Development of a broad toxicological screening technique for urine using ultra-performance liquid chromatography and time-of-flight mass spectrometry

Lee, Hon Kit; Ho, Chung Shun; Iu, Yan Ping Heidi; Lai, Po Shan Judy; Shek, Chi Chung; Lo, Yuan‐Chyuan; Klinke, H.B.; Wood, Michelle

doi:10.1016/j.aca.2009.06.068

Cited by 107 publications

(61 citation statements)

References 41 publications

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“…Compound identification was based on retention time, accurate mass, and fragmentation patterns in in-source CID (Lee et al, 2009). Only limited results have been reported for STA using an orbitrap high-resolution MS instrument (Virus, Sobolevsky, & Rodchenkov, 2008).…”

Section: Systematic Toxicological Screeningmentioning

confidence: 99%

Fragmentation of toxicologically relevant drugs in positive‐ion liquid chromatography–tandem mass spectrometry

Niessen¹

2011

Mass Spectrometry Reviews

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The identification of drugs and related compounds by LC-MS-MS is an important analytical challenge in several application areas, including clinical and forensic toxicology, doping control analysis, and environmental analysis. Although target-compound based analytical strategies are most frequently applied, at some point the information content of the MS-MS spectra becomes relevant. In this article, the positive-ion MS-MS spectra of a wide variety of drugs and related substances are discussed. Starting point was an MS-MS mass spectral library of toxicologically relevant compounds, available on the internet. The positive-ion MS-MS spectra of ∼570 compounds were interpreted by chemical and therapeutic class, thus involving a wide variety of drug compound classes, such benzodiazepines, beta-blockers, angiotensin-converting enzyme inhibitors, phenothiazines, dihydropyridine calcium channel blockers, diuretics, local anesthetics, vasodilators, as well as various subclasses of anti-diabetic, antidepressant, analgesic, and antihistaminic drugs. In addition, the scientific literature was searched for available MS-MS data of these compound classes and the interpretation thereof. The results of this elaborate study are presented in this article. For each individual compound class, the emphasis is on class-specific fragmentation, as discussing fragmentation of all individual compounds would take far too much space. The recognition of class-specific fragmentation may be quite informative in determining the compound class of a specific unknown, which may further help in the identification. In addition, knowledge on (class-specific) fragmentation may further help in the optimization of the selectivity in targeted analytical approaches of compounds of one particular class.

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Section: Systematic Toxicological Screeningmentioning

confidence: 99%

Fragmentation of toxicologically relevant drugs in positive‐ion liquid chromatography–tandem mass spectrometry

Niessen¹

2011

Mass Spectrometry Reviews

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“…In summary, the total run time of this screening approach was shorter than that of previously described general screenings [10,20,40,45].…”

Section: Lc Separationmentioning

confidence: 64%

“…Nevertheless, the limits could be reduced with the TS mode by factor 10e1000 (see Table 4). Lee et al [10], De Castro et al [12], and Broecker et al [20] reported higher or comparable LOIs with the exception of codeine with a lower LOI described by Broecker et al…”

Section: Limitsmentioning

confidence: 87%

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Orbitrap technology for comprehensive metabolite-based liquid chromatographic–high resolution-tandem mass spectrometric urine drug screening – Exemplified for cardiovascular drugs

Helfer

Michely

Weber

et al. 2015

Analytica Chimica Acta

121

118

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“…Lee et al [24] applied LC-TOFMS with a mass spectral library to clinical toxicology. The library contained spectra at a low and a high voltage for more than 300 compounds.…”

Section: General Remarksmentioning

confidence: 99%

Combined drug screening and confirmation by liquid chromatography time-of-flight mass spectrometry with reverse database search

et al. 2012

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Development of a broad toxicological screening technique for urine using ultra-performance liquid chromatography and time-of-flight mass spectrometry

Cited by 107 publications

References 41 publications

Fragmentation of toxicologically relevant drugs in positive‐ion liquid chromatography–tandem mass spectrometry

Fragmentation of toxicologically relevant drugs in positive‐ion liquid chromatography–tandem mass spectrometry

Orbitrap technology for comprehensive metabolite-based liquid chromatographic–high resolution-tandem mass spectrometric urine drug screening – Exemplified for cardiovascular drugs

Combined drug screening and confirmation by liquid chromatography time-of-flight mass spectrometry with reverse database search

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