메뉴 건너뛰기




Volumn 400, Issue 1, 2011, Pages 101-117

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 data-dependent acquisition

Author keywords

Accurate mass spectra library; Collision induced dissociation; Liquid chromatography; Peak identification; Systematic toxicological analysis; Time of flight mass spectrometry

Indexed keywords

ACCURATE MASS; COLLISION-INDUCED DISSOCIATION; PEAK IDENTIFICATION; SYSTEMATIC TOXICOLOGICAL ANALYSIS; TIME OF FLIGHT MASS SPECTROMETRY;

EID: 79954441243     PISSN: 16182642     EISSN: 16182650     Source Type: Journal    
DOI: 10.1007/s00216-010-4450-9     Document Type: Article
Times cited : (181)

References (41)
  • 2
    • 10044283911 scopus 로고    scopus 로고
    • Systematic toxicological analysis by high-performance liquid chromatography with diode array detection (HPLC-DAD)
    • DOI 10.1515/CCLM.2004.251
    • F Pragst M Herzler B-T Erxleben 2004 Clin Chem Lab Med 42 1325 1340 10.1515/CCLM.2004.251 1:CAS:528:DC%2BD2cXhtVGqtbbI (Pubitemid 39600333)
    • (2004) Clinical Chemistry and Laboratory Medicine , vol.42 , Issue.11 , pp. 1325-1340
    • Pragst, F.1    Herzler, M.2    Erxleben, B.-T.3
  • 3
    • 14844312891 scopus 로고    scopus 로고
    • Multi-analyte procedures for screening for and quantification of drugs in blood, plasma, or serum by liquid chromatography-single stage or tandem mass spectrometry (LC-MS or LC-MS/MS) relevant to clinical and forensic toxicology
    • DOI 10.1016/j.clinbiochem.2005.01.014, LC Mass Spectrometry: Recent Development in Clinical Chemistry
    • HH Maurer 2005 Clin Biochem 38 310 318 10.1016/j.clinbiochem.2005.01.014 1:CAS:528:DC%2BD2MXit1Citbc%3D (Pubitemid 40342861)
    • (2005) Clinical Biochemistry , vol.38 , Issue.4 , pp. 310-318
    • Maurer, H.H.1
  • 4
    • 34547294263 scopus 로고    scopus 로고
    • Current role of liquid chromatography-mass spectrometry in clinical and forensic toxicology
    • DOI 10.1007/s00216-007-1248-5, Analytical Toxicol
    • HH Maurer 2007 Anal Bioanal Chem 388 1315 1325 10.1007/s00216-007-1248-5 1:CAS:528:DC%2BD2sXnsVeqtrk%3D (Pubitemid 47150863)
    • (2007) Analytical and Bioanalytical Chemistry , vol.388 , Issue.7 , pp. 1315-1325
    • Maurer, H.H.1
  • 7
    • 0036146706 scopus 로고    scopus 로고
    • Is LC-MS suitable for a comprehensive screening of drugs and poisons in clinical toxicology?
    • DOI 10.1097/00007691-200202000-00020
    • P Marquet 2002 Ther Drug Monit 24 125 133 10.1097/00007691-200202000- 00020 1:CAS:528:DC%2BD38XhsVOitLY%3D (Pubitemid 34106741)
    • (2002) Therapeutic Drug Monitoring , vol.24 , Issue.1 , pp. 125-133
    • Marquet, P.1
  • 10
    • 14844312890 scopus 로고    scopus 로고
    • LC-MS/MS systematic toxicological analysis: Comparison of MS/MS spectra obtained with different instruments and settings
    • DOI 10.1016/j.clinbiochem.2004.11.003, LC Mass Spectrometry: Recent Development in Clinical Chemistry
    • R Jansen G Lachatre P Marquet 2005 Clin Biochem 38 362 372 10.1016/j.clinbiochem.2004.11.003 1:CAS:528:DC%2BD2MXit1Ciuro%3D (Pubitemid 40342866)
    • (2005) Clinical Biochemistry , vol.38 , Issue.4 , pp. 362-372
    • Jansen, R.1    Lachatre, G.2    Marquet, P.3
  • 11
    • 33748316481 scopus 로고    scopus 로고
    • Screening of drugs and toxic compounds with liquid chromatography-linear ion trap tandem mass spectrometry
    • DOI 10.1373/clinchem.2006.067116
    • FL Sauvage F Saint-Marcoux B Duretz D Deporte G Lachatre P Marquet 2006 Clin Chem 52 1735 1742 10.1373/clinchem.2006.067116 1:CAS:528: DC%2BD28Xpt1WitrY%3D (Pubitemid 44330708)
    • (2006) Clinical Chemistry , vol.52 , Issue.9 , pp. 1735-1742
    • Sauvage, F.-L.1    Saint-Marcoux, F.2    Duretz, B.3    Deporte, D.4    Lachatre, G.5    Marquet, P.6
  • 14
    • 33746538415 scopus 로고    scopus 로고
    • Electrospray-ionization MS/MS library of drugs as database for method development and drug identification
    • DOI 10.1016/j.forsciint.2006.02.053, PII S0379073806003458
    • S Dresen J Kempf W Weinmann 2006 Forensic Sci Int 161 86 91 10.1016/j.forsciint.2006.02.053 1:CAS:528:DC%2BD28XotFWkt7Y%3D (Pubitemid 44142900)
    • (2006) Forensic Science International , vol.161 , Issue.2-3 , pp. 86-91
    • Dresen, S.1    Kempf, J.2    Weinmann, W.3
  • 15
    • 19544366418 scopus 로고    scopus 로고
    • Development of a multi-target screening analysis for 301 drugs using a QTrap liquid chromatography/tandem mass spectrometry system and automated library searching
    • DOI 10.1002/rcm.1934
    • CA Mueller W Weinmann S Dresen A Schreiber M Gergov 2005 Rapid Commun Mass Spectrom 19 1332 1338 10.1002/rcm.1934 1:CAS:528:DC%2BD2MXkvVyqsLs%3D (Pubitemid 40728148)
    • (2005) Rapid Communications in Mass Spectrometry , vol.19 , Issue.10 , pp. 1332-1338
    • Mueller, C.A.1    Weinmann, W.2    Dresen, S.3    Schreiber, A.4    Gergov, M.5
  • 19
    • 0035029350 scopus 로고    scopus 로고
    • Toxicological screening of urine for drugs by liquid chromatography/time- of-flight mass spectrometry with automated target library search based on elemental formulas
    • DOI 10.1002/rcm.260
    • M Gergov B Boucher I Ojanperä E Vuori 2001 Rapid Commun Mass Spectrom 15 521 526 10.1002/rcm.260 1:CAS:528:DC%2BD3MXjt12ksLg%3D (Pubitemid 32391085)
    • (2001) Rapid Communications in Mass Spectrometry , vol.15 , Issue.8 , pp. 521-526
    • Gergov, M.1    Boucher, B.2    Ojanpera, I.3    Vuori, E.4
  • 20
    • 0242322764 scopus 로고    scopus 로고
    • Toxicological Screening with Formula-Based Metabolite Identification by Liquid Chromatography/Time-of-Flight Mass Spectrometry
    • DOI 10.1021/ac030162o
    • A Pelander I Ojanperä S Laks I Rasanen E Vuori 2003 Anal Chem 75 5710 5718 10.1021/ac030162o 1:CAS:528:DC%2BD3sXnsVOisbY%3D (Pubitemid 37356451)
    • (2003) Analytical Chemistry , vol.75 , Issue.21 , pp. 5710-5718
    • Pelander, A.1    Ojanpera, I.2    Laks, S.3    Rasanen, I.4    Vuori, E.5
  • 23
    • 33846624349 scopus 로고    scopus 로고
    • A general screening method for doping agents in human urine by solid phase extraction and liquid chromatography/time-of-flight mass spectrometry
    • DOI 10.1016/j.aca.2006.12.028, PII S0003267006024524
    • M Kolmonen A Leinonen A Pelander I Ojanperä 2007 Anal Chim Acta 585 94 102 10.1016/j.aca.2006.12.028 1:CAS:528:DC%2BD2sXhtlWjtrs%3D (Pubitemid 46176794)
    • (2007) Analytica Chimica Acta , vol.585 , Issue.1 , pp. 94-102
    • Kolmonen, M.1    Leinonen, A.2    Pelander, A.3    Ojanpera, I.4
  • 27
    • 77957873869 scopus 로고    scopus 로고
    • Ristimaa J, Gergov M, Pelander A, Halmesmäki E, Ojanperä I (2010) Anal Bioanal Chem 398:925-935
    • (2010) Anal Bioanal Chem , vol.398 , pp. 925-935
    • Ristimaa, J.G.1
  • 28
    • 33747600384 scopus 로고    scopus 로고
    • Combined use of ESI-QqTOF-MS and ESI-QqTOF-MS/MS with mass-spectral library search for qualitative analysis of drugs
    • DOI 10.1007/s00216-006-0634-8
    • M Pavlic K Libiseller H Oberacher 2006 Anal Bioanal Chem 386 69 82 10.1007/s00216-006-0634-8 1:CAS:528:DC%2BD28Xotl2msrk%3D (Pubitemid 44268051)
    • (2006) Analytical and Bioanalytical Chemistry , vol.386 , Issue.1 , pp. 69-82
    • Pavlic, M.1    Libiseller, K.2    Oberacher, H.3
  • 31
    • 42349110546 scopus 로고    scopus 로고
    • 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
    • DOI 10.1021/ac800071n
    • A Polettini R Gottardo JP Pascali F Tagliaro 2008 Anal Chem 80 3050 3057 10.1021/ac800071n 1:CAS:528:DC%2BD1cXjtFSlur4%3D (Pubitemid 351556475)
    • (2008) Analytical Chemistry , vol.80 , Issue.8 , pp. 3050-3057
    • Polettini, A.1    Gottardo, R.2    Pascali, J.P.3    Tagliaro, F.4
  • 35
    • 33846916738 scopus 로고    scopus 로고
    • Ultra-performance liquid chromatography coupled to time of flight mass spectrometry (UPLC-TOF): A novel tool for multiresidue screening of veterinary drugs in urine
    • DOI 10.1016/j.aca.2006.10.026, PII S0003267006020952
    • A Kaufmann P Butcher K Maden M Widmer 2007 Anal Chim Acta 586 13 21 10.1016/j.aca.2006.10.026 1:CAS:528:DC%2BD2sXhvVyns7w%3D (Pubitemid 46240023)
    • (2007) Analytica Chimica Acta , vol.586 , Issue.SPEC. ISS. , pp. 13-21
    • Kaufmann, A.1    Butcher, P.2    Maden, K.3    Widmer, M.4
  • 37
    • 79954435650 scopus 로고    scopus 로고
    • (molecularstructuregeneration),assessed20August2010
    • http://molgen.de (molecular structure generation), assessed 20 August 2010
  • 38
    • 79954449289 scopus 로고    scopus 로고
    • www.chemspider.com, assessed 20 August 2010
    • (2010)
  • 40
    • 79954438984 scopus 로고    scopus 로고
    • An application kit for the screening of samples for analytes of forensic and toxicological interest using TOF or Q-TOF LC/MS with a personal forensics/toxicology database
    • Agilent Technologies, Inc
    • Stone P, Zweigenbaum J (2009) An application kit for the screening of samples for analytes of forensic and toxicological interest using TOF or Q-TOF LC/MS with a personal forensics/toxicology database. Agilent application note 5990-4252EN, Agilent Technologies, Inc
    • (2009) Agilent Application Note 5990-4252EN
    • Stone, P.1    Zweigenbaum, J.2
  • 41
    • 84857443323 scopus 로고    scopus 로고
    • Toxicological screening with the agilent LC/MS-QTOF and the personal compound database and the Broecker, Herre and Pragst accurate mass spectral library
    • 5990-6419EN Agilent Technologies, Inc
    • Broecker S, Herre S, Pragst F, Kuhlman F, Wüst B, Zweigenbaum J (2010) Toxicological screening with the agilent LC/MS-QTOF and the personal compound database and the Broecker, Herre and Pragst accurate mass spectral library. Agilent Application Note 5990-6419EN Agilent Technologies, Inc
    • (2010) Agilent Application Note
    • Broecker, S.H.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.