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Related Concept Videos

Mass Spectrum: Interpretation01:24

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An unknown compound can be established by identifying the molecular ion peak in the mass spectrum. The molecular ion peak is often weak or absent due to the predominance of fragmentation in high-energy electron beams. In such cases, a low-energy electron beam can be used to scan the spectrum to enhance the intensity of the molecular ion peak. Additionally, chemical ionization, field ionization, and desorption ionization spectra are used to obtain a relatively intense molecular ion peak.
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Mass Spectrometry: Complex Analysis01:21

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Mass spectrometry is an important technique for the identification of pure compounds. However, it has some limitations for the analysis of complex mixtures, often due to excessive fragmentation making the spectrum too complicated to decipher. Mass spectrometry can be combined with suitable separation methods in sequence, forming hyphenated methods, which are useful in the analysis of complex mixtures.
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Step-By-Step Procedure to Identify Previously Unknown Compounds by LC-QTOF-MS Exemplified by an Intoxication With the

Helena Fels1, Simon Franz1, Torsten Dame1

  • 1Forensic Toxicological Centre (FTC), Munich, Germany.

Drug Testing and Analysis
|September 4, 2024
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Summary

A novel designer drug, SL-164, and its metabolites were identified in a suspected overdose case using liquid chromatography-quadrupole-time-of-flight mass spectrometry (LC-QTOF-MS). This highlights LC-QTOF-MS's power in detecting unknown substances in biological samples.

Keywords:
SL‐164methaqualone analognew psychoactive substancestime‐of‐flight mass spectrometry

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Area of Science:

  • * Forensic Toxicology
  • * Analytical Chemistry
  • * Pharmacology

Background:

  • * A 22-year-old male presented with altered mental status, suspected drug overdose.
  • * Routine toxicological analysis was performed on serum and urine samples.
  • * Initial analysis detected morphine and phenobarbital.

Purpose of the Study:

  • * To identify unknown substances in biological samples from a suspected drug overdose.
  • * To investigate the presence of designer drugs and novel psychoactive substances.
  • * To confirm the identity and quantify a newly identified methaqualone analog, SL-164.

Main Methods:

  • * Liquid chromatography-quadrupole-time-of-flight mass spectrometry (LC-QTOF-MS) for initial screening and identification.
  • * Nuclear magnetic resonance (NMR) spectroscopy for structural confirmation and purity assessment of SL-164.
  • * Quantitative analysis of SL-164 in serum and its metabolites in urine.

Main Results:

  • * Morphine and phenobarbital were identified.
  • * Two unknown compounds, initially suspected as designer benzodiazepines, were detected.
  • * SL-164, a methaqualone analog, and its hydroxy metabolite were tentatively identified.
  • * SL-164 was confirmed and quantified at 390 ng/mL in serum.
  • * Three monohydroxylated metabolites of SL-164 were detected in urine.

Conclusions:

  • * LC-QTOF-MS is a powerful tool for identifying unknown compounds in biological matrices.
  • * SL-164 is a novel designer drug that can be detected and quantified in clinical toxicology.
  • * The study demonstrates the emergence of new psychoactive substances in the drug market.