Dataset

Bisphenol A bis(diphenyl phosphate)

This MassBank record with Accession MSBNK-Antwerp_Univ-AN118704 contains the MS2 mass spectrum of Bisphenol A bis(diphenyl phosphate) with the InChIkey BQPNUOYXSVUVMY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C39H34O8P2/c1-39(2,31-23-27-37(28-24-31)46-48(40,42-33-15-7-3-8-16-33)43-34-17-9-4-10-18-34)32-25-29-38(30-26-32)47-49(41,44-35-19-11-5-12-20-35)45-36-21-13-6-14-22-36/h3-30H,1-2H3
SMILES CC(C)(C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)OP(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6
InChI Key BQPNUOYXSVUVMY-UHFFFAOYSA-N
Molecular Formula C39H34O8P2
Exact Mass 692.173 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-AN118704
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:35:10.814594
MetadataModified 2025-02-08T18:50:50.515931
MetadataPublished 2021-09-04
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
9874825 PubChem
14839787 PubChem: Thomson Pharma
36788740 eMolecules
SCHEMBL218852 SureChEMBL
CB5875467 ChemicalBook
DTXSID8052720 EPA CompTox Dashboard
HMDB0247001 Human Metabolome Database
J831.763A Nikkaji
ZINC000077273628 ZINC
The data in this table is sourced from UniChem at EBI.