Dataset

Flurbiprofen

This MassBank record with Accession MSBNK-Waters-WA001464 contains the MS mass spectrum of Flurbiprofen with the InChIkey SYTBZMRGLBWNTM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
SMILES OC(=O)C(C)c(c2)cc(F)c(c2)c(c1)cccc1
InChI Key SYTBZMRGLBWNTM-UHFFFAOYSA-N
Molecular Formula C15H13FO2
Exact Mass 244.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001464
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:12.088321
MetadataModified 2024-01-11T22:49:12.254828
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB00712 DrugBank
12014074 PubChem: Drugs of the Future
CHEMBL563 ChEMBL
SAM002564209 NIH Clinical Collection
5130 ChEBI
SAM001246961 NIH Clinical Collection
ANSAID rxnorm
FLURBIPROFEN DailyMed
OCUFEN rxnorm
FLURBIPROFEN rxnorm
U-27,182 clinicaltrials
U-27182 clinicaltrials
FLURBIPROFEN clinicaltrials
FLURBIPROFEN SODIUM clinicaltrials
BTS 18,322 clinicaltrials
BTS-18322 clinicaltrials
HY-10582 MedChemExpress
OCUFEN clinicaltrials
ANSAID clinicaltrials
5GRO578KLP FDA SRS
3816 Brenda
DTXSID0037231 EPA CompTox Dashboard
1219 DrugCentral
4194 Guide to Pharmacology
J33.114G Nikkaji
J73.105F Nikkaji
FLUBIP CCDC
50074922 BindingDB
FLURBIPROFEN SODIUM rxnorm
LSM-5174 LINCS
14823266 PubChem: Thomson Pharma
PA449683 PharmGKB
5104-49-4 ACToR
51543-38-5 ACToR
SCHEMBL2248 SureChEMBL
PD002326 ProbesDrugs
HMDB0014850 Human Metabolome Database
flurbiprofen DailyMed
CB7465967 ChemicalBook
3394 PubChem
20207883 NMRShiftDB
MCULE-4306860727 Mcule
538498 eMolecules
The data in this table is sourced from UniChem at EBI.