Dataset

Bisphenol AP

This MassBank record with Accession MSBNK-Antwerp_Univ-AN120229 contains the MS2 mass spectrum of Bisphenol AP with the InChIkey VOWWYDCFAISREI-UHFFFAOYSA-N.

Chemical Info

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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN120229
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:22.219305
MetadataModified 2024-01-11T09:30:22.398508
MetadataPublished 2021-08-11
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB6334248 ChemicalBook
165234 ChEBI
DTXSID5051444 EPA CompTox Dashboard
ZINC000003864929 ZINC
29337 BindingDB
623849 PubChem
14824831 PubChem: Thomson Pharma
SCHEMBL27277 SureChEMBL
20209620 NMRShiftDB
J93.703G Nikkaji
MCULE-7803985930 Mcule
CHEMBL490942 ChEMBL
509276 eMolecules
The data in this table is sourced from UniChem at EBI.