title: LC-NMR and LC-MS identification of an impurity in a novel antifungal drug icofungipen.
abstract: Successful use of LC-NMR and LC-MS for rapid identification of an impurity in a novel antifungal drug icofungipen has been demonstrated. Complementary information obtained from the two methods made it possible to determine the structure of A1 prior to its isolation and purification. Stop-flow LC-NMR ((1)H and DQFCOSY), LC-MS and LC-MS/MS spectra have shown that A1 is structurally related to icofungipen. It was later isolated and prepared synthetically and its structure was corroborated by high-resolution NMR spectroscopy.
authors.affiliation: Department of Chemistry, University of Zagreb, Croatia. pnovak@chem.pmf.hr
authors.forename: Predrag
authors.initials: P
authors.lastname: Novak
authors.forename: Predrag
authors.initials: P
authors.lastname: Tepes
authors.forename: Marina
authors.initials: M
authors.lastname: Ilijas
authors.forename: Ines
authors.initials: I
authors.lastname: Fistrić
authors.forename: Igor
authors.initials: I
authors.lastname: Bratos
authors.forename: Amir
authors.initials: A
authors.lastname: Avdagić
authors.forename: Zdenko
authors.initials: Z
authors.lastname: Hamersak
authors.forename: Vesna Gabelica
authors.initials: VG
authors.lastname: Marković
authors.forename: Miljenko
authors.initials: M
authors.lastname: Dumić
mesh_terms: D000935:Antifungal Agents / Q000737:chemistry*; D002853:Chromatography, Liquid / Q000379:methods*; D003515:Cycloleucine / Q000031:analogs & derivatives* / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D013058:Mass Spectrometry / Q000379:methods*
chemical_list: D000935:Antifungal Agents; D003515:Cycloleucine; C114614:2-amino-4-methylenecyclopentane-1-carboxylic acid