Dataset

Ethopabate

This MassBank record with Accession MSBNK-Athens_Univ-AU108403 contains the MS2 mass spectrum of Ethopabate with the InChIkey GOVWOKSKFSBNGD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)
SMILES CCOc1cc(ccc1C(=O)OC)NC(=O)C
InChI Key GOVWOKSKFSBNGD-UHFFFAOYSA-N
Molecular Formula C12H15NO4
Exact Mass 237.100 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-Athens_Univ-AU108403
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:59:31.851378
MetadataModified 2025-02-08T19:00:25.242334
MetadataPublished 2015-09-22
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB1307306 ChemicalBook
6034 PubChem
PD000421 ProbesDrugs
15069079 PubChem: Thomson Pharma
SCHEMBL540932 SureChEMBL
59-06-3 ACToR
F4X3L6068O FDA SRS
183844 ChEBI
474360 eMolecules
CHEMBL458769 ChEMBL
ETHOPABATE rxnorm
50240106 BindingDB
HY-B2138 MedChemExpress
GAVQEA CCDC
ZINC000000001387 ZINC
J4.596I Nikkaji
DTXSID6046264 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.