Dataset

Bisphenol AP; LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-AN120232 contains the MS2 mass spectrum of Bisphenol AP with the InChIkey VOWWYDCFAISREI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3
SMILES CC(C1=CC=CC=C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI Key VOWWYDCFAISREI-UHFFFAOYSA-N
Molecular Formula C20H18O2
Exact Mass 290.131 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-Antwerp_Univ-AN120232
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MetadataPublished 2021-08-11
Related Molecule
  • 4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:165234 chebi
    CHEMBL490942 chembl
    27277 surechembl
    623849 pubchem
    A1BUG pdbe
    DTXSID5051444 comptox
    Molport-001-012-290 molport
    29337 bindingdb
    The data in this table is sourced from UniChem at EBI.