GC-TOF MS Application: Drugs of Abuse in Urine
Drugs testing urine using the high sensitivity BenchTOF-dx™ and powerful data interrogation software
Introduction
Gas chromatography/mass spectrometry (GC/MS) is a technique commonly used for identifying drugs of abuse (DOA) in urine. The recently-introduced BenchTOF-dx demonstrates breakthrough capability to provide exceptional sensitivity with spectra that are unaffected by spectral skew and exactly match ‘classical’, quadrupole-generated spectra.
The instrument’s associated software incorporates background-compensation, deconvolution and data-mining, which enhance and automate the identification of specific target compounds in a very complex sample like urine.
Experimental
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Results
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- A urine sample was collected from a methadone substitution program.
- Glucuronide separation was followed by sorptive extraction (SPE) using SPEC DAU cation exchangers to extract the organic compounds from the urine.
- The underivatised sample was then evaporated and concentrated in 50 µL MeOH and a 1 µL aliquot used for GC/TOF-MS analysis.
- Conditions:
- Column: Optima 5 Accent 10 m x 0.2 mm x 0.35 µm
- Run time: 10 min Transfer line: 250°C
- Mass range: m/z 35–635
- Scan rate/scanset rate: 10 kHz/2 H
- Ion source: 260°C
- A target library of the compounds of interest was created in the BenchTOF-dx software package. The GC/MS data for the urine sample was then imported and searched for targets.
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Section of report listing drugs of abuse found in the urine sample
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The TIC is affected by high levels of background interference, expected of the nature of the sample. The TIC was imported into the BenchTOF-dx software which applies background compensation and deconvolution algorithms to the data followed by chemometric analysis of ‘clean’ peak spectra to identify target compounds.
The high S/N and quality of spectra derived from the BenchTOF-dx enhance the capabilities of the data interrogation software, ensuring reliable identification of compounds down to the lowest concentrations, e.g. alprazolam, and in underivatised forms.
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Overlaid chromatograms showing amisulpride and alprazolam co-eluting
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The similarity of spectra is excellent despite the large matrix interference
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Conclusion
The overall sample complexity may pose a problem for many analytical detection systems, but the BenchTOF-dx is able to record high quality mass spectra over a wide concentration range.
The ability of the BenchTOF-dx to deliver NIST-searchable spectra means that proprietary libraries may be employed without modification.
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