3-Phenoxy-13C6-benzoic acid
SIAL/34535 - PESTANAL®, analytical standard
Empirical Formula (Hill Notation): 13C6C7H10O3
Molecular Weight: 220.17
MDL Number: MFCD09038613
Linear Formula: 13C6H5OC6H4CO2H
Product Type: Chemical
application(s) | agriculture |
format | neat |
grade | analytical standard |
InChI | 1S/C13H10O3/c14-13(15)10- |
InChI key | NXTDJHZGHOFSQG-UJVDBDNBSA |
product line | PESTANAL® |
Quality Level | 100 ![]() |
shelf life | limited shelf life, expiry date on the label |
SMILES string | O=C(O)C1=CC(O[13C]2=[13CH |
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. |
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. |
Legal Information: | PESTANAL is a registered trademark of Sigma-Aldrich International GmbH |
Symbol | ![]() ![]() |
Signal word | Warning |
Hazard statements | H315 - H319 - H335 - H400 |
Precautionary statements | P273 - P280 - P304 + P340 + P312 - P305 + P351 + P338 - P337 + P313 - P391 |
RIDADR | UN 3077 9 / PGIII |
WGK Germany | WGK 3 |
Flash Point(F) | Not applicable |
Flash Point(C) | Not applicable |
UNSPSC | 77101502 |