Dataset

METHYL 4,5,9,10-TETRAHYDRO-2-PYRENYL KETONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009667 contains the MS mass spectrum of METHYL 4,5,9,10-TETRAHYDRO-2-PYRENYL KETONE with the InChIkey INKIBYZEUXUPPA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H16O/c1-11(19)16-9-14-7-5-12-3-2-4-13-6-8-15(10-16)18(14)17(12)13/h2-4,9-10H,5-8H2,1H3
SMILES CC(=O)c(c4)cc(C3)c(c14)c(c2C3)c(ccc2)CC1
InChI Key INKIBYZEUXUPPA-UHFFFAOYSA-N
Molecular Formula C18H16O
Exact Mass 248.120 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-JP009667
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MetadataPublished 2016-01-19
Related Molecule
  • 1-(4,5,9,10-tetrahydropyren-2-yl)ethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    187338 PubChem
    DEVPUS CCDC
    J354.714K Nikkaji
    DTXSID00232001 EPA CompTox Dashboard
    82799-67-5 ACToR
    The data in this table is sourced from UniChem at EBI.