title: Combined use of liquid chromatography triple quadrupole mass spectrometry and liquid chromatography quadrupole time-of-flight mass spectrometry in systematic screening of pesticides and other contaminants in water samples.
abstract: As a suitable way for routine screening of pesticides and control of other organic contaminants in water, the combination of liquid chromatography triple quadrupole tandem mass spectrometry (LC-QqQ-MS/MS) and liquid chromatography-hybrid quadrupole time-of-flight mass spectrometry (LC-QTOF-MS) has been applied to the analysis of 63 surface and waste water samples after conventional solid-phase extraction (SPE). The extracts were screened for 43 pesticides or degradation products by LC-QqQ-MS/MS achieving limits of detection (LOD) ranged from 0.04 to 2 ng L(-1). Of the 43 selected pesticides, 33 were detected in water samples. The ESI-QTOF MS instrument was run using two simultaneous acquisition functions with low and high collision energy (MS(E) approach) and acquiring the full mass spectra. A home-made database containing more than 1100 organic pollutants was used for substance identification. Around 250 of these compounds were available at the laboratory as reference standards. Five pesticides and 3 of their degradation products, different to those selected in the QqQ method, were detected by QqTOF-MS. Thirteen pharmaceuticals and two drugs of abuse were also identified in the samples. In practice, the sample preparation proved to be suitable for both techniques and for a wide variety of substances with different polarity. Mutual confirmation and evidence of co-occurrence of several other organic contaminants were the main advantages of the combination of both techniques.
authors: Environmental and Food Safety Research Group, Faculty of Pharmacy, University of Valencia, Av. Vicent Andrés Estellés s/n., 46100 Burjassot, València, Spain.
authors: A
authors: A
authors: Masiá
authors: M
authors: M
authors: Ibáñez
authors: C
authors: C
authors: Blasco
authors: J V
authors: JV
authors: Sancho
authors: Y
authors: Y
authors: Picó
authors: F
authors: F
authors: Hernández
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D057230:Limit of Detection; D010575:Pesticides / Q000032:analysis*; D052616:Solid Phase Extraction; D053719:Tandem Mass Spectrometry / Q000379:methods*; D014867:Water / Q000032:analysis; D014874:Water Pollutants, Chemical / Q000032:analysis*
chemical_list: D010575:Pesticides; D014874:Water Pollutants, Chemical; D014867:Water