their exact mass and isotopic distribution and detected in different concentration levels via direct injection of the liquid.
  
  
  CONCLUSIONS
  Utilizing recent developments and improvements in PTR-MS, we can rapidly detect two important environmental pollutant compound classes (isocyanates and PCBs) at high accuracy and without any sample preparation. In this paper, we provide proof of the detection of traces of isocyanates and PCBs in air and also of PCBs in liquids. These results could be used for the development of a real-time monitoring device for industrial waste, polluted air or water quality surveillance.
authors.affiliation: Institut für Ionenphysik und Angewandte Physik, Leopold Franzens Universität Innsbruck, Technikerstr. 25, A-6020 Innsbruck, Austria.
authors.forename: B
authors.initials: B
authors.lastname: Agarwal
authors.forename: S
authors.initials: S
authors.lastname: Jürschik
authors.forename: P
authors.initials: P
authors.lastname: Sulzer
authors.forename: F
authors.initials: F
authors.lastname: Petersson
authors.forename: S
authors.initials: S
authors.lastname: Jaksch
authors.forename: A
authors.initials: A
authors.lastname: Jordan
authors.forename: T D
authors.initials: TD
authors.lastname: Märk
mesh_terms: D000393:Air Pollutants / Q000032:analysis*; D017953:Isocyanates / Q000032:analysis*; D013058:Mass Spectrometry / Q000379:methods*; D011078:Polychlorinated Biphenyls / Q000032:analysis*; D014874:Water Pollutants, Chemical / Q000032:analysis*
chemical_list: D000393:Air Pollutants; D017953:Isocyanates; D014874:Water Pollutants, Chemical; D011078:Polychlorinated Biphenyls