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High-Resolution Mass Spectrometry for Untargeted Drug Screening

  • Alan H. B. WuEmail author
  • Jennifer Colby
Protocol
Part of the Methods in Molecular Biology book series (MIMB, volume 1383)

Abstract

While gas chromatography-mass spectrometry (GC/MS) continues to be the forensic standard for toxicology, liquid chromatography coupled to tandem MS offers significant operational advantages for targeted confirmatory analysis. LC-high-resolution (HR)-MS has recently been available that offers advantages for untargeted analysis. HR-MS analyzers include the Orbitrap and time-of-flight MS. These instruments are capable of detecting 1 ppm mass resolution. Following soft ionization, this enables the assignment of exact molecular formula, limiting the number of candidate compounds. With this technique, presumptive identification of unknowns can be conducted without the need to match MS library spectra or comparison against known standards. For clinical toxicology, this can greatly expand on the number of drugs and metabolites that can be detected and reported on a presumptive basis. Definitive assignments of the compound’s identity can be retrospectively determined with acquisition of the appropriate reference standard.

Key words

High-resolution mass spectrometry Orbitrap Time-of-flight mass spectrometry Untargeted mass screening Exact molecular formula 

References

  1. 1.
    Renagarajan A, Mullins ME (2013) How often do false-positive phencyclidine urine screens occur with use of common medications? Clin Toxicol (Phila) 51(6):493–496CrossRefGoogle Scholar
  2. 2.
    Wenk RE (2006) False-negative urine immunoassay after lorazepam overdose. Arch Pathol Lab Med 130:1600–1601PubMedGoogle Scholar
  3. 3.
    Wu AHB, Gerona R, Armenian P, French D, Petrie M, Lynch KL (2012) Role of liquid chromatography-high-resolution mass spectrometry (LC-HR/MS) in clinical toxicology. Clin Toxicol 50:733–742CrossRefGoogle Scholar
  4. 4.
    Ojanpera I, Kolmonen M, Pelander A (2012) Current use of high-resolution mass spectrometry in drug screening relevant to clinical and forensic toxicology and doping control. Anal Bioanal Chem 403:1203–1220CrossRefPubMedGoogle Scholar
  5. 5.
    Crews BO, Pesce AJ, West R, Nguye H, Fitzgerald RL (2012) Evaluation of high-resolution mass spectrometry for urine toxicology screening in a pain management setting. J Anal Toxicol 36:601–607CrossRefPubMedGoogle Scholar
  6. 6.
    Croley TR, White KD, Callahan JH, Musser SM (2012) The chromatographic role in high resolution mass spectrometry for non-targeted analysis. J Am Soc Mass Spectrom 23:1569–1578CrossRefPubMedGoogle Scholar
  7. 7.
    Bush DM (2008) The U.S. Mandatory Guidelines for Federal Workplace Drug Testing Programs: current status and future considerations. Forensic Sci Int 174:111–119CrossRefPubMedGoogle Scholar
  8. 8.
    Jarvie DR, Simpson D (1986) Drug screening: evaluation of the Toxi-lab TLC system. Ann Clin Biochem 23:76–84CrossRefPubMedGoogle Scholar
  9. 9.
    Demedts P, Wauters A, Franck F, Neels H (1994) Evaluation of the Remedi drug profiling system. Eur J Clin Chem Clin Biochem 32:409–417PubMedGoogle Scholar
  10. 10.
    Gerona RR, Wu AH (2012) Bath salts. Clin Lab Med 32(3):415–427CrossRefPubMedGoogle Scholar
  11. 11.
    Fattore L, Fratta W (2011) Beyond THC: the new generation of cannabinoid designer drugs. Front Behav Neurosci 5(60):1–12Google Scholar
  12. 12.
    Stogner JM (2014) The potential threat of acetyl fentanyl: legal issues, contaminated heroin, and acetyl fentanyl “disguised” as other opioids. Ann Emerg Med 64(6):637–639CrossRefPubMedGoogle Scholar
  13. 13.
    Petrie MS, Lynch KL, Wu AHB, Steinhardt AA, Horowitz GL (2012) Prescription compliance or illicit designer drug abuse? Clin Chem 58:1631–1635CrossRefPubMedGoogle Scholar
  14. 14.
    Graf J, Lynch K, Yeh CL, Tarter L, Richman N, Nguyen T, Kral A, Dominy S, Imboden J (2011) Purpura, cutaneous necrosis, and antineutrophil cytoplasmic antibodies associated with levamisole-adulterated cocaine. Arthritis Rheum 63:3998–4001CrossRefPubMedGoogle Scholar
  15. 15.
    Title 21 US Code (USC) Controlled Substance Act. US Department of Justics, Drug Enforcement Agency. Office of Diversion Control. http://www.deadiversion.ucdoj.gov/21cfr/21usc/812.htm

Copyright information

© Springer Science+Business Media New York 2016

Authors and Affiliations

  1. 1.Department of Laboratory Medicine, San Francisco General HospitalUniversity of California, San FranciscoSan FranciscoUSA

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