Dataset

3-Phenoxybenzoic acid; ESI-QTOF; MS2; CE: 40; [M-H]-

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT000464 contains the MS2 mass spectrum of 3-Phenoxybenzoic acid with the InChIkey NXTDJHZGHOFSQG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
SMILES OC(=O)C1=CC(=CC=C1)OC1C=CC=CC=1
InChI Key NXTDJHZGHOFSQG-UHFFFAOYSA-N
Molecular Formula C13H10O3
Exact Mass 214.063 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-EPA-ENTACT_AGILENT000464
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MetadataPublished 2023-05-02
Related Molecule
  • 3-phenoxybenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:72631 chebi
    VJJ rcsb_pdb
    CHEMBL663 chembl
    128732 surechembl
    29522837 surechembl
    19539 pubchem
    69DC2655VH fdasrs
    PD155931 probes_and_drugs
    GAZTAG CCDC
    28343 brenda
    VJJ pdbe
    HMDB0041807 hmdb
    DTXSID1038321 comptox
    Molport-000-158-156 molport
    50060998 bindingdb
    The data in this table is sourced from UniChem at EBI.