Dataset

Bromfenac

This MassBank record with Accession MSBNK-Eawag-EQ01076002 contains the MS2 mass spectrum of Bromfenac with the InChIkey ZBPLOVFIXSTCRZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)
SMILES C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)O
InChI Key ZBPLOVFIXSTCRZ-UHFFFAOYSA-N
Molecular Formula C15H12BrNO3
Exact Mass 333.000 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-EQ01076002
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:01:23.612569
MetadataModified 2025-02-09T10:01:23.770951
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB00963 DrugBank
240107 ChEBI
CHEMBL1077 ChEMBL
BROMSITE rxnorm
BROMFENAC SODIUM rxnorm
50248104 BindingDB
BROMDAY clinicaltrials
BROMFENAC clinicaltrials
BROMFENAC SODIUM clinicaltrials
BROMSITE clinicaltrials
ISV-303 clinicaltrials
YELLOX clinicaltrials
XIBROM clinicaltrials
DTXSID7040655 EPA CompTox Dashboard
401 DrugCentral
BROMFENAC rxnorm
BROMFENAC DailyMed
PROLENSA rxnorm
J34.696I Nikkaji
7131 Guide to Pharmacology
CB82130312 ChemicalBook
CB8117032 ChemicalBook
bromfenac DailyMed
ZINC000002570817 ZINC
HMDB0015098 Human Metabolome Database
PA448670 PharmGKB
SCHEMBL34411 SureChEMBL
27R PDBe
60726 PubChem
PD009615 ProbesDrugs
LSM-5585 LINCS
91714-94-2 ACToR
BROMFENAC SODIUM HYDRATE clinicaltrials
14802056 PubChem: Thomson Pharma
864P0921DW FDA SRS
875960 eMolecules
The data in this table is sourced from UniChem at EBI.