Dataset

Benzo(b)fluoranthene; GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M]+

This MassBank record with Accession MSBNK-Athens_Univ-AU590620 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-AU590620
Version
Author
Maintainer
Language
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
    34565 ChEBI
    C14320 KEGG Ligand
    CB5302581 ChemicalBook
    CHEMBL1337502 ChEMBL
    DTXSID0023907 EPA CompTox Dashboard
    HMDB0249002 Human Metabolome Database
    ZINC000001570222 ZINC
    J9.273H Nikkaji
    9153 PubChem
    221853 Brenda
    FJO154KG1X FDA SRS
    205-99-2 ACToR
    14995739 PubChem: Thomson Pharma
    493513 eMolecules
    125452 Brenda
    10023416 NMRShiftDB
    MCULE-3372407306 Mcule
    SCHEMBL175779 SureChEMBL
    The data in this table is sourced from UniChem at EBI.