Dataset

Benz[a]anthracene; GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M]+

This MassBank record with Accession MSBNK-Athens_Univ-AU590417 contains the MS2 mass spectrum of Benz[a]anthracene with the InChIkey DXBHBZVCASKNBY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H
SMILES C1=CC2=C(C=C1)C=C1C(C=CC3=C1C=CC=C3)=C2
InChI Key DXBHBZVCASKNBY-UHFFFAOYSA-N
Molecular Formula C18H12
Exact Mass 228.094 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-AU590417
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MetadataPublished 2019-11-21
Related Molecule
  • benzo[a]anthracene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1873684 chembl
    29352401 surechembl
    29362929 surechembl
    30384949 surechembl
    55324 surechembl
    5954 pubchem
    C5PLF6152K fdasrs
    BEANTR CCDC
    105519 brenda
    125451 brenda
    56767 brenda
    CHEBI:51348 chebi
    HMDB0248969 hmdb
    Molport-001-785-819 molport
    The data in this table is sourced from UniChem at EBI.