Dataset

4-PHENYLBUTYRIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004233 contains the MS mass spectrum of 4-PHENYLBUTYRIC ACID METHYL ESTER with the InChIkey YRYZGVBKMWFWGT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H14O2/c1-13-11(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
SMILES COC(=O)CCCc(c1)cccc1
InChI Key YRYZGVBKMWFWGT-UHFFFAOYSA-N
Molecular Formula C11H14O2
Exact Mass 178.099 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-JP004233
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • methyl 4-phenylbutanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:173827 chebi
    LMFA07010955 lipidmaps
    CHEMBL5206604 chembl
    162806 surechembl
    281254 pubchem
    YMR11U800F fdasrs
    HMDB0036385 hmdb
    DTXSID90174421 comptox
    Molport-002-474-186 molport
    The data in this table is sourced from UniChem at EBI.