Dataset

Bisphenol A diglycidyl ether

This MassBank record with Accession MSBNK-Athens_Univ-AU581052 contains the MS2 mass spectrum of Bisphenol A diglycidyl ether with the InChIkey LCFVJGUPQDGYKZ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3
SMILES	CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4
InChI Key	LCFVJGUPQDGYKZ-UHFFFAOYSA-N
Molecular Formula	C21H24O4
Exact Mass	340.168 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU581052
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T10:08:05.738056
MetadataModified	2025-02-08T19:09:06.889920
MetadataPublished	2019-11-23

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
116161-20-7	ACToR
1675-54-3	ACToR
500008-19-5	ACToR
LSM-1345	LINCS
PD020695	ProbesDrugs
2286	PubChem
14875673	PubChem: Thomson Pharma
482902	eMolecules
SCHEMBL22121	SureChEMBL
MCULE-9203373672	Mcule
HMDB0032737	Human Metabolome Database
DB14083	DrugBank
118860	Brenda
F3XRM1NX4H	FDA SRS
34578	ChEBI
DTXSID6024624	EPA CompTox Dashboard
50241439	BindingDB
J14.164J	Nikkaji
DGEBPA	CCDC
CB3749115	ChemicalBook
CHEMBL258558	ChEMBL
C14348	KEGG Ligand
The data in this table is sourced from UniChem at EBI.