Quantitative analysis of poly- and perfluoroalkyl compounds in water matrices using high resolution mass spectrometry: optimization for a laser diode thermal desorption method

Anal Chim Acta. 2015 Jun 30:881:98-106. doi: 10.1016/j.aca.2015.04.015. Epub 2015 Apr 21.

Abstract

An alternative analysis technique for the quantitation of 15 poly- and perfluoroalkyl substances (PFASs) in water matrices is reported. Analysis time between each sample was reduced to less than 20s, all target molecules being analyzed in a single run with the use of laser diode thermal desorption atmospheric pressure chemical ionization (LDTD/APCI) coupled with high resolution accurate mass (HRMS) orbitrap mass spectrometry. LDTD optimal settings were investigated using either one-factor-at-a-time or experimental design methodologies, while orbitrap parameters were optimized simultaneously by means of a Box-Behnken design. Following selection of an adequate sample concentration and purification procedure based on solid-phase extraction and graphite clean-up, the method was validated in an influent wastewater matrix. Environmentally significant limits of detection were reported (0.3-4ngL(-1) in wastewater and 0.03-0.2ngL(-1) in surface water) and out of the 15 target analytes, 11 showed excellent accuracies (±20% of the target values) and recovery rates (75-125%). The method was successfully applied to a selection of environmental samples, including wastewater samples in 7 locations across Canada, as well as surface and tap water samples from the Montreal region, providing insights into the degree of PFAS contamination in this area.

Keywords: Experimental design; High resolution accurate mass; Laser diode thermal desorption; Orbitrap; Perfluorinated; Wastewater.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Chromatography, High Pressure Liquid / methods*
  • Fluorocarbons / analysis*
  • Fluorocarbons / chemistry
  • Fresh Water / analysis
  • Fresh Water / chemistry
  • High-Throughput Screening Assays
  • Lasers*
  • Limit of Detection
  • Reproducibility of Results
  • Solid Phase Extraction / methods
  • Tandem Mass Spectrometry / methods*
  • Wastewater / analysis
  • Wastewater / chemistry*
  • Water Pollutants, Chemical / analysis*

Substances

  • Fluorocarbons
  • Waste Water
  • Water Pollutants, Chemical