Dataset

Bisphenol P

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

Chemical Info

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
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:33:05.869534
MetadataModified 2025-02-08T18:53:13.003977
MetadataPublished 2021-08-11
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.