Dataset

4H-cyclopenta[def]phenanthrene-4-one; ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA001401 contains the MS2 mass spectrum of 4H-cyclopenta[def]phenanthrene-4-one with the InChIkey IFCBMPOMNSORDG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H8O/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(15)14(10)13(9)11/h1-8H
SMILES O=C4c2cccc1ccc3c(c12)c4ccc3
InChI Key IFCBMPOMNSORDG-UHFFFAOYSA-N
Molecular Formula C15H8O
Exact Mass 204.058 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-UFZ-UA001401
Version
Author
Maintainer
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MetadataPublished 2014-06-24
Related Molecule
  • tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    31399264 surechembl
    5400415 surechembl
    21963 pubchem
    D32SLO7BUV fdasrs
    HUCWEI CCDC
    The data in this table is sourced from UniChem at EBI.