Dataset

ETHYL CINNAMATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008520 contains the MS mass spectrum of ETHYL CINNAMATE with the InChIkey KBEBGUQPQBELIU-CMDGGOBGSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
SMILES CCOC(=O)C=Cc(c1)cccc1
InChI Key KBEBGUQPQBELIU-CMDGGOBGSA-N
Molecular Formula C11H12O2
Exact Mass 176.084 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-JP008520
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • ethyl (E)-3-phenylprop-2-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    637758 PubChem
    PD158441 ProbesDrugs
    C023P3M5JJ FDA SRS
    15219600 PubChem: Thomson Pharma
    4192-77-2 ACToR
    103-36-6 ACToR
    SCHEMBL112445 SureChEMBL
    478796 eMolecules
    107401 Brenda
    ZINC000012358720 ZINC
    140064 Brenda
    CB9226049 ChemicalBook
    10009219 NMRShiftDB
    10025085 NMRShiftDB
    C06359 KEGG Ligand
    CHEMBL318196 ChEMBL
    CB04796895 ChemicalBook
    HY-Y0121 MedChemExpress
    4895 ChEBI
    BIDMOQ CCDC
    J2.849E Nikkaji
    J45.977A Nikkaji
    The data in this table is sourced from UniChem at EBI.