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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

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Author: Nielen, M.W.F. · Engelen, M.C. van · Zuiderent, R. · Ramaker, R.
Institution: TNO Kwaliteit van Leven
Source:Analytica Chimica Acta, 1-2 SPEC. ISS., 586, 122-129
Identifier: 239897
doi: doi:10.1016/j.aca.2006.08.055
Keywords: Biology · Analytical research · Accurate mass · Criteria · Fourier transform mass spectrometry · Liquid chromatography mass spectrometry · Orbitrap · Residue analysis · Steroid · Cyclotron resonance · Data reduction · Liquid chromatography · Mass spectrometry · Veterinary medicine · Accurate mass · Fourier transform mass spectrometry · Orbitrap · Residue analysis · Steroid · Hormones · anabolic agent · beta adrenergic receptor stimulating agent · clenbuterol · hormone · stanozolol · accuracy · article · conceptual framework · false negative result · identification key · ion cyclotron resonance mass spectrometry · liquid chromatography · mass spectrometry · priority journal · residue analysis · screening · sex hormone determination · time of flight mass spectrometry · Animals · Chemistry, Analytical · Chromatography, Liquid · Clenbuterol · Cyclotrons · Drug Residues · Fourier Analysis · Ions · Mass Spectrometry · Models, Chemical · Reproducibility of Results · Sensitivity and Specificity · Spectrometry, Mass, Electrospray Ionization · Stanozolol · Steroids


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 β-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 β-agonist were fully confirmed by high resolution FT Orbitrap MSn 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. © 2006 Elsevier B.V. All rights reserved.