Determination of 17 illicit drugs in oral fluid using isotope dilution ultra-high performance liquid chromatography/tandem mass spectrometry with three atmospheric pressure ionizations

Wang, I-Ting; Feng, Yuting; Chen, Chia-Yang

doi:10.1016/j.jchromb.2010.09.014

Cited by 37 publications

(23 citation statements)

References 49 publications

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“…Most drug screening assays include cocaine and at least one major metabolite, usually benzoylecgonine, and an increasing number of these screens are now performed using LC-MS/MS technology (Dams et al, 2007;Badawi et al, 2009;Shakleya et al, 2010;Wang et al, 2010). Whereas the methods have been well documented (Dams et al, 2007;Badawi et al, 2009;Shakleya et al, 2010;Wang et al, 2010), the goal of a screen is to incorporate as many compounds as possible into a single assay. Comprehensive screens may even require the use of expensive ultra-performance liquid chromatography instrumentation (Badawi et al, 2009) to achieve sufficient resolution of all components.…”

Section: Discussionmentioning

confidence: 99%

The Ability of Bacterial Cocaine Esterase to Hydrolyze Cocaine Metabolites and Their Simultaneous Quantification Using High-Performance Liquid Chromatography-Tandem Mass Spectrometry

Brim¹,

Noon²,

Collins³

et al. 2011

Molecular Pharmacology

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Cocaine toxicity is a widespread problem in the United States, responsible for more than 500,000 emergency department visits a year. There is currently no U.S. Food and Drug Administration-approved pharmacotherapy to directly treat cocaine toxicity. To this end, we have developed a mutant bacterial cocaine esterase (DM-CocE), which has been previously shown to rapidly hydrolyze cocaine into inert metabolites, preventing and reversing toxicity with limited immunogenic potential. Herein we describe the ability of DM-CocE to hydrolyze the active cocaine metabolites norcocaine and cocaethylene and its inability to hydrolyze benzoylecgonine. DM-CocE hydrolyzes norcocaine and cocaethylene with 58 and 45% of its catalytic efficiency for cocaine in vitro as measured by a spectrophotometric assay. We have developed a mass spectrometry method to simultaneously detect cocaine, benzoylecgonine, norcocaine, and ecgonine methyl ester to quantify the effect of DM-CocE on normal cocaine metabolism in vivo. DM-CocE administered to rats 10 min after a convulsant dose of cocaine alters the normal metabolism of cocaine, rapidly decreasing circulating levels of cocaine and norcocaine while increasing ecgonine methyl ester formation. Benzoylecgonine was not hydrolyzed in vivo, but circulating concentrations were reduced, suggesting that DM-CocE may bind and sequester this metabolite. These findings suggest that DM-CocE may reduce cocaine toxicity by eliminating active and toxic metabolites along with the parent cocaine molecule.

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Section: Discussionmentioning

confidence: 99%

The Ability of Bacterial Cocaine Esterase to Hydrolyze Cocaine Metabolites and Their Simultaneous Quantification Using High-Performance Liquid Chromatography-Tandem Mass Spectrometry

Brim¹,

Noon²,

Collins³

et al. 2011

Molecular Pharmacology

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“…Moreover, very few cases where an analyte is ionized by direct APPI but is not ionized or not ionized as well with dopant-assisted APPI, have been reported [24]. One notable drawback of dopant use is that oftentimes and especially with compounds containing aromatic systems, mass spectra show signals of dopant addition to analyte molecules (e.g., THF, methanol, toluene), as well as multiple background signals from solvent aggregation.…”

Section: Use Of the Toluene As A Dopantmentioning

confidence: 99%

“…Secondly, quantitation studies or studies comparing atmospheric pressure ionization techniques tend to focus on a selected class of compounds, such a crude oil [20], lipids [21,22], explosives [23], and drugs [11,24], and evaluate the APPI response for the whole compound set within this class. Yet these compounds may represent chemically a highly heterogeneous group, resulting in varied and, at times, unexpected, APPI response [25].…”

Section: Introductionmentioning

confidence: 99%

A Functional Group Approach for Prediction of APPI Response of Organic Synthetic Targets

Zhurov

Menin

Franco

et al. 2015

J. Am. Soc. Mass Spectrom.

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Abstract. Atmospheric pressure photoionization (APPI) is a technique of choice for ionization of non-polar molecules in mass spectrometry (MS). Reported APPI-based studies tend to focus on a selected compound class, which may contain a variety of functional groups. These studies demonstrate that APPI response frequently differs substantially, indicating a certain dependence on the functional group present. Although this dependence could be employed for APPI response prediction, its systematic use is currently absent. Here, we apply APPI MS to a judiciously-compiled set of 63 compounds containing a number of diverse functional groups commonly utilized in synthesis, reactive functional groups, as well as those containing boron and silicon. Based on the outcome of APPI MS of these compounds, we propose and evaluate a simple guideline to estimate the APPI response for a novel compound, the key properties of which have not been characterized in the gas phase. Briefly, we first identify key functional groups in the compound and gather knowledge on the known ionization energies from the smallest analogues containing said functional groups. We then consider local inductive and resonance effects on said ionization energies for the compounds of interest to estimate the APPI response. Finally, application of APPI MS to compounds of interest considered herein demonstrated extended upper mass ionization limit of 3.5 kDa for non-polymeric compounds.

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“…[38][39][40] A screening system to analyze multiple drugs simultaneously has be-come the mainstream. In this regard, matrix effects should be taken into consideration.…”

Section: Oral Fluid (Saliva)mentioning

confidence: 99%

Analysis of Drugs of Abuse in Biological Specimens

Saito

Kikuchi

et al. 2011

JOURNAL OF HEALTH SCIENCE

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Recent reports of the analysis of drugs of abuse in biological specimens are reviewed herein. Different perspectives from reviews so far published and the need for and the background of drug analysis in biological specimens, and difficulty of drug testing in biological specimens are introduced. Comprehensive biological specimens for the analysis of drugs of abuse in forensic science, including oral fluid (saliva), hair, umbilical cord, placenta, meconium, cadaver tissue (brain, adipose), sweat, breath, and nail clippings, in addition to the commonly used blood and urine specimens in clinical chemistry, are described along with their outlines, advantages/disadvantages, and actual examples. Today, liquid chromatography-tandem mass spectrometry (LC-MS/MS) is the method of choice for the analysis of drugs of abuse. A simultaneous screening method for multiple types of drugs has also become popular recently. However, because qualitative determination remains important in forensic science, gas chromatographymass spectrometry (GC-MS) is still in use even if it requires complicated specimen preparation and derivatization procedures. This is because GC-MS is reliable and has been employed ever since for the appraisal of trials.

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Determination of 17 illicit drugs in oral fluid using isotope dilution ultra-high performance liquid chromatography/tandem mass spectrometry with three atmospheric pressure ionizations

Cited by 37 publications

References 49 publications

The Ability of Bacterial Cocaine Esterase to Hydrolyze Cocaine Metabolites and Their Simultaneous Quantification Using High-Performance Liquid Chromatography-Tandem Mass Spectrometry

The Ability of Bacterial Cocaine Esterase to Hydrolyze Cocaine Metabolites and Their Simultaneous Quantification Using High-Performance Liquid Chromatography-Tandem Mass Spectrometry

A Functional Group Approach for Prediction of APPI Response of Organic Synthetic Targets

Analysis of Drugs of Abuse in Biological Specimens

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