Dataset

Diflubenzuron; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU338801 contains the MS2 mass spectrum of Diflubenzuron with the InChIkey QQQYTWIFVNKMRW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)
SMILES FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1
InChI Key QQQYTWIFVNKMRW-UHFFFAOYSA-N
Molecular Formula C14H9ClF2N2O2
Exact Mass 310.032 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU338801
Version
Author
Maintainer
Language
MetadataPublished 2015-12-09
Related Molecule
  • N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    37123 PubChem
    PD000583 ProbesDrugs
    J76U6ZSI8D FDA SRS
    14800952 PubChem: Thomson Pharma
    104790-81-0 ACToR
    35367-38-5 ACToR
    509740 eMolecules
    CB8162496 ChemicalBook
    44046 Brenda
    HMDB0031778 Human Metabolome Database
    SCHEMBL42416 SureChEMBL
    MCULE-6280315206 Mcule
    CHEMBL49338 ChEMBL
    34703 ChEBI
    C14427 KEGG Ligand
    DIFLUBENZURON rxnorm
    HY-B1973 MedChemExpress
    DTXSID1024049 EPA CompTox Dashboard
    CPFBUR CCDC
    J1.888K Nikkaji
    ZINC000000236891 ZINC
    The data in this table is sourced from UniChem at EBI.