Dataset

Dichlobenil; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00008404 contains the MS2 mass spectrum of Dichlobenil with the InChIkey YOYAIZYFCNQIRF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
SMILES ClC1=CC=CC(Cl)=C1C#N
InChI Key YOYAIZYFCNQIRF-UHFFFAOYSA-N
Molecular Formula C7H3Cl2N
Exact Mass 170.964 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-Eawag-EQ00008404
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Maintainer
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MetadataPublished 2024-06-14
Related Molecule
  • 2,6-dichlorobenzonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    943 ChEBI
    C11040 KEGG Ligand
    HMDB0245512 Human Metabolome Database
    FUQJEG CCDC
    ZINC000000157318 ZINC
    DTXSID5032365 EPA CompTox Dashboard
    J3.365K Nikkaji
    37993 Brenda
    CHEMBL3039332 ChEMBL
    3031 PubChem
    LSM-19017 LINCS
    N42NR4196R FDA SRS
    1194-65-6 ACToR
    104809-79-2 ACToR
    14867520 PubChem: Thomson Pharma
    500429 eMolecules
    CB4159964 ChemicalBook
    MCULE-1360009724 Mcule
    20040 NMRShiftDB
    SCHEMBL55606 SureChEMBL
    The data in this table is sourced from UniChem at EBI.