Dataset

1,3-DIPHENYL-2-PROPEN-1-ONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005267 contains the MS mass spectrum of 1,3-DIPHENYL-2-PROPEN-1-ONE with the InChIkey DQFBYFPFKXHELB-VAWYXSNFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
SMILES O=C(C=Cc(c2)cccc2)c(c1)cccc1
InChI Key DQFBYFPFKXHELB-VAWYXSNFSA-N
Molecular Formula C15H12O
Exact Mass 208.089 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-JP005267
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (E)-1,3-diphenylprop-2-en-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HY-121054 MedChemExpress
    29143 BindingDB
    J4.699J Nikkaji
    BZYACO CCDC
    J151.129G Nikkaji
    69368 Brenda
    C01484 KEGG Ligand
    CHEMBL7976 ChEMBL
    48965 ChEBI
    C15589 KEGG Ligand
    DTXSID20873536 EPA CompTox Dashboard
    CB7746253 ChemicalBook
    CB0746254 ChemicalBook
    ZINC000038139289 ZINC
    MTBLC48965 Metabolights
    68884 Brenda
    107399 Brenda
    3804 Brenda
    HMDB0003066 Human Metabolome Database
    MCULE-3405447576 Mcule
    16936955 PubChem: Thomson Pharma
    637760 PubChem
    60030789 NMRShiftDB
    PD087238 ProbesDrugs
    94-41-7 ACToR
    614-47-1 ACToR
    SCHEMBL27580 SureChEMBL
    5S5A2Q39HX FDA SRS
    479448 eMolecules
    The data in this table is sourced from UniChem at EBI.