title: Targeted analysis with benchtop quadrupole-orbitrap hybrid mass spectrometer: application to determination of synthetic hormones in animal urine.
abstract: Sensitive and unequivocal determination of analytes/contaminants in complex matrices is a challenge in the field of food safety control. In this study, various acquisition modes (Full MS/AIF, Full MS+tMS/MS, Full MS/dd MS/MS and tSIM/ddMS/MS) and parameters of a quadrupole-orbitrap hybrid mass spectrometer (Q Exactive) were studied in detail. One of the main conclusions has been that, reducing the scan range for Full MS (using the quadrupole) and targeted modes give higher signal-to-noise (S/N) ratios and thereby better detection limits for analytes in matrix. The use of Q Exactive in a complex case, for the confirmatory analysis of hormones in animal urine is presented. A targeted SIM data dependent MS/MS (tSIM/ddMS/MS) acquisition method for determination of eight synthetic hormones (trenbolone, 17α ethinylestradiol, zeranol, stanozolol, dienestrol, diethylstilbestrol, hexestrol, taleranol) and a naturally occurring hormone (zearalenone) in animal urine were optimized to have sensitive precursors from targeted SIM mode and trigger MS/MS scans over the entire chromatograph peak. The method was validated according to EC/657/2002. CCα (decision limit) for the analytes ranged between 0.11 μg L(-1) and 0.69 μg L(-1) and CCβ (detection capability) ranged between 0.29 μg L(-1) and 0.90 μg L(-1).
authors.affiliation: Departament de Química Analítica, Universitat de Barcelona, Barcelona, Spain.
authors.forename: Praveen
authors.initials: P
authors.lastname: Kumar
authors.forename: Antoni
authors.initials: A
authors.lastname: Rúbies
authors.forename: Francesc
authors.initials: F
authors.lastname: Centrich
authors.forename: Mercè
authors.initials: M
authors.lastname: Granados
authors.forename: Nuria
authors.initials: N
authors.lastname: Cortés-Francisco
authors.forename: Josep
authors.initials: J
authors.lastname: Caixach
authors.forename: Ramon
authors.initials: R
authors.lastname: Companyó
mesh_terms: D000818:Animals; D002417:Cattle / Q000652:urine*; D006728:Hormones / Q000737:chemistry* / Q000652:urine*; D013058:Mass Spectrometry / Q000295:instrumentation* / Q000379:methods
chemical_list: D006728:Hormones