Dataset

o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

This MassBank record with Accession MSBNK-Keio_Univ-KO000788 contains the MS2 mass spectrum of o-Fluorobenzoic acid with the InChIkey NSTREUWFTAOOKS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
SMILES OC(=O)c(c1)c(F)ccc1
InChI Key NSTREUWFTAOOKS-UHFFFAOYSA-N
Molecular Formula C7H5FO2
Exact Mass 140.027 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-Keio_Univ-KO000788
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-fluorobenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:19577 chebi
    3U4 rcsb_pdb
    CHEMBL114383 chembl
    29362443 surechembl
    97828 surechembl
    9935 pubchem
    64UZ32KOO4 fdasrs
    FBENZA CCDC
    104546 brenda
    106910 brenda
    32702 brenda
    Molport-000-145-907 molport
    The data in this table is sourced from UniChem at EBI.