Dataset

Bisphenol P; LC-ESI-QTOF; MS2; CE: 35eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-AN120531 contains the MS2 mass spectrum of Bisphenol P with the InChIkey GIXXQTYGFOHYPT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H26O2/c1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20/h5-16,25-26H,1-4H3
SMILES CC(C)(C1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI Key GIXXQTYGFOHYPT-UHFFFAOYSA-N
Molecular Formula C24H26O2
Exact Mass 346.193 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-AN120531
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MetadataPublished 2021-08-11
Related Molecule
  • 4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL452151 ChEMBL
    J93.704E Nikkaji
    29338 BindingDB
    ACAYEJ CCDC
    165197 ChEBI
    DTXSID0058693 EPA CompTox Dashboard
    CB3369908 ChemicalBook
    ZINC000002556771 ZINC
    MCULE-9364707458 Mcule
    20208978 NMRShiftDB
    630355 PubChem
    16087299 PubChem: Thomson Pharma
    SCHEMBL27996 SureChEMBL
    509280 eMolecules
    The data in this table is sourced from UniChem at EBI.