Identifying Fenton-Reacted Trimethoprim Transformation Products Using Differential Mobility Spectrometry
Autor: | Jarrod Psutka, Thorsten Dieckmann, W. Scott Hopkins, Annick Dion-Fortier, Pedro A. Segura, J. Larry Campbell |
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Rok vydání: | 2018 |
Předmět: |
Collision-induced dissociation
Chemistry Ion-mobility spectrometry fungi 010401 analytical chemistry 010501 environmental sciences Tandem mass spectrometry Mass spectrometry 01 natural sciences Small molecule Trimethoprim 0104 chemical sciences Analytical Chemistry Fragmentation (mass spectrometry) Computational chemistry Tandem Mass Spectrometry Ion Mobility Spectrometry Structural isomer Density functional theory Density Functional Theory 0105 earth and related environmental sciences |
Zdroj: | Analytical chemistry. 90(8) |
ISSN: | 1520-6882 |
Popis: | A transformation product of trimethoprim, a contaminant of emerging concern in the environment, is generated using an electro-assisted Fenton reaction and analyzed using differential mobility spectrometry (DMS) in combination with MS/MS techniques and quantum chemical calculations to develop a rapid method for identification. DMS is used as a prefilter to separate positional isomers prior to subsequent identification by mass spectrometric analyses. Collision induced dissociation of each DMS separated species is used to reveal fragmentation patterns that can be correlated to specific isomer structures. Analysis of the experimental data and supporting quantum chemical calculations show that methylene-hydroxylated and methoxy-containing phenyl ring hydroxylated transformation products are observed. The proposed methodology outlines a high-throughput technique to determine transformation products of small molecules accurately, in a short time and requiring minimal sample concentrations ( |
Databáze: | OpenAIRE |
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