Dataset

Benzo(k)fluoranthene; GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU590803 contains the MS2 mass spectrum of Benzo(k)fluoranthene with the InChIkey HAXBIWFMXWRORI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H
SMILES C1=CC2=CC3=C(C=C2C=C1)C1=C2C3=CC=CC2=CC=C1
InChI Key HAXBIWFMXWRORI-UHFFFAOYSA-N
Molecular Formula C20H12
Exact Mass 252.094 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-AU590803
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MetadataPublished 2019-11-21
Related Molecule
  • benzo[k]fluoranthene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    479783 eMolecules
    15590344 PubChem: Thomson Pharma
    207-08-9 ACToR
    U0P6LY48VF FDA SRS
    9158 PubChem
    MCULE-7655840980 Mcule
    SCHEMBL175484 SureChEMBL
    ZINC000002507978 ZINC
    138837 Brenda
    CHEMBL1441574 ChEMBL
    C14321 KEGG Ligand
    34569 ChEBI
    J35.618B Nikkaji
    HMDB0249011 Human Metabolome Database
    MEQPOR CCDC
    DTXSID0023909 EPA CompTox Dashboard
    CB0727341 ChemicalBook
    174460 Brenda
    The data in this table is sourced from UniChem at EBI.