title: Screening and confirmation criteria for hormone residue analysis using liquid chromatography accurate mass time-of-flight, Fourier transform ion cyclotron resonance and orbitrap mass spectrometry techniques.
abstract: An emerging trend is recognised in hormone and veterinary drug residue analysis from liquid chromatography tandem mass spectrometry (LC/MS/MS) based screening and confirmation towards accurate mass alternatives such as LC coupled with time-of-flight (TOF), Fourier transform ion cyclotron resonance (FTICR) or Fourier transform orbitrap (FT Orbitrap) MS. In this study, mass resolution and accuracy are discussed for LC/MS screening and confirmation of targeted analytes and for the identification of unknowns using the anabolic steroid stanozolol and the designer beta-agonist "Clenbuterol-R" as model substances. It is shown theoretically and experimentally that mass accuracy criteria without proper mass resolution criteria yield false compliant (false negative) results, both in MS screening and MS/MS confirmation of stanozolol. On the other hand, previous medium resolution accurate mass TOFMS/MS data of the designer beta-agonist were fully confirmed by high resolution FT Orbitrap MS(n) experiments. A discussion is initiated through a proposal for additional criteria for the use of accurate mass LC/MS technologies, to be implemented in Commission Decision 2002/657/EC.
authors: RIKILT Institute of Food Safety, P.O. Box 230, 6700 AE Wageningen, The Netherlands. michel.nielen@wur.nl
authors: M W F
authors: MW
authors: Nielen
authors: M C
authors: MC
authors: van Engelen
authors: R
authors: R
authors: Zuiderent
authors: R
authors: R
authors: Ramaker
mesh_terms: D000818:Animals; D002623:Chemistry Techniques, Analytical / Q000379:methods*; D002853:Chromatography, Liquid / Q000379:methods*; D002976:Clenbuterol / Q000737:chemistry; D017357:Cyclotrons; D004350:Drug Residues / Q000032:analysis*; D005583:Fourier Analysis; D007477:Ions; D013058:Mass Spectrometry / Q000379:methods*; D008956:Models, Chemical; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods; D013197:Stanozolol / Q000032:analysis; D013256:Steroids / Q000032:analysis*
chemical_list: D007477:Ions; D013256:Steroids; D013197:Stanozolol; D002976:Clenbuterol