所有图片(1)
About This Item
线性分子式:
13C6H5OC6H4CO2H
分子量:
220.17
MDL编号:
UNSPSC代码:
77101502
PubChem化学物质编号:
NACRES:
NA.24
推荐产品
等级
analytical standard
质量水平
产品线
PESTANAL®
保质期
limited shelf life, expiry date on the label
应用
agriculture
包装形式
neat
SMILES字符串
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
一般描述
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.
应用
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.
法律信息
PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany
储存分类代码
11 - Combustible Solids
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
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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