title: High-resolution mass spectrometry method for the detection, characterization and quantitation of pharmaceuticals in water.
abstract: The presence of pharmaceuticals in drinking water is an emerging environmental concern. In most environmental testing laboratories, LC-MS/MS assays based on selected reaction monitoring are used as part of a battery of tests used to assure water quality. Although LC-MS/MS continues to be the best tool for detecting pharmaceuticals in water, the combined use of hybrid high-resolution mass spectrometry (HRMS) and ultrahigh pressure liquid chromatography (UHPLC) is starting to become a practical tool to study emerging environmental contaminants. The hybrid LTQ-orbitrap mass spectrometer is suitable for integrated quantitative and qualitative bioanalysis because of the following reasons: (1) the ability to collect full-scan HRMS spectra with scan speeds suitable for UHPLC separations, (2) routine measurement of mass with less than 5 ppm mass accuracy, (3) high mass resolving power, and (4) ability to perform on-the-fly polarity switching in the linear ion trap (LTQ). In the present work, we provide data demonstrating the application of UHPLC-LTQ-orbitrap for the detection, characterization and quantification of pharmaceuticals and their metabolites in drinking water.
authors: New Jersey Center for Science, Technology, and Mathematics, Kean University, 1000 Morris Avenue, Union, NJ 07083, USA.
authors: Rebeca
authors: R
authors: Pinhancos
authors: Sara
authors: S
authors: Maass
authors: Dil M
authors: DM
authors: Ramanathan
mesh_terms: D002110:Caffeine / Q000032:analysis; D002853:Chromatography, Liquid / Q000379:methods*; D060766:Drinking Water / Q000737:chemistry*; D004355:Drug Stability; D016014:Linear Models; D004364:Pharmaceutical Preparations / Q000032:analysis* / Q000302:isolation & purification; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D053719:Tandem Mass Spectrometry / Q000379:methods*; D013806:Theophylline / Q000032:analysis; D014874:Water Pollutants, Chemical / Q000032:analysis* / Q000302:isolation & purification
chemical_list: D060766:Drinking Water; D004364:Pharmaceutical Preparations; D014874:Water Pollutants, Chemical; D002110:Caffeine; D013806:Theophylline; C021183:1,7-dimethylxanthine