title: FTICR-MS and LC-UV/MS-SPE-NMR applications for the rapid dereplication of a crude extract from the sponge Ianthella flabelliformis.
abstract: Dereplication of a methanolic extract of the marine sponge Ianthella flabelliformis using FTICR-MS accurate mass determination and MS(n) techniques enabled rapid and unambiguous detection of a new compound among a plethora of known compounds. Isolation of this compound and the known 19-deoxy analogue using the hyphenated technique LC-UV/MS-SPE-NMR was undertaken, and the structures were confirmed, from a single chromatographic run, as 19-hydroxyaraplysillin-I N(20)-sulfamate (1) and araplysillin-I N(20)-sulfamate (2).
authors.affiliation: Australian Institute of Marine Science, Australia. C.Motti@aims.gov.au
authors.forename: Cherie A
authors.initials: CA
authors.lastname: Motti
authors.forename: Marnie L
authors.initials: ML
authors.lastname: Freckelton
authors.forename: Dianne M
authors.initials: DM
authors.lastname: Tapiolas
authors.forename: Richard H
authors.initials: RH
authors.lastname: Willis
mesh_terms: D000818:Animals; D002853:Chromatography, Liquid / Q000379:methods*; D006842:Hydrocarbons, Brominated / Q000737:chemistry / Q000302:isolation & purification*; D007555:Isoxazoles / Q000737:chemistry / Q000302:isolation & purification*; D008386:Marine Biology; D015394:Molecular Structure; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D011161:Porifera / Q000737:chemistry*
chemical_list: C550403:19-hydroxyaraplysillin-I N(20)-sulfamate; D006842:Hydrocarbons, Brominated; D007555:Isoxazoles; C550402:araplysillin-I N(20)-sulfamate