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Doping/Drugs of abuse testing

Drug screening and confirmation

The screening for drugs of abuse in human, equine and canine urine, saliva and other body fluids is a key application in many governmental and non-governmental laboratories.

Rapid, unambiguous detection and identification of drugs and related compounds in numerous samples are essential prerequisites for forensic drug screening. Since positive samples returns can have severe consequences for the tested person/animal, it is of utmost importance to acquire reliable data.

Drug screening with Bruker Daltonics

The increasing requests to analyse a given sample not only for single or a few target compounds which are toxicologically relevant, but also to perform a comprehensive screening for hundreds of substances is limited in current LC - triple quadrupole mass spectrometric analyses, which used to be the standard technique. State-of-the-art TOF-MS instruments can overcome these practical limitations and offer superior capabilities:

  • This combination of exact mass and TIP not only provides confidence on a sub-ppm level for the confirmation of target compounds, but offers a powerful solution for the identification of novel compounds.
  • The mass accuracies provided by the micrOTOF II ESI-TOF instrument are not the only the basis for a fast and simple compound identification. Since the mass accuracies are apparently independent of the signal intensities, this allows for the generation of extracted ion chromatograms with a few mDa mass windows offering a very high selectivity for the target compounds: Multi-target screening with high resolution EICs (hrEICs)
  • A further dimension of confidence for compound identification, in addition to the exact mass information, is offered by the analysis of the theoretical isotopic profile (True Isotopic Pattern –TIP) which is automatically matched against the measured spectrum (SmartFormula).
  • A prerequisite for the screening of thousands of compounds is an easy to use software package: The TargetAnalysis software is a powerful tool for the fast and flexible identification of numerous targets in LC-TOF-MS data files, whereas the QuantAnalysis software allows for the quantification of identified target compounds
  • With the choice of a micrOTOFQ II or maXis Q-TOF instrument a further dimension of information can be gained by exact mass MS/MS data. In combination with the SmartFormula3D software tool, the exact mass and isotopic pattern information from MS and MS/MS spectra are easily combined and typically limit the number of possible sum formulae for unknown compounds to a single or a few hits.