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Kluger, B; Bueschl, C; Lemmens, M; Berthiller, F; Häubl, G; Jaunecker, G; Adam, G; Krska, R; Schuhmacher, R.
(2013): Stable isotopic labelling-assisted untargeted metabolic profiling reveals novel conjugates of the mycotoxin deoxynivalenol in wheat.
Anal Bioanal Chem. 2013; 405(15):5031-5036 FullText FullText_BOKU

Abstract:
An untargeted screening strategy for the detection of biotransformation products of xenobiotics using stable isotopic labelling (SIL) and liquid chromatography-high resolution mass spectrometry (LC-HRMS) is reported. The organism of interest is treated with a mixture of labelled and non-labelled precursor and samples are analysed by LC-HRMS. Raw data are processed with the recently developed MetExtract software for the automated extraction of corresponding peak pairs. The SIL-assisted approach is exemplified by the metabolisation of the Fusarium mycotoxin deoxynivalenol (DON) in planta. Flowering ears were inoculated with 100 mu g of a 1 + 1 (v/v) mixture of non-labelled and fully labelled DON. Subsequent sample preparation, LC-HRMS measurements and data processing revealed a total of 57 corresponding peak pairs, which originated from ten metabolites. Besides the known DON and DON-3-glucoside, which were confirmed by measurement of authentic standards, eight further DON-biotransformation products were found by the untargeted screening approach. Based on a mass deviation of less than +/- 5 ppm and MS/MS measurements, one of these products was annotated as DON-glutathione (GSH) conjugate, which is described here for the first time for wheat. Our data further suggest that two DON-GSH-related metabolites, the processing products DON-S-cysteine and DON-S-cysteinyl-glycine and five unknown DON conjugates were formed in planta. Future MS/MS measurements shall reveal the molecular structures of the detected conjugates in more detail.
Authors BOKU Wien:
Adam Gerhard
Berthiller Franz
Büschl Christoph
Kluger Bernhard
Krska Rudolf
Lemmens Marc
Schuhmacher Rainer
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Find related publications in this database (Keywords)
Metabolisation
Xenobiotics
Stable isotopic labelling
Deoxynivalenol
Liquid chromatography-high resolution mass spectrometry
Mycotoxin conjugate


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