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Characterization of DON and DON-3-β-D-glucopyranoside through accurate mass measurement by quadrupole-time-of-flight mass spectrometry

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This work reports the characterization of deoxynivalenol (DON) and its plant detoxification phase II conjugate, deoxynivalenol-3-β-D-glucopyranoside (DON-3-β-D-Glc) through high resolution and accurate mass measurement technique. That was carried out by ultra performance liquid chromatography-quadrupole orthogonal acceleration time-of-flight mass spectrometry (ULPC-Q-oa-TOF/MS) with electrospray at positive and negative modes for unequivocal identification. Elemental composition along with calculated mass, mass deviation, double bond equivalent and isotope fit value were used for identification and confirmation of the compounds, apart from retention time. The best instrumental conditions for both compounds ionization were optimized. Their characteristic spectra (molecular, adducts, isotopes and other ions) were identified. The following abundant isotope ions detected for DON and DON-3-β-D-Glc at positive mode were: 297.1338 m/z [DON + H]+ and 297.1338 and 459.1866 m/z [DON+H and DON-3-β-D-Glc]+, respectively. At negative mode they were: 341.1236 m/z [DON-HCOOH] and 503.1765 m/z [DON-3-β-D-Glc-HCOOH], both formate adducts. The chromatographic run was as short as 4.0 minutes. In terms of selectivity, the ULPC-Q-oa-TOF/MS showed outstanding performance with the possibility of identification of additional unknown, non-targeted compounds, utilizing MetaboLynx software for oats extract.
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Keywords: DON-3-β-D-glucopyranoside; Q-TOF; UPLC; conjugated DON; deoxynivalenol; masked toxins; mass spectrometry

Document Type: Research Article

Affiliations: 1: Food Science and Technology Department,Centre of Agricultural Sciences, Federal University of Santa Catarina, Rod. Admar Gonzaga, 1346Florianopolis,SC, Brazil 2: Chemistry and Toxicology Research Unit, Finnish Food Safety Authority (Evira), Helsinki, Finland

Publication date: January 1, 2013

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