title: Universal method to determine acidic licit and illicit drugs and personal care products in water by liquid chromatography quadrupole time-of-flight.
abstract: Pharmaceuticals, illicit drugs and personal care products are emerging contaminants widely distributed in water. Currently, a number of solid-phase extraction (SPE) procedures followed by liquid chromatography tandem mass spectrometry (LC-MS/MS) have been reported. However, target analysis of selected compounds is commonly used whereas other related contaminants present in the sample remain invisible. Carmona et al. [1] described a method for determining 21 emerging contaminants by LC-MS/MS with improved mobile phases. We tested this protocol in combination with high resolution mass spectrometry using a quadrupole time-of-flight (QqTOF) instrument to get a wide non-target screening approach in order to have a broader scope and more practical method for detecting licit and illicit drugs and personal care products than traditional target methods. The essential points in the method are: •The screening capabilities of QqTOF (ABSciex Triple TOF™) are used for detecting and identifying non-target pharmaceuticals and a large number of other emerging contaminants in water.•The quantitative features of the instrument, the Achilles heel of the QqTOF mass spectrometers, are established for few selected compounds.•The method may be applied to identify a large number of emerging contaminants in water. However, pre-validation will be needed to quantify them.
authors.affiliation: Environmental and Food Safety Research Group (SAMA-UV), Desertification Research Centre CIDE (CSIC-UV-GV), Faculty of Pharmacy, University of Valencia, Av. Vicent Andrés Estellés s/n, Burjassot, 46100 Valencia, Spain.
authors.forename: María Jesús
authors.initials: MJ
authors.lastname: Andrés-Costa
authors.affiliation: Environmental and Food Safety Research Group (SAMA-UV), Desertification Research Centre CIDE (CSIC-UV-GV), Faculty of Pharmacy, University of Valencia, Av. Vicent Andrés Estellés s/n, Burjassot, 46100 Valencia, Spain.
authors.forename: Eric
authors.initials: E
authors.lastname: Carmona
authors.affiliation: Environmental and Food Safety Research Group (SAMA-UV), Desertification Research Centre CIDE (CSIC-UV-GV), Faculty of Pharmacy, University of Valencia, Av. Vicent Andrés Estellés s/n, Burjassot, 46100 Valencia, Spain.
authors.forename: Yolanda
authors.initials: Y
authors.lastname: Picó
keywords: High resolution mass spectrometry; Non-target screening by SPE and UHPLC quadrupole time-of-flight; UHPLC; emerging contaminants; identification; quantification; water