Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU590619 contains the MS2 mass spectrum of Benzo(b)fluoranthene with the InChIkey FTOVXSOBNPWTSH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H
SMILES C1=CC=C2C(=C1)C1=CC=CC3=C4C=CC=CC4=CC2=C13
InChI Key FTOVXSOBNPWTSH-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-AU590619
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Maintainer
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MetadataPublished 2019-11-21
Related Molecule
  • pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:34565 chebi
    CHEMBL1337502 chembl
    175779 surechembl
    29373899 surechembl
    29503670 surechembl
    30626366 surechembl
    9153 pubchem
    FJO154KG1X fdasrs
    125452 brenda
    221853 brenda
    HMDB0249002 hmdb
    Molport-003-928-970 molport
    Molport-028-746-820 molport
    The data in this table is sourced from UniChem at EBI.