Dataset

Ethiprole

This MassBank record with Accession MSBNK-Eawag-EQ01124604 contains the MS2 mass spectrum of Ethiprole with the InChIkey FNELVJVBIYMIMC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H9Cl2F3N4OS/c1-2-24(23)11-9(5-19)21-22(12(11)20)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,2,20H2,1H3
SMILES CCS(=O)C1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N
InChI Key FNELVJVBIYMIMC-UHFFFAOYSA-N
Molecular Formula C13H9Cl2F3N4OS
Exact Mass 395.983 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-EQ01124604
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:45:34.946117
MetadataModified 2025-02-09T09:55:08.299037
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
9930667 PubChem
J1.979.586A Nikkaji
5527E53JNB FDA SRS
81827 ChEBI
DTXSID6058003 EPA CompTox Dashboard
C18552 KEGG Ligand
181587-01-9 ACToR
SCHEMBL27048 SureChEMBL
14903421 PubChem: Thomson Pharma
499216 eMolecules
CHEMBL2228921 ChEMBL
The data in this table is sourced from UniChem at EBI.