Dataset

Bisphenol Z

This MassBank record with Accession MSBNK-Antwerp_Univ-AN120632 contains the MS2 mass spectrum of Bisphenol Z with the InChIkey SDDLEVPIDBLVHC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2
SMILES C1CCC(CC1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI Key SDDLEVPIDBLVHC-UHFFFAOYSA-N
Molecular Formula C18H20O2
Exact Mass 268.146 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN120632
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:41.251730
MetadataModified 2024-01-11T09:31:41.424414
MetadataPublished 2021-08-11
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0247513 Human Metabolome Database
J39.602H Nikkaji
WETFAD CCDC
165198 ChEBI
ZINC000000225610 ZINC
DTXSID4047963 EPA CompTox Dashboard
DB07485 DrugBank
CHEMBL1231453 ChEMBL
BPZ PDBe
CB0103479 ChemicalBook
509272 eMolecules
SCHEMBL18773 SureChEMBL
64ZF6464QY FDA SRS
MCULE-1277868989 Mcule
232446 PubChem
14799215 PubChem: Thomson Pharma
843-55-0 ACToR
PD005143 ProbesDrugs
The data in this table is sourced from UniChem at EBI.