UPLC-MS-IT-TOF Identification of Circumdatins Produced by Aspergillus ochraceus

A method based on the combined use of ultraperformance liquid chromatography coupled to mass spectrometry–ion trap–time-of-flight (UPLC–MS–IT–TOF) detection was employed to identify the metabolite production of Aspergillus ochraceus, which is the major cause of food and feed contamination due to ochratoxin A. Under the proposed chromatographic conditions, seven metabolites belonging to the family of circumdatins were separated and identified. Their initial identification was performed through the exact molecular formula, as a function of their accurate mass. Collision-induced dissociation was applied to predict precursor and product ions, and the elemental composition of each compound was obtained. The elimination of nitrogenous groups followed by successive losses of carbonyl groups is the common fragmentation pathway of circumdatins. With the fragmentation data obtained, an UPLC–MS/MS method was created and optimized to detect circumdatins in corn samples.