Criteria for the identification of compounds by liquid chromatography–mass spectrometry and liquid chromatography–multiple mass spectrometry in forensic toxicology and doping analysis

Rivier, Laurent

doi:10.1016/s0003-2670(03)00889-4

Cited by 183 publications

(123 citation statements)

References 31 publications

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“…Routine confirmation and quantitation was performed in the selected-ion monitoring (SIM) mode with respect to three significant ions for each compound and two for each IS. Positive confirmation utilizing three significant ions was in accordance with published recommendations [31]. The mass-to-charge ratios (m/z) of the analyte ions used for quantitation in SIM mode are indicated in Table 1.…”

Section: Gc-ms Proceduresmentioning

confidence: 80%

Rapid GC–MS confirmation of amphetamines in urine by extractive acylation

Marais

Laurens

2009

Forensic Science International

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Section: Gc-ms Proceduresmentioning

confidence: 80%

Rapid GC–MS confirmation of amphetamines in urine by extractive acylation

Marais

Laurens

2009

Forensic Science International

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“…For a confirmatory analysis in forensic toxicology, guidelines require chromatographic separation and at least three ions for compound detection or identification with SIM when a single quadrupole GC-MS is used [23]. For the identification of residues by LC-MS/MS analysis, European guidelines require chromatographic separation and a minimum of two transitions for substance detection; when LC-MS (single MS) is used, three characteristic ions are required [24,25]. None of the published LC-MS or LC-MS/MS methods for EtG listed in Table 1 fulfilled these requirements, since either only one ion with optimized "in-source" CID conditions was used with a single-quadrupole instrument [4,11], or only one …”

mentioning

confidence: 99%

Confirmatory analysis of ethylglucuronide in urine by liquid-chromatography/electrospray ionization/tandem mass spectrometry according to forensic guidelines

Weinmann¹,

Schaefer²,

Thierauf³

et al. 2004

J. Am. Soc. Mass Spectrom.

125

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␤-D-ethylglucuronide (EtG) is a stable Phase II metabolite of ethanol which can be detected in urine samples several days after elimination of ethanol. It is a useful diagnostic parameter for monitoring abstinence of alcoholics in alcohol withdrawal treatment. For this purpose, determination in urine is mainly performed by LC-MS, LC-MS/MS, or by GC-MS. For the mass spectrometric identification and detection of controlled substances in more sensitive fields such as forensic toxicology, workplace drug testing, doping analysis, and veterinary organic residue control, official guidelines have been released requiring a chromatographic separation and a minimum of two mass spectrometric transitions of the analyte. However alcohol consumption remain suboptimal with regard to sensitivity and specificity. Furthermore, these biomarkers can be influenced by age, gender, and a variety of substances and non-alcohol-associated diseases, and do not fully cover the time axis for alcohol intake. Conjugation of ethanol with activated glucuronic acid in the presence of membrane-bound mitochondrial UDP glucuronyl transferase represents a minor detoxification pathway for ethanol: About 0.02-0.06% (mean) of the dose of ethanol administered is recovered as ␤-D-ethylglucuronide (EtG) in urine in humans [1] and-dose dependent-0.5-1.5% in rabbits [2]. EtG is a non-volatile, water-soluble, stable, direct metabolite of ethanol that can be detected in various body fluids, tissues and hair. EtG (C 8 H 14 O 7 ) has a molecular weight of 222 g/mol, and the melting point (decomposition temperature) is about 150°C. Shortly after the initial consumption of even small amounts of ethanol, EtG is formed. It has been detected in urine up to 80 h after the complete elimination of alcohol from the body and was not detectable in teetotalers with a 0.1 mg/L cut-off [3,4]. EtG is unique in covering this important time span of one to three days after alcohol uptake. In urine, it can be detected longer than ethanol. Therefore, EtG meets the need for a sensitive and specific marker to elucidate alcohol use not detected by

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“…When the results of urine drug testing can affect an individu-al's reputation, job status, or freedom, forensicallyacceptable analytical procedures must be utilized, and the findings legally defensible. For a confirmatory analysis in forensic, veterinary, or environmental toxicology, international guidelines require chromatographic separation and at least one precursor ion with two product ions for compound detection and identification by LC-MS/MS or monitoring of three selected ions with single-stage MS instruments [11][12][13]. LC-ESI-MS/MS seems to be the method of choice for forensic confirmatory analysis of EtS.…”

mentioning

confidence: 99%

Forensic confirmatory analysis of ethyl sulfate—A new marker for alcohol consumption—by liquid-chromatography/electrospray ionization/tandem mass spectrometry

Dresen¹,

Weinmann²,

Wurst

2004

J. Am. Soc. Mass Spectrom.

106

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Ethyl sulfate (EtS)-a new direct marker for ethanol intake besides ethyl glucuronide (EtG) and others-was detected in urine samples by electrospray ionization tandem mass-spectrometry (LC-ESI-MS/MS). Ethyl sulfate sodium salt was used for method development, yielding a precursor [ After addition of D 5 -EtS and D 5 -EtG, urine samples were analyzed by direct injection into the gradient LC-MS/MS system. Analysis was performed in accordance with forensic guidelines for confirmatory analysis using one precursor and two product ions. EtS has been detected (in addition to EtG) in the urine samples of nine volunteers after drinking sparkling wine containing between 9 and 49 g of ethanol. Both EtS and EtG could be detected up to 36 h after consumption of alcohol. The excretion profile was found to be similar to that of EtG. No EtS was found in teetotalers' urine samples. Method validation parameters are presented. EtS was stable in urine upon storage up to twenty days at room temperature. In addition to EtG, EtS can be used to detect recent alcohol consumption, thus providing a second marker for the time range of up to approximately one day after elimination of ethanol from urine samples , and its detection in rat urine after dosing with 35 S-sulfate and ethanol, was performed by thin-layer chromatography and by autoradiographic detection on X-ray films [2]. Lung tissue was found to have the ability to metabolize ethanol via glucuronidation [3] and by sulfation [4,5]. Later, Manautou and Carlson compared the hepatic and pulmonary metabolism via glucuronidation and sulfation in rats and rabbits [6]. Meanwhile, for sulfate conjugation a superfamily of cytosolic sulfotransferases has been described that shows a genetic polymorphism [7]. The conjugation of aliphatic alcohols in humans has been mentioned by Bonte et al. when investigating metabolites of higher aliphatic alcohols [8]; detection was performed indirectly via cleavage by sulfatase followed by analysis of the alcohols. However, no direct analytical method to detect and quantify EtS as a marker for recent ethanol consumption by humans has been available until very recently. Parallel to our work, Helander and Beck have developed an LC-ESI-MS assay using single-quadrupole mode and D 5 -ethyl glucuronide as internal standard for quantitation of EtS in urine samples [9]. However, selected ion monitoring of the deprotonated molecule with a single-stage quadrupole MS cannot be applied to forensic samples as the only method for compound detection, since it does not fulfill forensic criteria to prove compound identity [10]. When the results of urine drug testing can affect an individu-

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Criteria for the identification of compounds by liquid chromatography–mass spectrometry and liquid chromatography–multiple mass spectrometry in forensic toxicology and doping analysis

Cited by 183 publications

References 31 publications

Rapid GC–MS confirmation of amphetamines in urine by extractive acylation

Rapid GC–MS confirmation of amphetamines in urine by extractive acylation

Confirmatory analysis of ethylglucuronide in urine by liquid-chromatography/electrospray ionization/tandem mass spectrometry according to forensic guidelines

Forensic confirmatory analysis of ethyl sulfate—A new marker for alcohol consumption—by liquid-chromatography/electrospray ionization/tandem mass spectrometry

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