title: Fungal metabolite screening: database of 474 mycotoxins and fungal metabolites for dereplication by standardised liquid chromatography-UV-mass spectrometry methodology.
abstract: A standardised LC-UV-MS micro-scale method for screening of fungal metabolites and mycotoxins in culture extracts is presented. The paper includes data for detection and dereplication of > 400 fungal metabolites to facilitate detection and identification when standards are not available. The data also shows the types of components that can be analysed by positive electrospray (ESI+) mass spectrometry (MS) along with common fragments and adducts of these, as well as giving suggestions on whether UV or ESI+-MS methods should be used. Examples of dereplication of penitrems and macro-cyclic ichothecenes, and detection of several novel compounds are shown. This was done by UV spectroscopy combined with accurate mass determination of adduct and fragment ions obtained by high-resolution orthogonal time-of-flight MS.
authors.affiliation: Mycology Group, Technical University of Denmark, Building 221, DK-2800 Kgs. Lyngby, Denmark. kfn@biocentrum.dtu.dk
authors.forename: Kristian Fog
authors.initials: KF
authors.lastname: Nielsen
authors.forename: Jørn
authors.initials: J
authors.lastname: Smedsgaard
mesh_terms: D002853:Chromatography, Liquid / Q000379:methods*; D005658:Fungi / Q000378:metabolism*; D009183:Mycotoxins / Q000145:classification*; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D013056:Spectrophotometry, Ultraviolet / Q000379:methods*
chemical_list: D009183:Mycotoxins