34535

3-Phenoxy-¹³C₆-benzoic acid

PESTANAL^®, analytical standard

• Linear Formula: ¹³C₆H₅OC₆H₄CO₂H
• Molecular Weight: 220.17
• MDL number: MFCD09038613
• UNSPSC Code: 77101502
• PubChem Substance ID: 329755022
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• 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

Description

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.

Legal Information

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

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable