Dataset

Carbofuran; ESI-QTOF; MS2; CE: 40; [M+H]+

This MassBank record with Accession MSBNK-AGILENT-AG000054 contains the MS2 mass spectrum of Carbofuran with the InChIkey DUEPRVBVGDRKAG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
SMILES CNC(=O)OC1=CC=CC2CC(C)(C)OC1=2
InChI Key DUEPRVBVGDRKAG-UHFFFAOYSA-N
Molecular Formula C12H15NO3
Exact Mass 221.105 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000054
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MetadataPublished 2023-02-17
Related Molecule
  • (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C14291 KEGG Ligand
    34611 ChEBI
    CHEMBL416081 ChEMBL
    DTXSID9020249 EPA CompTox Dashboard
    50064619 BindingDB
    FOMWAG CCDC
    J3.369C Nikkaji
    ZINC000000056963 ZINC
    2566 PubChem
    14892315 PubChem: Thomson Pharma
    PD080593 ProbesDrugs
    LSM-3186 LINCS
    1563-66-2 ACToR
    SCHEMBL21656 SureChEMBL
    SKF77S6Y67 FDA SRS
    507164 eMolecules
    HMDB0031770 Human Metabolome Database
    8632 Brenda
    20039305 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.