Implementing the Use of Collision Cross Section Database for Phycotoxin Screening Analysis Aparicio Muriana, María del Mar Lara Vargas, Francisco Jesús Olmo Iruela, María Monsalud Del Hernández Mesa, Maykel García Campaña, Ana María Righetti, Laura Ion mobility-mass spectrometry Collision cross section Cyanotoxins Phycotoxins CCS database BGA dietary supplements The increased consumption of blue-green algae (BGA)-based dietary supplements has raised concern about their food safety, especially about cyanotoxin presence. The hyphenation of liquid chromatography with ion mobility mass spectrometry represents a relevant tool to screen several compounds in a large variety of food matrices. In this work, ultrahigh-performance liquid chromatography coupled to traveling wave ion mobility spectrometry/quadrupole time-of-flight mass spectrometry (UHPLC-TWIMS-QTOF) was employed to establish the first comprehensive TWIMS-derived collision cross section database (TWCCSN2) for phycotoxins. The database included 20 cyanotoxins and 1 marine toxin. Accurate m/z, retention times, and TWCCSN2 values were obtained for 81 adducts in positive and negative electrospray (ESI+/ESI–) modes. Reproducibility and robustness of the TWCCSN2 measurements were determined to be independent of the matrix. A screening was carried out on 19 commercial BGA dietary supplements of different composition. Cyanotoxins were confidently identified in five samples based on retention time, m/z, and TWCCSN2. 2023-07-21T11:05:29Z 2023-07-21T11:05:29Z 2023-06-22 journal article J. Agric. Food Chem. 2023, 71, 26, 10178–10189[https://doi.org/10.1021/acs.jafc.3c01060] https://hdl.handle.net/10481/83914 10.1021/acs.jafc.3c01060 eng info:eu-repo/grantAgreement/EC/NextGenerationEU/PID2021-127804OB-I00 http://creativecommons.org/licenses/by/4.0/ open access Atribución 4.0 Internacional ACS Publications