Dataset

4-Phenoxyphenol; LC-ESI-QTOF; MS2; 50 V

This MassBank record with Accession MSBNK-BAFG-CSL2311092364 contains the MS2 mass spectrum of 4-Phenoxyphenol with the InChIkey ZSBDGXGICLIJGD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
SMILES Oc1ccc(Oc2ccccc2)cc1
InChI Key ZSBDGXGICLIJGD-UHFFFAOYSA-N
Molecular Formula C12H10O2
Exact Mass 186.068 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311092364
Version
Author
Maintainer
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MetadataPublished 2023-11-09
Related Molecule
  • 4-phenoxyphenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14772832 PubChem: Thomson Pharma
    831-82-3 ACToR
    SCHEMBL74847 SureChEMBL
    13254 PubChem
    490253 eMolecules
    HX8 PDBe
    CB6371188 ChemicalBook
    MCULE-3440699625 Mcule
    D83R742GJR FDA SRS
    39264 ChEBI
    CHEMBL224318 ChEMBL
    225238 Brenda
    398051 BindingDB
    DTXSID2022127 EPA CompTox Dashboard
    RAVCAU CCDC
    J94.839J Nikkaji
    ZINC000000158246 ZINC
    The data in this table is sourced from UniChem at EBI.