Dataset

Fenobucarb

This MassBank record with Accession MSBNK-Eawag-EQ01136604 contains the MS2 mass spectrum of Fenobucarb with the InChIkey DIRFUJHNVNOBMY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)
SMILES CCC(C)C1=CC=CC=C1OC(=O)NC
InChI Key DIRFUJHNVNOBMY-UHFFFAOYSA-N
Molecular Formula C12H17NO2
Exact Mass 207.126 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-EQ01136604
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:46:52.283309
MetadataModified 2025-02-09T10:32:04.589174
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HY-B0835 MedChemExpress
HMDB0252205 Human Metabolome Database
DTXSID4058077 EPA CompTox Dashboard
J3.059G Nikkaji
5MS2P7M0CF FDA SRS
CHEMBL226650 ChEMBL
34304 ChEBI
C14425 KEGG Ligand
CB4163718 ChemicalBook
18395 Brenda
20209687 NMRShiftDB
19588 PubChem
15266453 PubChem: Thomson Pharma
SCHEMBL73674 SureChEMBL
3766-81-2 ACToR
12773-35-2 ACToR
PD119902 ProbesDrugs
502041 eMolecules
The data in this table is sourced from UniChem at EBI.