Dataset

Fenuron; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU261103 contains the MS2 mass spectrum of Fenuron with the InChIkey XXOYNJXVWVNOOJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)
SMILES CN(C)C(=O)NC1=CC=CC=C1
InChI Key XXOYNJXVWVNOOJ-UHFFFAOYSA-N
Molecular Formula C9H12N2O
Exact Mass 164.095 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-Athens_Univ-AU261103
Version
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Maintainer
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MetadataPublished 2019-05-30
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    C11224 KEGG Ligand
    J8.623A Nikkaji
    DTXSID7037551 EPA CompTox Dashboard
    JODTOL CCDC
    ZINC000000097471 ZINC
    252416 Brenda
    5013 Rhea
    5013 ChEBI
    CB2724915 ChemicalBook
    MCULE-4375507264 Mcule
    509860 eMolecules
    O7L040435W FDA SRS
    SCHEMBL62004 SureChEMBL
    7560 PubChem
    101-42-8 ACToR
    14769532 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.