Dataset

Benoxacor

This MassBank record with Accession MSBNK-Eawag-EQ00350501 contains the MS2 mass spectrum of Benoxacor with the InChIkey PFJJMJDEVDLPNE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3
SMILES CC1COC2=CC=CC=C2N1C(=O)C(Cl)Cl
InChI Key PFJJMJDEVDLPNE-UHFFFAOYSA-N
Molecular Formula C11H11Cl2NO2
Exact Mass 259.017 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-EQ00350501
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:05:24.613564
MetadataModified 2025-02-09T10:05:24.801768
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL2269059 ChEMBL
MCULE-4065052726 Mcule
24559 Brenda
62306 PubChem
SCHEMBL122820 SureChEMBL
16277764 PubChem: Thomson Pharma
98730-04-2 ACToR
510660 eMolecules
C10964 KEGG Ligand
CB9187252 ChemicalBook
J438.573J Nikkaji
UAI2652GEV FDA SRS
3016 ChEBI
DTXSID3029572 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.