Skip to main content
SpringerLink
Log in

LC/TOF-MS Analysis of Pesticides in Fruits and Vegetables: The Emerging Role of Accurate Mass in the Unambiguous Identification of Pesticides in Food

  • Protocol
  • First Online:
Mass Spectrometry in Food Safety

Part of the book series: Methods in Molecular Biology ((MIMB,volume 747))

Abstract

The detection, identification, confirmation, and quantitation of pesticides in fruits and vegetables are typically performed from a list of suspect compounds or targets. However, there is mounting concern that pesticides not targeted are finding their way into the food supply. This chapter describes the use of LC with time-of-flight mass spectrometry (LC/TOF-MS) for the detection and identification of pesticides that are not targeted. The use of accurate mass measurement and its implication for the identification of non-targeted compounds are discussed. The need for unambiguous identification and requirements therein are evaluated in detail.

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

Access this chapter

Log in via an institution
Protocol
USD 49.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 89.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 119.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 169.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

References

  1. Department of Agriculture Web Report 2005 for Pesticides in Food.

    Google Scholar 

  2. EU Food Directives, 2002, 91/414/EEC.

    Google Scholar 

  3. Analysis of Food by Mass Spectrometry, 2005, Elsevier, ed. Fernandez-Alba, A. 356p.

    Google Scholar 

  4. Zeeuw, R.A. de, 2004, Substance identification: the weak link in analytical toxicology: Journal of Chromatography A, v. 811, pp. 3–12.

    Google Scholar 

  5. Mandatory Guidelines for Federal Workplace Drug Testing Programs, Substance Abuse and Mental Health Service Administration, US Department of Health and Human Services, Federal Register 53 (1988), nr 69, Di-D12.

    Google Scholar 

  6. Valcarcel, M., Gomez-Hens, A., Rubio, S., 2001, Selectivity in analytical chemistry revisited: Trac Trends in Analytical Chemistry, v. 20, pp. 386–393.

    Article  CAS  Google Scholar 

  7. Van Eenoo, P.; Delbeke, F.T., 2004, Criteria in chromatography and mass spectrometry-A comparison between regulations in the field of residue and doping analysis: Chromatographia Supplement, v. 59, pp. S39–S44.

    Article  Google Scholar 

  8. Bethem, R.A.; Boyd, R.K., 1998, Mass spectrometry in trace analysis: American Society of Mass Spectrometry v. 9, pp. 643–648.

    Google Scholar 

  9. Andre, F.; et al., 2001, Trends in the identification of organic residues and contaminants: EC regulations under revision, Trends in Analytical Chemistry, v. 20, pp. 435–445.

    Google Scholar 

  10. Stolker, A.A.M.; Brinkmann, U.A.Th., 2005, Analytical strategies for residue analysis of veterinary drugs and growth-promoting agents in food-producing animals-a review, Journal of Chromatography A, v. 1067, pp. 15–54.

    Google Scholar 

  11. Sphon, J.A., 1978, Use of mass spectrometry for the confirmation of animal drug residues: Journal of the Association of Official Analytical Chemists, v. 61, pp. 1247–1252.

    Google Scholar 

  12. Thurman, E. M., Ferrer, Imma, 2003, Comparison of Quadrupole, Time-of-flight, triple quadrupole, and ion-trap mass spectrometry for the analysis of emerging ­contaminants, Chapter 2 in: Liquid Chromatography/Mass Spectrometry/Mass Spectrometry and Time-of-Flight Mass Spectrometry for the analysis of emerging contaminants, American Chemical Society Symposium Volume 850, pp. 14–31.

    Google Scholar 

  13. Budde, W.L., 2001, Analytical Mass Spectrometry: Strategies for Environmental and Related Applications, American Chemical Society, Washington, D.C., 386 p.

    Google Scholar 

  14. Ferrer, I., Thurman, E.M., 2009, Liquid Chromatography Time-of-Flight Mass Spectrometry: Principles, Tools, and Applications for Accurate Mass Analysis, John Wiley & Sons, Inc., 261 p.

    Google Scholar 

  15. Rogers, R.P.; Schaub, T.M.; Marshall, A.G., 2005, Petroleomics: MS returns to its roots, Analytical Chemistry, v. 77, pp. A21–A27.

    Google Scholar 

  16. Ferrer, Imma; Thurman, E.M., 2003, Analysis of Emerging Contaminants by LC-MS TOF: TrAC v. 35, pp. 304–312.

    Google Scholar 

  17. Sparkman, O.D., 2000, Mass Spec Desk Reference, Global View Publishing, Pitts-burgh, 106 p.

    Google Scholar 

  18. Thevis, M.; Schanzer, W., 2005, Mass spectrometry in doping control analysis: Current Organic Chemistry v. 9, pp. 825–848.

    Google Scholar 

  19. Ferrer, Imma; Thurman, E.M., 2005, Measuring the mass of an electron by LC/TOF-MS: A study of “twin ions”, Analytical Chemistry, v. 77, pp. 3394–3400.

    Google Scholar 

  20. Ferrer, Imma; Thurman, E.M.; Fernandez-Alba, A.R., 2005, Quantitation and accurate mass analysis of pesticides in vegetables by LC/TOF-MS: Analytical Chemistry, v. 77, pp. 2818–2825.

    Google Scholar 

  21. Thurman, E.M., Ferrer, Imma, and Amadeo Fernandez-Alba, 2005, Matching unknown empirical formulas to chemical structure using LC/MS TOF accurate mass and database searching: example of unknown pesticides on tomato skin: Journal of Chromatography A., v. 1067, pp. 127–134.

    Google Scholar 

  22. Thurman, E.M.; Ferrer, Imma; Garcia-Reyes, J.F.; Zweigenbaum, J.A.; Woodman, Michael; Fernandez-Alba, A.R., 2005, Discovering metabolites of post harvest fungicides in citrus with liquid chromatography/time-of-flight mass spectrometry and ion trap tandem mass spectrometry: Journal of Chromatography A, v. 1082, pp. 71–80.

    Google Scholar 

  23. Kellmann, M., Muenster, H., Zomer, P., Mol, H., 2009, Full scan MS in comprehensive qualitative and quantitative residue analysis in food and fee matrices: How much resolving power is required?, Journal of the American Society for Mass Spectrometry, v. 20, pp. 1464–1476.

    Article  CAS  Google Scholar 

  24. Pelander, A.; Ojanpera, I.; Laks, S.; Rasanen, L.; Vuori, E., 2003, Toxicological screening with formula-based metabolite identification by liquid chromatography/time-of-flight mass spectrometry, Analytical Chemistry, v. 75, pp. 5710–5718.

    Article  PubMed  CAS  Google Scholar 

  25. Sanchez, J.V., 2004, Analysis of unknowns in water by LC/Q/TOF-MS: Rapid Communications in Mass Spectrometry, v. 19, pp. 143–148.

    Google Scholar 

  26. Blokland, M. H.; Zoontjes, P. W.; Sterk, S. S.; Stephany, R. W.; Zweigenbaum, J.; van Ginkel, L. A., Confirmatory analysis of Trenbolone using accurate mass measurement with LC/TOF-MS. Analytica Chimica Acta 2008, 618 (1), 86–93.

    Article  PubMed  CAS  Google Scholar 

  27. Ferrer, I., Heine, C.E., Thurman, E.M., 2004, Combination of LC/TOF-MS and LC/Ion trap MS/MS for the identification of diphenhydramine in sediment samples: Analytical Chemistry, v. 76, pp. 1437–1444.

    Article  PubMed  CAS  Google Scholar 

  28. Roberts, L., 2000, Personal Communication, Oral Presentation, American Chemical Society Meeting.

    Google Scholar 

  29. Thurman, E.M., Ferrer, I., Zweigenbaum, J.A., 2006, High-resolution and accurate mass analysis of xenobiotics in food: Analytical Chemistry, v. 78, pp. 6703–6708.

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Center for Environmental Mass Spectrometry, Department of Civil, Environmental, and Architectural Engineering, University of Colorado, Boulder, CO, USA, 80309

    E. Michael Thurman

Authors
  1. Imma Ferrer
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. E. Michael Thurman
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Jerry Zweigenbaum
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to E. Michael Thurman .

Editor information

Editors and Affiliations

  1. , Food Safety, Agilent Technologies, Inc., Centerville Rd. 2850, Wilmington, 19808, Delaware, USA

    Jerry Zweigenbaum

Rights and permissions

Reprints and permissions

Copyright information

© 2011 Springer Science+Business Media, LLC

About this protocol

Cite this protocol

Ferrer, I., Thurman, E.M., Zweigenbaum, J. (2011). LC/TOF-MS Analysis of Pesticides in Fruits and Vegetables: The Emerging Role of Accurate Mass in the Unambiguous Identification of Pesticides in Food. In: Zweigenbaum, J. (eds) Mass Spectrometry in Food Safety. Methods in Molecular Biology, vol 747. Humana Press. https://doi.org/10.1007/978-1-61779-136-9_8

Download citation

  • DOI: https://doi.org/10.1007/978-1-61779-136-9_8

  • Published:

  • Publisher Name: Humana Press

  • Print ISBN: 978-1-61779-135-2

  • Online ISBN: 978-1-61779-136-9

  • eBook Packages: Springer Protocols

Publish with us

Policies and ethics

Search

Navigation