Dataset

PHENYLPROPIOLIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002232 contains the MS mass spectrum of PHENYLPROPIOLIC ACID METHYL ESTER with the InChIkey JFGWPXKGINUNDH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H8O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,1H3
SMILES COC(=O)C#Cc(c1)cccc1
InChI Key JFGWPXKGINUNDH-UHFFFAOYSA-N
Molecular Formula C10H8O2
Exact Mass 160.052 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-JP002232
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl 3-phenylprop-2-ynoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10412612 surechembl
    124863 surechembl
    138378 pubchem
    DTXSID10197637 comptox
    Molport-001-797-974 molport
    The data in this table is sourced from UniChem at EBI.