FN Archimer Export Format PT J TI Differentiation of gonyautoxins by ion mobility - mass spectrometry; a cationization study BT AF POYER, Salome LOUTELIER-BOURHIS, Corinne TOGNETTI, Vincent JOUBERT, Laurent ENCHE, Julien BOSSEE, Anne MONDEGUER, Florence HESS, Philipp AFONSO, Carlos AS 1:1,2;2:1,2;3:1,2;4:1,2;5:4;6:4;7:3;8:3;9:1,2; FF 1:;2:;3:;4:;5:;6:;7:PDG-ODE-DYNECO-PHYC;8:PDG-ODE-DYNECO-PHYC;9:; C1 Normandie Univ, COBRA, UMR 6014, 1 Rue Tesniere, F-76821 Mont St Aignan, France. Univ Rouen, INSA Rouen, CNRS, FR 3038,IRCOF, 1 Rue Tesniere, F-76821 Mont St Aignan, France. IFREMER, Lab Phycotoxines, F-44311 Nantes 03, France. DGA Maitrise NRBC, Dept Anal Chim, F-91710 Vert Le Petit, France. C2 UNIV ROUEN, FRANCE UNIV ROUEN, FRANCE IFREMER, FRANCE DGA MAITRISE NRBC, FRANCE SI NANTES SE PDG-ODE-DYNECO-PHYC IN WOS Ifremer jusqu'en 2018 copubli-france copubli-univ-france IF 1.702 TC 8 UR https://archimer.ifremer.fr/doc/00317/42863/42291.pdf LA English DT Article DE ;Ion mobility;Gonyautoxin;Collision cross-section;Alkali adduct AB Gonyautoxins are potent natural neurotoxic analogues of saxitoxin. Due to their biological activity and submilligram lethal dose for man, fast and efficient methods are required for their characterization. Recent advances in ion mobility-mass spectrometry (IM-MS) showed that differentiation of isomers could be achieved using specific experimental conditions involving particular buffer gases as well as cationic species. In this work, IM-MS experiments were carried out using alkali metal ions (Met = Li+, Na+ or K+) and different buffer gases (N2, N2O and CO2) to improve the differentiation of gonyautoxin isomers. The separation of [GTX + Met]+ ion was achieved for GTX2/3 and GTX1/4 from their Na or K adducts. For dcGTX2/3, the ion mobility separation can only be obtained with peak to peak resolution (Rp-p) close to 1 from the [GTXs + Met − H2O]+ species. To understand the gas phase conformation of the different diastereomers, density functional theory (DFT) calculations were performed. IM separation, and collision cross sections on [GTXs + Met]+ and [GTXs + Met − H2O]+ are reported for the first time. PY 2016 PD MAY SO International Journal Of Mass Spectrometry SN 1387-3806 PU Elsevier Science Bv VL 402 UT 000376544900003 BP 20 EP 28 DI 10.1016/j.ijms.2016.02.013 ID 42863 ER EF