Dataset

Flurbiprofen

This MassBank record with Accession MSBNK-Waters-WA001465 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-WA001465
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:28.583281
MetadataModified 2024-01-11T22:49:28.746762
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
538498 eMolecules
51543-38-5 ACToR
PD002326 ProbesDrugs
14823266 PubChem: Thomson Pharma
SCHEMBL2248 SureChEMBL
PA449683 PharmGKB
3394 PubChem
5104-49-4 ACToR
LSM-5174 LINCS
J33.114G Nikkaji
J73.105F Nikkaji
4194 Guide to Pharmacology
MCULE-4306860727 Mcule
FLUBIP CCDC
20207883 NMRShiftDB
HMDB0014850 Human Metabolome Database
CB7465967 ChemicalBook
flurbiprofen DailyMed
OCUFEN clinicaltrials
5GRO578KLP FDA SRS
3816 Brenda
1219 DrugCentral
ANSAID rxnorm
FLURBIPROFEN rxnorm
FLURBIPROFEN SODIUM rxnorm
OCUFEN rxnorm
FLURBIPROFEN DailyMed
FLURBIPROFEN SODIUM clinicaltrials
BTS 18,322 clinicaltrials
DTXSID0037231 EPA CompTox Dashboard
BTS-18322 clinicaltrials
ANSAID clinicaltrials
U-27,182 clinicaltrials
U-27182 clinicaltrials
HY-10582 MedChemExpress
50074922 BindingDB
FLURBIPROFEN clinicaltrials
The data in this table is sourced from UniChem at EBI.