This work was designed as a proof of concept, to demonstrate the successful use of the comparison between theoretical and experimental collision cross section (CCS) values to support the identification of isomeric forms. To this purpose, thirteen mycotoxins were considered and analyzed using drift time ion mobility mass spectrometry. A good linear correlation (r2 = 0.962) between theoretical and experimental CCS was found. The average ΔCCS was 3.2%, fully consistent with the acceptability threshold value commonly set at 5%. The agreement between theoretical and experimental CCS obtained for mycotoxin glucuronides suggested the potential of the CCS matching in supporting the annotation procedure.

Department of Food Analysis and Nutrition Faculty of Food and Biochemical Technology University of Chemistry and Technology Prague Technicka 3 166 28 Prague 6 Czech Republic

Department of Food Analysis and Nutrition Faculty of Food and Biochemical Technology University of Chemistry and Technology Prague Technicka 3 166 28 Prague 6 Czech Republic; Department of Food and Drug University of Parma Parco Area delle Scienze 17 A 43124 Parma Italy

Department of Food and Drug University of Parma Parco Area delle Scienze 17 A 43124 Parma Italy

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