Structural characterization of sulfadiazine metabolites using H/D exchange combined with various MS/MS experiments |
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Authors: | Email author" target="_blank">Thomas?PfeiferEmail author Jochen?Tuerk Regine?Fuchs |
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Institution: | Metabolite Service, Radebeul, Germany. thomas.pfeifer@elbion.de |
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Abstract: | Two major metabolites and one minor metabolite of sulfadiazine were found in pig manure, using a special combination of different MS techniques like parent and product ion scans, H/D exchange, accurate mass measurement, and MS/MS experiments with substructures. N4-acetylsulfadiazine and 4-hydroxysulfadiazine were identified as major metabolites. N4-acetylsulfadiazine could be verified by H/D exchange and comparison with product ion spectra of a synthetic reference compound. In the case of 4-hydroxysulfadiazine, the majority of possible isomers could be discounted after H/D exchange. Substructure-specific MS/MS experiments with fragment ions and comparison with product ion spectra of two references revealed the presence of 4-hydroxysulfadiazine. The minor metabolite was characterized to some degree using H/D exchange and tandem mass spectrometry in combination with a high-resolution time of flight mass spectrometer. The aminopyrimidine moiety contained an additional modification with a likely elemental composition of C2H4O and no further acidic hydrogen. |
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