Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU254701 contains the MS2 mass spectrum of Quinoxyfen with the InChIkey WRPIRSINYZBGPK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H
SMILES FC1=CC=C(OC2=C3C(Cl)=CC(Cl)=CC3=NC=C2)C=C1
InChI Key WRPIRSINYZBGPK-UHFFFAOYSA-N
Molecular Formula C15H8Cl2FNO
Exact Mass 306.997 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-AU254701
Version
Author
Maintainer
Language
MetadataPublished 2019-05-29
Related Molecule
  • 5,7-dichloro-4-(4-fluorophenoxy)quinoline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1869863 ChEMBL
    C18892 KEGG Ligand
    J907.013C Nikkaji
    HMDB0257055 Human Metabolome Database
    DTXSID2034881 EPA CompTox Dashboard
    CB7757516 ChemicalBook
    ZINC000006896340 ZINC
    3391107 PubChem
    124495-18-7 ACToR
    SCHEMBL22257 SureChEMBL
    14874122 PubChem: Thomson Pharma
    PPC78J1VCW FDA SRS
    82040 ChEBI
    PD119070 ProbesDrugs
    511372 eMolecules
    The data in this table is sourced from UniChem at EBI.