Liquid chromatography—electrospray ionization ion trap mass spectrometry for analysis of mesocarb and its metabolites in human urine

Appolonova, Svetlana A.; Shpak, Alexey V.; Semenov, Vitaliy A.

doi:10.1016/j.jchromb.2003.10.071

Cited by 37 publications

(30 citation statements)

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“…Because metabolites retain the basic structure of the parent drug after biotransformation, the mass spectral fragmentation behavior of the parent drug can be used as a structural template for interpreting the structures of metabolites (Appolonova et al, 2004;Chung et al, 2004). Jatrorrhizine ( Fig.…”

Section: Introductionmentioning

confidence: 99%

LC/MS/MS for identification of in vivo and in vitro metabolites of jatrorrhizine

Zhang¹,

Wu²,

Han³

et al. 2008

Biomedical Chromatography

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The in vivo and in vitro metabolism of jatrorrhizine has been investigated using a specific and sensitive LC/MS/MS method. In vivo samples including rat feces, urine and plasma collected separately after dosing healthy rats with jatrorrhizine (34 mg/kg) orally, along with in vitro samples prepared by incubating jatrorrhizine with rat intestinal flora and liver microsome, respectively, were purified using a C(18) solid-phase extraction cartridge. The purified samples were then separated with a reversed-phase C(18) column with methanol-formic acid aqueous solution (70:30, v/v, pH3.5) as mobile phase and detected by on-line MS/MS. The structural elucidation of the metabolites was performed by comparing their molecular weights and product ions with those of the parent drug. As a result, seven new metabolites were found in rat urine, 13 metabolites were detected in rat feces, 11 metabolites were detected in rat plasma, 17 metabolites were identified in intestinal flora incubation solution and nine metabolites were detected in liver microsome incubation solution. The main biotransformation reactions of jatrorrhizine were the hydroxylation reaction, the methylation reaction, the demethylation reaction and the dehydrogenation reaction of parent drug and its relative metabolites. All the results were reported for the first time, except for some of the metabolites in rat urine.

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Section: Introductionmentioning

confidence: 99%

LC/MS/MS for identification of in vivo and in vitro metabolites of jatrorrhizine

Zhang¹,

Wu²,

Han³

et al. 2008

Biomedical Chromatography

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“…As previously described (14), a sensitive and selective method for investigation mesocarb of metabolism in human urine was proposed. Some new metabolites of mesocarb such as two isomers of hydroxymesocarb, two isomers of dihydroxymesocarb, and two isomers of threehydroxymesocarb were found in human urine.…”

Section: Mesocarb and Its Metabolites Urinementioning

confidence: 99%

“…The proposed metabolism pathways of mesocarb are presented in Figure 9. In the case of drug abuse, the free fraction treatment was selected for analysis (14).…”

Section: Plasmamentioning

confidence: 99%

“…In a previous paper (14), we have demonstrated a sensitive and specific method for the confirmation of mesocarb and its metabolites in human urine. Seven various metabolites of mesocarb: mono-, di-, trihydroxylated mesocarb, and the parent drug were detected in human urine after an oral administration of 10 mg (Sydnocarb) using an LC-ESI-MS ion trap system.…”

Section: Introductionmentioning

confidence: 99%

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Validation of Liquid Chromatography-Electrospray Ionization Ion Trap Mass Spectrometry Method for the Determination of Mesocarb in Human Plasma and Urine

Shpak

Appolonova²,

Semenov³

2005

Journal of Chromatographic Science

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Mesocarb metabolism in humans is the target of this investigation. A high-performance liquid chromatographic (LC) method with electrospray ionization (ESI)-ion trap mass spectrometric (MS) detection ion trap "SLIn the case of doping analysis, the reliable detection time for mesocarb (long-life dihydroxymesocarb metabolites of mesocarb) is approximately 10-11 days after the administration of the drug, which is a significant increase over the existing data. The detection of amphetamine in plasma and urine is made using simple flow-injection analysis without a chromatographic separation. The addition-calibration method is used with plasma and urine. The mean recoveries from plasma are 49.2% and 57.4% for mesocarb concentrations of 33.0 and 66.0 ng/mL, respectively, whereas the recoveries from human urine are 76.9% and 81.4% for concentrations of 1 and 2 ng/mL, respectively. Calibration curves (using an internal standard method) are linear (r 2 > 0.9969) for concentrations 0.6 to 67 ng/mL and from 0.05 to 5 ng/mL in plasma and urine, respectively. Both intra-and interassay precision of plasma control samples at 3, 40, and 55 ng/mL are lower than 6.2%, and the concentrations do not deviate for more than -3.4% to 7.3% from their nominal values. In urine, intra-and interassay precision of control samples at 0.08, 1.5, and 3.0 ng/mL is lower than 14.1%, with concentrations not deviating for more than -11.3% to 13.7% from their nominal values. The plasma disappearance curve of the parent drug is obtained. The major pharmacokinetic parameters are calculated.

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“…The identification and structural elucidation of drug metabolites using HPLC-ESI-MS n method are based on the similarity of structural features between the parent drug and its metabolites. Using the product ion mass spectrum of the parent drug as a substructural template, the structure of metabolites may be rapidly characterized even without standards of metabolites (Appolpnova et al, 2004).…”

Section: Introductionmentioning

confidence: 99%

Identification of key metabolites of tectorigenin in rat urine by HPLC‐MSⁿ

Zhang

Yang

Lei-Xu

et al. 2008

Biomedical Chromatography

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This is a report about the identification of key metabolites of tectorigenin in rat urine using high-performance liquid chromatography-electrospray ionization ion trap tandem mass spectrometric method (HPLC-ESI-MS(n)). Six healthy rats were administered a single dose (80 mg/kg) of tectorigenin by oral gavage. Urine was sampled for 0-24 h and centrifuged at 12,000 rpm for 10 min to obtain the supernatants, then the supernatants were purified by solid-phase extraction with a C(18) cartridge. The chromatographic separation was carried out on a reversed-phase C(18) column with a gradient elution program whereas acetonitrile-0.1% formic acid water was used as mobile phase. Mass spectra were acquired in negative ionization mode and a data-dependant scan was used for the identification of the key metabolites of tectorigenin in the urine samples. As a result, four phase II metabolites and the parent drug tectorigenin were found and identified in rat urine for the first time.

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Liquid chromatography—electrospray ionization ion trap mass spectrometry for analysis of mesocarb and its metabolites in human urine

Cited by 37 publications

References 5 publications

LC/MS/MS for identification of in vivo and in vitro metabolites of jatrorrhizine

LC/MS/MS for identification of in vivo and in vitro metabolites of jatrorrhizine

Validation of Liquid Chromatography-Electrospray Ionization Ion Trap Mass Spectrometry Method for the Determination of Mesocarb in Human Plasma and Urine

Identification of key metabolites of tectorigenin in rat urine by HPLC‐MSⁿ

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Liquid chromatography—electrospray ionization ion trap mass spectrometry for analysis of mesocarb and its metabolites in human urine

Cited by 37 publications

References 5 publications

LC/MS/MS for identification of in vivo and in vitro metabolites of jatrorrhizine

LC/MS/MS for identification of in vivo and in vitro metabolites of jatrorrhizine

Validation of Liquid Chromatography-Electrospray Ionization Ion Trap Mass Spectrometry Method for the Determination of Mesocarb in Human Plasma and Urine

Identification of key metabolites of tectorigenin in rat urine by HPLC‐MSn

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Identification of key metabolites of tectorigenin in rat urine by HPLC‐MSⁿ