Dataset

3-PHENYLPROPIONIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008311 contains the MS mass spectrum of 3-PHENYLPROPIONIC ACID METHYL ESTER with the InChIkey RPUSRLKKXPQSGP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
SMILES COC(=O)CCc(c1)cccc1
InChI Key RPUSRLKKXPQSGP-UHFFFAOYSA-N
Molecular Formula C10H12O2
Exact Mass 164.084 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-JP008311
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl 3-phenylpropanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:89875 chebi
    LMFA07010951 lipidmaps
    CHEMBL2252087 chembl
    168711 surechembl
    7643 pubchem
    111LC1GI10 fdasrs
    PD158255 probes_and_drugs
    HMDB0030060 hmdb
    DTXSID2059271 comptox
    Molport-002-040-582 molport
    The data in this table is sourced from UniChem at EBI.