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3-Phenoxy-13C6-benzoic acid

PESTANAL®, analytical standard

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About This Item

Formula condensata:
13C6H5OC6H4CO2H
Peso molecolare:
220.17
Numero MDL:
MFCD09038613
Codice UNSPSC:
77101502
ID PubChem:
329755022
NACRES:
NA.24

Grado

analytical standard

Livello qualitativo

100

Nome Commerciale

PESTANAL®

Durata

limited shelf life, expiry date on the label

applicazioni

agriculture

Formato

neat

Stringa SMILE

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
NXTDJHZGHOFSQG-UJVDBDNBSA-N

Descrizione generale

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.

Applicazioni

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.

Note legali

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

Codice della classe di stoccaggio

11 - Combustible Solids

Classe di pericolosità dell'acqua (WGK)

WGK 3

Punto d’infiammabilità (°F)

Not applicable

Punto d’infiammabilità (°C)

Not applicable

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Certificati d'analisi (COA)

Lot/Batch Number
BCCG0633
BCBZ8743
BCBS4510V
SZBF177XV

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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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