title: Mass spectral characterization of ergot alkaloids by electrospray ionization, hydrogen/deuterium exchange, and multiple stage mass spectrometry: Usefulness of precursor ion scan experiments.
abstract: Six ergot alkaloids belonging to the lysergic acid derivatives (ergonovine (EGN) and methysergide hydrogen maleinate (MHM)) and peptide-type derivatives (ergocristine (EGR), ergotamine (EGT), ergocornine (EGC) and alpha-ergokryptine (EGK)) were studied by positive electrospray tandem mass spectrometry. The fragmentation mechanisms of these compounds were studied by collision-induced dissociation (CID) using triple quadrupole and ion trap mass spectrometers, and the nature of the major product ions further confirmed by hydrogen/deuterium (H/D) exchange experiments. A common abundant product ion at m/z 223 was characteristic of the two classes of ergot alkaloids. Therefore, a precursor ion scan of m/z 223 that triggers information data acquisition (IDA) in combination with CID experiments was used to identify other potential ergot alkaloids. Using this approach, it was possible to confirm the presence of ergosine, another peptide-type ergot alkaloid, in a rye flour extract at trace levels.
authors.affiliation: Department of Quality and Safety Assurance, Nestlé Research Center, Nestec Ltd., PO Box 44, Vers-chez-les-Blanc, 1000 Lausanne 26, Switzerland.
authors.forename: Rayane
authors.initials: R
authors.lastname: Mohamed
authors.forename: Eric
authors.initials: E
authors.lastname: Gremaud
authors.forename: Jean-Claude
authors.initials: JC
authors.lastname: Tabet
authors.forename: Philippe A
authors.initials: PA
authors.lastname: Guy
mesh_terms: D003903:Deuterium / Q000737:chemistry*; D004876:Ergot Alkaloids / Q000737:chemistry*; D005433:Flour / Q000032:analysis; D005506:Food Contamination; D015394:Molecular Structure; D012434:Secale / Q000737:chemistry / Q000382:microbiology; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D053719:Tandem Mass Spectrometry / Q000379:methods*
chemical_list: D004876:Ergot Alkaloids; D003903:Deuterium