Combination of LC/TOF-MS and LC/Ion Trap MS/MS for the Identification of Diphenhydramine in Sediment Samples
- 3 February 2004
- journal article
- research article
- Published by American Chemical Society (ACS) in Analytical Chemistry
- Vol. 76 (5) , 1437-1444
- https://doi.org/10.1021/ac034794m
Abstract
Diphenhydramine (Benadryl) is a popular over-the-counter antihistaminic medication used for the treatment of allergies. After consumption, excretion, and subsequent discharge from wastewater treatment plants, it is possible that diphenhydramine will be found in environmental sediments due to its hydrophobicity (log P = 3.27). This work describes a methodology for the first unequivocal determination of diphenhydramine bound to environmental sediments. The drug is removed from the sediments by accelerated solvent extraction and then analyzed by liquid chromatography with a time-of-flight mass spectrometer and an ion trap mass spectrometer. This combination of techniques provided unequivocal identification and confirmation of diphenhydramine in two sediment samples. The accurate mass measurements of the protonated molecules were m/z 256.1703 and 256.1696 compared to the calculated mass of m/z 256.1701, resulting in errors of 0.8 and 2.3 ppm. This mass accuracy was sufficient to verify the elemental composition of diphenhydramine in each sample. Furthermore, accurate mass measurements of the primary fragment ion were obtained. This work is the first application of time-of-flight mass spectrometry for the identification of diphenhydramine and shows the accumulation of an over-the-counter medication in aquatic sediments at five different locations.Keywords
This publication has 11 references indexed in Scilit:
- Response to Comment on “Pharmaceuticals, Hormones, and Other Organic Wastewater Contaminants in U.S. Streams, 1999−2000: A National Reconnaissance”Environmental Science & Technology, 2002
- Environmental Exposure and Risk Assessment of Fluoroquinolone Antibacterial Agents in Wastewater and River Water of the Glatt Valley Watershed, SwitzerlandEnvironmental Science & Technology, 2002
- Determination of Estrogens in Sludge and Sediments by Liquid Extraction and GC/MS/MSAnalytical Chemistry, 2002
- Identification of glucuronide conjugates of ketobemidone and its phase I metabolites in human urine utilizing accurate mass and tandem time‐of‐flight mass spectrometryJournal of Mass Spectrometry, 2002
- Determination of neutral pharmaceuticals in wastewater and rivers by liquid chromatography–electrospray tandem mass spectrometryJournal of Chromatography A, 2001
- Determination of drugs in surface water and wastewater samples by liquid chromatography–mass spectrometry: methods and preliminary results including toxicity studies with Vibrio fischeriJournal of Chromatography A, 2001
- Accurate mass analysis of ethanesulfonic acid degradates of acetochlor and alachlor using high-performance liquid chromatography and time-of-flight mass spectrometryJournal of Chromatography A, 2001
- Screening and identification of unknown contaminants in water with liquid chromatography and quadrupole-orthogonal acceleration-time-of-flight tandem mass spectrometryJournal of Chromatography A, 2001
- Accurate mass determination of a metabolite of a potential diagnostic imaging drug candidate by high performance liquid chromatography with time-of-flight mass spectrometryRapid Communications in Mass Spectrometry, 1999
- Peer Reviewed: The New Time-of-Flight Mass Spectrometry.Analytical Chemistry, 1999