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About This Item
Empirical Formula (Hill Notation):
C10D5H14N5O
CAS Number:
Molecular Weight:
230.32
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
grade
analytical standard
Quality Level
product line
PESTANAL®
shelf life
limited shelf life, expiry date on the label
application(s)
agriculture
environmental
format
neat
SMILES string
CC(CC)NC1=NC(NC([2H])([2H])C([2H])([2H])[2H])=NC(OC)=N1
InChI
1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)/i2D3,6D2
InChI key
ZJMZZNVGNSWOOM-QKLSXCJMSA-N
General description
Secbumeton-(ethyl-d5) is an isotope labeled analog of the triazine herbicide secbumeton, wherein the N-ethyl protons are replaced by deuterium.
Application
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
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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Determination of triazine herbicides in vegetables by ionic liquid foam floatation solid phase extraction high performance liquid chromatography
Zhang L, et al.
Journal of Chromatography. B, Biomedical Applications, 953, 132-137 (2014)
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