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34535
3-Phenoxy-13C6-benzoesäure
PESTANAL®, analytical standard
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Lineare Formel:
13C6H5OC6H4CO2H
Molekulargewicht:
220.17
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
77101502
MDL number:
grade
analytical standard
Quality Level
product line
PESTANAL®
shelf life
limited shelf life, expiry date on the label
application(s)
agriculture
format
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
General description
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.
Application
3-Phenoxy-13C6-benzoic acid may be used as an isotope-labeled pesticide standard to determine the levels of pyrethroid metabolites in human urine 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.
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.
Legal Information
PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany
Lagerklasse
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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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)
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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 34535-10MG | 04061826760611 |
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