Dataset

CHRYSENE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012358 contains the MS mass spectrum of CHRYSENE with the InChIkey WDECIBYCCFPHNR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
SMILES c(c4)cc(c3)c(c4)c(c1)c(c3)c(c2)c(ccc2)c1
InChI Key WDECIBYCCFPHNR-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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP012358
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • chrysene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL85685 chembl
    27115 surechembl
    29355502 surechembl
    29792076 surechembl
    30433768 surechembl
    9171 pubchem
    084HCM49PT fdasrs
    PD126154 probes_and_drugs
    CRYSEN CCDC
    35043 brenda
    HMDB0250216 hmdb
    Molport-001-785-710 molport
    50128870 bindingdb
    The data in this table is sourced from UniChem at EBI.