Dataset

Ofurace

This MassBank record with Accession MSBNK-Eawag-EQ01128714 contains the MS2 mass spectrum of Ofurace with the InChIkey OWDLFBLNMPCXSD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3
SMILES CC1=C(C(=CC=C1)C)N(C2CCOC2=O)C(=O)CCl
InChI Key OWDLFBLNMPCXSD-UHFFFAOYSA-N
Molecular Formula C14H16ClNO3
Exact Mass 281.082 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-EQ01128714
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:18:31.428126
MetadataModified 2025-02-09T09:58:44.592730
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
82792 ChEBI
42850 PubChem
SCHEMBL20511 SureChEMBL
510104 eMolecules
24261532 PubChem: Thomson Pharma
58810-48-3 ACToR
J13.844D Nikkaji
E42Y2VBK3D FDA SRS
CB2460987 ChemicalBook
DTXSID6058138 EPA CompTox Dashboard
C18800 KEGG Ligand
The data in this table is sourced from UniChem at EBI.