{"id":15775,"date":"2021-11-02T13:10:10","date_gmt":"2021-11-02T13:10:10","guid":{"rendered":"https:\/\/clinlabint.com\/?p=15775"},"modified":"2021-11-02T13:24:02","modified_gmt":"2021-11-02T13:24:02","slug":"clinical-toxicology-screening-expanding-the-capability-of-highresolution-mass-spectrometry","status":"publish","type":"post","link":"https:\/\/clinlabint.com\/clinical-toxicology-screening-expanding-the-capability-of-highresolution-mass-spectrometry\/","title":{"rendered":"Clinical toxicology screening: expanding the capability of highresolution mass spectrometry"},"content":{"rendered":"
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Clinical toxicology screening: expanding the capability of highresolution mass spectrometry<\/h1>\/ in Featured Articles<\/a> <\/span><\/span><\/header>\n<\/div><\/section>
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High-resolution mass spectrometry (MS) is a powerful analytical tool for clinical and forensic toxicology. It is capable of screening and confirming the presence of drugs and toxic compounds in various biological matrices. Using high-resolution MS\/MS libraries helps to increase reporting confidence, verifies compound identification and reduces reporting of false-positive results.<\/h3>\n

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Background<\/strong><\/p>\n

Clinical and forensic toxicology is a highly complex and challenging application domain demanding technologies that can detect a range of illicit drugs, adulterants and therapeutic medications that require screening and identification for medical management. The challenge is further aggravated by the need to accurately identify a compound and negate the reporting of false-positive and false-negative results. Liquid chromatography\u2013tandem mass spectrometry (LC-MS\/MS) has been applied successfully to specific, targeted methods in routine therapeutic drug monitoring, such as immuno-suppressants, vitamin analysis, steroids, biogenic amines, psychoactive drugs and synthetic cannabinoids using multiple reaction monitoring (MRM) with triple-quadrupole mass spectrometers. These systems are robust detection technologies and generate high sensitivity and specificity for diverse target panels.<\/p>\n

The challenge is to expand target panels particularly with novel psychoactive substances and synthetic illicit substances and to develop methods that can be used routinely for both targeted and non-targeted screening. To meet this need, high-resolution MS is increasingly being applied to routine clinical and forensic toxicology analysis for quanti-fication (using full scan or highresolution MRM) and identification purposes (library confirmation with MS\/MS mass fragment spectrum with data-dependent or data-independent acquisitions) in a single analysis.<\/p>\n

Application to clinical and forensic toxicology for drugs of abuse in biological samples<\/h3>\n

Sample preparation<\/strong><\/p>\n

Plasma, serum or blood samples are extracted with a QuEChERS (quick, easy, cheap, effective, rugged, and safe) method [1]. Where possible deuterated internal standards should be included.<\/p>\n

LC separation<\/strong><\/p>\n

A validated biphenyl-based separation was developed to ensure that both isobaric targets are chromatographically resolved and the method can be used for a diverse chemical toxicology space with a cycle time of 17 minutes.<\/p>\n

MS detection<\/strong><\/p>\n

The method acquired a single time-of-flight (TOF) MS scan (m\/z 100\u22121000) followed by DIA-MS\/MS mass scans (m\/z 40\u20131000) in positive ion; each MS\/MS mass scan had a precursor isolation width of 20 Da and a collision energy spread of 5\u221255 V, resulting in a cycle time of approximately 1 second (QTOF LCMS-9030, Shimadzu).<\/p>\n

Reporting results with high-resolution LC-MS\/MS<\/strong><\/p>\n

Compounds can be identified (LabSolutions Insight software, Shimadzu) with high reporting confidence by combining accurate mass, isotopic distribution, retention time (Rt) and accurate mass fragment spectrum data. A compound can be reported with high
\nconfidence if:<\/p>\n