Identifying Fenton-Reacted Trimethoprim Transformation Products Using Differential Mobility Spectrometry.

Autor: Psutka JM; Department of Chemistry , University of Waterloo , Waterloo , Ontario N2L 3G1 , Canada., Dion-Fortier A; Department of Chemistry , Université de Sherbrooke , Sherbrooke , Quebec J1K 2R1 , Canada., Dieckmann T; Department of Chemistry , University of Waterloo , Waterloo , Ontario N2L 3G1 , Canada., Campbell JL; Department of Chemistry , University of Waterloo , Waterloo , Ontario N2L 3G1 , Canada.; SCIEX , 71 Four Valley Drive , Concord , Ontario L4K 4 V8 , Canada., Segura PA; Department of Chemistry , Université de Sherbrooke , Sherbrooke , Quebec J1K 2R1 , Canada., Hopkins WS; Department of Chemistry , University of Waterloo , Waterloo , Ontario N2L 3G1 , Canada.
Jazyk: angličtina
Zdroj: Analytical chemistry [Anal Chem] 2018 Apr 17; Vol. 90 (8), pp. 5352-5357. Date of Electronic Publication: 2018 Apr 03.
DOI: 10.1021/acs.analchem.8b00484
Abstrakt: 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 (<25 ng/mL).
Databáze: MEDLINE
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