Dataset

3-(4-FLUOROBENZOYL)PROPIONIC ACID; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011307 contains the MS mass spectrum of 3-(4-FLUOROBENZOYL)PROPIONIC ACID with the InChIkey WUYWHIAAQYQKPP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
SMILES OC(=O)CCC(=O)c(c1)ccc(F)c1
InChI Key WUYWHIAAQYQKPP-UHFFFAOYSA-N
Molecular Formula C10H9FO3
Exact Mass 196.054 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-JP011307
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-(4-fluorophenyl)-4-oxobutanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:194800 chebi
    VP3 rcsb_pdb
    CHEMBL3544869 chembl
    315309 surechembl
    101359 pubchem
    V2Z6N6JC9Z fdasrs
    HMDB0245781 hmdb
    Molport-000-146-848 molport
    The data in this table is sourced from UniChem at EBI.