Skip to main content

Advertisement

SpringerLink
Log in

Detection and identification of 700 drugs by multi-target screening with a 3200 Q TRAP® LC-MS/MS system and library searching

  • Original Paper
  • Published:
Analytical and Bioanalytical Chemistry Aims and scope Submit manuscript

Abstract

The multi-target screening method described in this work allows the simultaneous detection and identification of 700 drugs and metabolites in biological fluids using a hybrid triple-quadrupole linear ion trap mass spectrometer in a single analytical run. After standardization of the method, the retention times of 700 compounds were determined and transitions for each compound were selected by a “scheduled” survey MRM scan, followed by an information-dependent acquisition using the sensitive enhanced product ion scan of a Q TRAP® hybrid instrument. The identification of the compounds in the samples analyzed was accomplished by searching the tandem mass spectrometry (MS/MS) spectra against the library we developed, which contains electrospray ionization–MS/MS spectra of over 1,250 compounds. The multi-target screening method together with the library was included in a software program for routine screening and quantitation to achieve automated acquisition and library searching. With the help of this software application, the time for evaluation and interpretation of the results could be drastically reduced. This new multi-target screening method has been successfully applied for the analysis of postmortem and traffic offense samples as well as proficiency testing, and complements screening with immunoassays, gas chromatography–mass spectrometry, and liquid chromatography–diode-array detection. Other possible applications are analysis in clinical toxicology (for intoxication cases), in psychiatry (antidepressants and other psychoactive drugs), and in forensic toxicology (drugs and driving, workplace drug testing, oral fluid analysis, drug-facilitated sexual assault).

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4

Similar content being viewed by others

References

  1. Maurer HH, Pfleger K, Weber AA (2007) Mass spectral and GC data on drugs, poisons, pesticides, pollutants and their metabolites, 3rd revised and enlarged edition. Wiley-VCH, Weinheim

    Google Scholar 

  2. Pragst FAK, Herre S, Erxleben BT, Rothe M (2001) UV spectra of toxic compounds. Helm, Heppenheim

    Google Scholar 

  3. Ojanpera L, Pelander A, Laks S, Gergov M, Vuori E, Witt M (2005) J Anal Toxicol 29:34–40

    Google Scholar 

  4. Ojanpera S, Pelander A, Pelzing M, Krebs I, Vuori E, Ojanpera I (2006) Rapid Commun Mass Spectrom 20:1161–1167

    Article  CAS  Google Scholar 

  5. Schreiber A, Efer J, Engewald W (2000) J Chromatogr A 869:411–425

    Article  CAS  Google Scholar 

  6. Weinmann W, Wiedemann A, Eppinger B, Renz M, Svoboda M (1999) J Am Soc Mass Spectrom 10:1028–1037

    Article  CAS  Google Scholar 

  7. Dresen S, Kempf J, Weinmann W (2006) Forensic Sci Int 161:86–91

    Article  CAS  Google Scholar 

  8. Dresen S, Gergov M, Politi L, Halter C, Weinmann W (2009) Anal Bioanal Chem 395:2521–2526

    Article  CAS  Google Scholar 

  9. Mueller CA, Weinmann W, Dresen S, Schreiber A, Gergov M (2005) Rapid Commun Mass Spectrom 19:1332–1338

    Article  CAS  Google Scholar 

  10. Sauvage FL, Picard N, Saint-Marcoux F, Gaulier JM, Lachatre G, Marquet P (2009) J Sep Sci 32:3074–3083

    Article  CAS  Google Scholar 

  11. Sauvage FL, Saint-Marcoux F, Duretz B, Deporte D, Lachatre G, Marquet P (2006) Clin Chem 52:1735–1742

    Article  CAS  Google Scholar 

  12. Decaestecker TN, Vande Casteele SR, Wallemacq PE, Van Peteghem CH, Defore DL, Van Bocxlaer JF (2004) Anal Chem 76:6365–6373

    Article  CAS  Google Scholar 

  13. Oberacher H, Pavlic M, Libiseller K, Schubert B, Sulyok M, Schuhmacher R, Csaszar E, Kofeler HC (2009) J Mass Spectrom 44:485–493

    Article  CAS  Google Scholar 

  14. Gergov M, Ojanpera I, Vuori E (2003) J Chromatogr B Anal Technol Biomed Life Sci 795:41–53

    Article  CAS  Google Scholar 

  15. Fitzgerald RL, Rivera JD, Herold DA (1999) Clin Chem 45:1224–1234

    CAS  Google Scholar 

  16. Venisse N, Marquet P, Duchoslav E, Dupuy JL, Lachatre G (2003) J Anal Toxicol 27:7–14

    CAS  Google Scholar 

  17. Saint-Marcoux F, Lachatre G, Marquet P (2003) J Am Soc Mass Spectrom 14:14–22

    Article  CAS  Google Scholar 

  18. Politi L, Morini L, Polettini A (2007) Clin Chim Acta 386:46–52

    Article  CAS  Google Scholar 

  19. Picard N, Dridi D, Sauvage FL, Boughattas NA, Marquet P (2009) J Sep Sci 32:2209–2217

    Article  CAS  Google Scholar 

  20. Pavlic M, Libiseller K, Oberacher H (2006) Anal Bioanal Chem 386:69–82

    Article  CAS  Google Scholar 

  21. Demme U, Becker J, Bussemas H, Daldrup T, Erdmann F, Erkens M, Iten PX, Käferstein H, Lusthof KJ, Magerl HJ, Meyer Lv, Reiter A, Rochholz G, Schmoldt A, Schneider E, Schültz HW, Stimpfl T, Tarbah F, Teske J, Vycudilik W, Weller JP, Weinmann W (2005) Systematic evaluation of 1-chlorobutane for liquid-liquid extraction of drugs. http://www.gtfch.org/chlorobutaneextraction.pdf. Accessed 11 Jan 2010

  22. Annesley TM (2003) Clin Chem 49:1041–1044

    Article  CAS  Google Scholar 

Download references

Acknowledgements

We would like to thank the Deutsche Forschungsgemeinschaft (DFG grant We2571) for support of this work. N.F. thanks the government of the Basque Country for her postdoctoral grant.

Author information

Authors and Affiliations

  1. Institute of Forensic Medicine, Freiburg University Medical Centre, 79104, Freiburg, Germany

    S. Dresen, N. Ferreirós, H. Gnann & W. Weinmann

  2. Analytical Chemistry, Institute of Chemistry, University of Rostock, 18055, Rostock, Germany

    R. Zimmermann

  3. Institute of Forensic Medicine, Forensic Toxicology, Freiburg University Medical Centre, Albertstr. 9, 79104, Freiburg, Germany

    S. Dresen

Authors
  1. S. Dresen
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. N. Ferreirós
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. H. Gnann
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. R. Zimmermann
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. W. Weinmann
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to S. Dresen.

Electronic supplementary material

Below is the link to the electronic supplementary material.

ESM 1

(PDF 2380 kb)

Rights and permissions

Reprints and permissions

About this article

Cite this article

Dresen, S., Ferreirós, N., Gnann, H. et al. Detection and identification of 700 drugs by multi-target screening with a 3200 Q TRAP® LC-MS/MS system and library searching. Anal Bioanal Chem 396, 2425–2434 (2010). https://doi.org/10.1007/s00216-010-3485-2

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s00216-010-3485-2

Keywords

Search

Navigation