Liquid chromatography high-resolution TOF analysis: Investigation of MSEfor broad-spectrum drug screening

Clinical Chemistry

Volumn 60, Issue 8, 2014, Pages 1115-1125

  Chindarkar, Nandkishor S ^a   Wakefield, Michael R ^b   Stone, Judith A ^a   Fitzgerald, Robert L ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b WATERS CORPORATION   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMITRIPTYLINE; AMPHETAMINE; ATENOLOL; BUPRENORPHINE; CARISOPRODOL; CITALOPRAM; CODEINE; CYCLOBENZAPRINE; DEXTROMETHORPHAN; DIAZEPAM; DILTIAZEM; DOXEPIN; FENTANYL; FLUNITRAZEPAM; HYDROCODONE; KETAMINE; LORAZEPAM; MEPROBAMATE; METHYLPHENIDATE; METOPROLOL; MORPHINE; MORPHINE 6 ACETATE; NORBUPRENORPHINE; NORDAZEPAM; NORPETHIDINE; OXYCODONE; PETHIDINE; QUETIAPINE; UNINDEXED DRUG; VENLAFAXINE;

ARTICLE; DRUG SCREENING; HUMAN; HYDROLYSIS; LIQUID LIQUID EXTRACTION; METHODOLOGY; PROTON TRANSPORT; SOLID PHASE EXTRACTION; TIME OF FLIGHT MASS SPECTROMETRY; ULTRA PERFORMANCE LIQUID CHROMATOGRAPHY;

CHROMATOGRAPHY, LIQUID; DRUG MONITORING; HEALTHY VOLUNTEERS; HUMANS; LIMIT OF DETECTION; MASS SPECTROMETRY;

EID: 84905216643     PISSN: 00099147     EISSN: 15308561     Source Type: Journal    
DOI: 10.1373/clinchem.2014.222976     Document Type: Article

References (17)

1. Decaestecker TN, Clauwaert KM, Van Bocxlaer JF, Lambert WE, Van den Eeckhout EG, Van Peteghem CH et al. Evaluation of automated single mass spectrometry to tandem mass spectrometry function switching for comprehensive drug profiling analysis using a quadrupole time-of-flight mass spectrometer. Rapid Commun Mass Spectrom 2000;14:1787-92.
2. Gergov M, Boucher B, Ojanpera I, Vuori E. Toxicological screening of urine for drugs by liquid chromatography/time-of-flight mass spectrometry with automated target library search based on elemental formulas. Rapid Commun Mass Spectrom 2001;15:521- 6.
3. Chindarkar NS, Stone J, Warren EC, Fitzgerald RL. High-resolution accurate mass LC-MS in clinical toxicology. In: Applications of high-resolution mass spectrometry in drug discovery and development. London: Future Science 2013:42-57.
4. Ojanpera I, Kolmonen M, Pelander A. Current use of high-resolution mass spectrometry in drug screening relevant to clinical and forensic toxicology and doping control. Anal Bioanal Chem 2012;403:1203-20.
5. Ojanpera L, Pelander A, Laks S, Gergov M, Vuori E, Witt M. Application of accurate mass measurement to urine drug screening. J Anal Toxicol 2005;29:34-40. (Pubitemid 40128943)
6. Pelander A, Ojanpera I, Laks S, Rasanen I, Vuori E. Toxicological screening with formula-based metabolite identification by liquid chromatography/time-of-flight mass spectrometry. Anal Chem 2003;75:5710-8. (Pubitemid 37356451)
7. Ojanpera S, Pelander A, Pelzing M, Krebs I, Vuori E, Ojanpera I. Isotopic pattern and accurate mass determination in urine drug screening by liquid chromatography/time-of-flight mass spectrometry. Rapid Commun Mass Spectrom 2006;20:1161-7.
8. Crews BO, Pesce AJ, West R, Nguyen H, Fitzgerald RL. Evaluation of high-resolution mass spectrometry for urine toxicology screening in a pain management setting. J Anal Toxicol 2012;36:601-7.
9. Polettini A, Gottardo R, Pascali JP, Tagliaro F. Implementation and performance evaluation of a database of chemical formulas for the screening of pharmaco/toxicologically relevant compounds in biological samples using electrospray ionization-time-of-flight mass spectrometry. Anal Chem 2008;80:3050-7. (Pubitemid 351556475)
10. Kind T, Fiehn O. Seven golden rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry. BMC Bioinformatics 2007;8:105.
11. Dominguez-Romero JC, Garcia-Reyes JF, Molina-Diaz A. Screening and quantitation of multiclass drugs of abuse and pharmaceuticals in hair by fast liquid chromatography electrospray time-of-flight mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci 2011;879:2034-42.
12. Pavlic M, Libiseller K, Oberacher H. Combined use of ESI-QqTOF-MS and ESI-QqTOF-MS/MS with mass-spectral library search for qualitative analysis of drugs. Anal Bioanal Chem 2006;386:69-82. (Pubitemid 44268051)
13. Decaestecker TN, Vande Casteele SR, Wallemacq PE, Van Peteghem CH, Defore DL, Van Bocxlaer JF. Information-dependent acquisition-mediated LCMS/MS screening procedure with semiquantitative potential. Anal Chem 2004;76:6365-73. (Pubitemid 39458470)
14. Bateman KP, Castro-Perez J, Wrona M, Shockcor JP, Yu K, Oballa R et al. MSE with mass defect filtering for in vitro and in vivo metabolite identification. Rapid Commun Mass Spectrom 2007;21:1485-96. (Pubitemid 46761970)
15. Grebe SK, Singh RJ. LC-MS/MS in the clinical laboratory: where to from here? Clin Biochem Rev 2011;32:5-31.
16. Broecker S, Herre S, Wust B, Zweigenbaum J, Pragst F. Development and practical application of a library of CID accurate mass spectra of more than 2,500 toxic compounds for systematic toxicological analysis by LC-QTOF-MS with datadependent acquisition. Anal Bioanal Chem 2011;400:101-17.
17. Society of Forensic Toxicologists/American Academy of Forensic Sciences. SOFT/AAFS forensic laboratory guidelines. http://www.soft-tox.org/files/ Guidelines-2006-Final.pdf (Accessed April 2014).