Dataset

Diphacinone

This MassBank record with Accession MSBNK-Eawag-EQ01094256 contains the MS2 mass spectrum of Diphacinone with the InChIkey JYGLAHSAISAEAL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H
SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3C(=O)C4=CC=CC=C4C3=O
InChI Key JYGLAHSAISAEAL-UHFFFAOYSA-N
Molecular Formula C23H16O3
Exact Mass 340.110 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01094256
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:30:28.006668
MetadataModified 2025-02-09T10:31:47.513152
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
6719 PubChem
DB13347 DrugBank
DTXSID4032378 EPA CompTox Dashboard
HMDB0251443 Human Metabolome Database
4450 DrugCentral
81896 ChEBI
J3.868G Nikkaji
CHEMBL1413199 ChEMBL
C18698 KEGG Ligand
54CA01C6JX FDA SRS
PD013527 ProbesDrugs
82-66-6 ACToR
15495867 PubChem: Thomson Pharma
636962 eMolecules
MCULE-7289749613 Mcule
SCHEMBL43891 SureChEMBL
ZINC000100044649 ZINC
37556 Brenda
The data in this table is sourced from UniChem at EBI.