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经验公式(希尔记法):
13C2C5D3H11N2O4S
化学文摘社编号:
分子量:
227.27
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
77101502
MDL number:
InChI
1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+/i3+1D3,6+1
SMILES string
[2H][13C]([2H])([2H])N[13C](=O)O\N=C\C(C)(C)S(C)(=O)=O
InChI key
YRRKLBAKDXSTNC-FONWFMSDSA-N
grade
analytical standard
product line
PESTANAL®
assay
≥98.5% (HPLC)
shelf life
limited shelf life, expiry date on the label
mp
132-135 °C (lit.)
application(s)
agriculture
environmental
format
neat
mass shift
M+5
Quality Level
General description
Aldicarb-(N-methyl-13C,d3, carbamoyl-13C) sulfone is an isotope-labeled analog of aldicarb, a carbamate pesticide, used as an insecticide and nematicide for the control of pests in agriculture.
Application
Isotope-labeled compounds are increasingly used in isotope dilution mass spectrometry (IDMS) for the quantitative analysis of pesticides. The main advantage of using the IDMS technique is because isotope-labeled compounds have nearly the same physical properties as their non-labeled counterpart analog, 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.
Analysis Note
Isotopic enrichment atom%: ≥ 98.0
Legal Information
PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 2 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 2 Oral
存储类别
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Chronic exposure to aldicarb-contaminated groundwater and human immune function
Fiore CM, et al.
Environmental Research, 41(2), 633-645 (1986)
Determination of aldicarb, aldicarb oxime, and aldicarb nitrile in water by gas chromatography/mass spectrometry.
Trehy ML, et al.
Analytical Chemistry, 56(8), 1281-1285 (1984)
Aldicarb poisoning
Ragouc-Sengler C, et al.
Human & Experimental Toxicology, 19(12), 657-662 (2000)
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