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Merck
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주요 문서

34535

Supelco

3-Phenoxy-13C6-benzoic acid

PESTANAL®, analytical standard

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About This Item

Linear Formula:
13C6H5OC6H4CO2H
Molecular Weight:
220.17
MDL number:
UNSPSC 코드:
77101502
PubChem Substance ID:
NACRES:
NA.24

Grade

analytical standard

Quality Level

제품 라인

PESTANAL®

유통기한

limited shelf life, expiry date on the label

응용 분야

agriculture

형식

neat

SMILES string

O=C(O)C1=CC(O[13C]2=[13CH][13CH]=[13CH][13CH]=[13CH]2)=CC=C1

InChI

1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)/i1+1,2+1,3+1,6+1,7+1,11+1

InChI key

NXTDJHZGHOFSQG-UJVDBDNBSA-N

일반 설명

3-Phenoxy-13C6-benzoic acid is a 13C6 analog of phenoxybenzoic acid, a metabolite of pyrethroid insecticide, wherein the phenoxy carbons are substituted by 13C6.[1][2][3]

애플리케이션

3-Phenoxy-13C6-benzoic acid may be used as an isotope-labeled pesticide standard to determine the levels of pyrethroid metabolites in human urine[2][3] by liquid chromatography-tandem mass spectrometry (LC-MS/MS) and gas chromatography (GC) coupled to MS/MS.
Isotope-labeled compounds are increasingly used in isotope dilution mass spectrometry (IDMS) for the quantitative analysis of pesticides. The major advantage of using this technique is that the isotope-labeled compounds have nearly the same physical properties as their non-labeled counterpart analogs, and thus show identical behavior during the workup and sample preparation process. This helps in overcoming the problems of matrix effects generally encountered in the usual LC-MS/GC-MS analysis potentially resulting in biased results. By spiking the sample before workup with its isotope labeled analog, the loss of analyte that leads to matrix effects can be determined and compensated.

법적 정보

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable


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문서 라이브러리 방문

A method for the simultaneous quantification of eight metabolites of synthetic pyrethroids in urine of the general population using gas chromatography-tandem mass spectrometry
Schettgen T, et al.
Analytical and Bioanalytical Chemistry, 408(20), 5467-5478 (2016)
Simultaneous determination of five synthetic pyrethroid metabolites in urine by liquid chromatography-tandem mass spectrometry: application to 39 persons without known exposure to pyrethroids
Le Grand R, et al.
Toxicology Letters, 210(2), 248-253 (2012)
Microbial degradation of pesticide residues and an emphasis on the degradation of cypermethrin and 3-phenoxy benzoic acid: a review
Huang Y, et al.
Molecules (Basel), 23(9), 2313-2313 (2018)

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