title: Analytical strategy for determination of known and unknown destruxins using hybrid quadrupole-Orbitrap high-resolution mass spectrometry.
abstract: An analytical strategy based on a hybrid quadrupole-Orbitrap mass spectrometry was proposed for the simultaneous screening of known destruxins and characterization of potential members of this class of secondary metabolites, in order to evaluate the metabolite production of entomopathogenic fungi used as biocontrol agents. Initially, the fragmentation pathway of the known and commercially available destruxin A was established combining high resolution mass spectrometry (HRMS) and multiple stage MS data in order to obtain the strategy for the characterization of other destruxins for which reference standards were not available. Nineteen known destruxins including A, B, C, D, Ed, F, A1, B1, Ed1, A2, B2, D2, A3, DesmA, DesmB, DesmC, DesmB2, and two chloro-derivatives (Cl and E2chlorohydrin) were unequivocally identified in Metarhizium brunneum using the proposed strategy. In addition, four unknown destruxins, namely C1, Ed2, G, and G1, were structurally elucidated and characterized for the first time in this fungal strain.
authors.affiliation: Faculty of Pharmaceutical Sciences, Laboratory of Food Analysis, Ghent University, Ottergemsesteenweg 460, 9000, Ghent, Belgium. qa2arman@uco.es.|Department of Analytical Chemistry, University of Cordoba, Annex C3 Building, Campus of Rabanales, 14071, Cordoba, Spain. qa2arman@uco.es.
authors.forename: Natalia
authors.initials: N
authors.lastname: Arroyo-Manzanares
authors.affiliation: Faculty of Pharmaceutical Sciences, Laboratory of Food Analysis, Ghent University, Ottergemsesteenweg 460, 9000, Ghent, Belgium. Jose.DianaDiMavungu@UGhent.be.
authors.forename: José
authors.initials: J
authors.lastname: Diana Di Mavungu
authors.affiliation: Department of Agricultural and Forestry Sciences, ETSIAM, University of Cordoba, Building C4, Campus of Rabanales, 14071, Cordoba, Spain.
authors.forename: Inmaculada
authors.initials: I
authors.lastname: Garrido-Jurado
authors.affiliation: Department of Analytical Chemistry, University of Cordoba, Annex C3 Building, Campus of Rabanales, 14071, Cordoba, Spain.
authors.forename: Lourdes
authors.initials: L
authors.lastname: Arce
authors.affiliation: Faculty of Veterinary Medicine, Department of Veterinary Public Health and Food Safety, Laboratory of Chemical Analysis, Ghent University, Salisburylaan 133, 9820, Merelbeke, Belgium.
authors.forename: Lynn
authors.initials: L
authors.lastname: Vanhaecke
authors.affiliation: Department of Agricultural and Forestry Sciences, ETSIAM, University of Cordoba, Building C4, Campus of Rabanales, 14071, Cordoba, Spain.
authors.forename: Enrique
authors.initials: E
authors.lastname: Quesada-Moraga
authors.affiliation: Faculty of Pharmaceutical Sciences, Laboratory of Food Analysis, Ghent University, Ottergemsesteenweg 460, 9000, Ghent, Belgium.
authors.forename: Sarah
authors.initials: S
authors.lastname: De Saeger
mesh_terms: D047630:Depsipeptides / Q000737:chemistry*; D013058:Mass Spectrometry / Q000379:methods*; D052981:Metarhizium / Q000737:chemistry; D015394:Molecular Structure
chemical_list: D047630:Depsipeptides
keywords: Destruxins identification; Fragmentation pathway; Hybrid quadrupole-Orbitrap; Untargeted analysis