Dataset

Flunixin

This MassBank record with Accession MSBNK-Athens_Univ-AU114802 contains the MS2 mass spectrum of Flunixin with the InChIkey NOOCSNJCXJYGPE-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)
SMILES	Cc1c(cccc1Nc2c(cccn2)C(=O)O)C(F)(F)F
InChI Key	NOOCSNJCXJYGPE-UHFFFAOYSA-N
Molecular Formula	C14H11F3N2O2
Exact Mass	296.077 g/mol

Data and Resources

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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-AU114802
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:44:07.528989
MetadataModified	2024-01-11T09:44:07.675710
MetadataPublished	2015-09-23

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1617398	ChEMBL
JBO	PDBe
901903	eMolecules
FLUNIXIN MEGLUMINE	rxnorm
FLUNIXIN	rxnorm
ZINC000000001467	ZINC
DTXSID4048565	EPA CompTox Dashboard
DB11518	DrugBank
50201618	BindingDB
CB2471194	ChemicalBook
HMDB0252340	Human Metabolome Database
J15.816J	Nikkaji
SCHEMBL42911	SureChEMBL
76138	ChEBI
CUGDAM	CCDC
PD013311	ProbesDrugs
38677-85-9	ACToR
15072570	PubChem: Thomson Pharma
38081	PubChem
356IB1O400	FDA SRS
The data in this table is sourced from UniChem at EBI.