Dataset

Floctafenine

This MassBank record with Accession MSBNK-Waters-WA001469 contains the MS mass spectrum of Floctafenine with the InChIkey APQPGQGAWABJLN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H17F3N2O4/c21-20(22,23)15-6-3-5-13-17(8-9-24-18(13)15)25-16-7-2-1-4-14(16)19(28)29-11-12(27)10-26/h1-9,12,26-27H,10-11H2,(H,24,25)
SMILES OCC(O)COC(=O)c(c3)c(ccc3)Nc(c2)c(c1)c(nc2)c(cc1)C(F)(F)F
InChI Key APQPGQGAWABJLN-UHFFFAOYSA-N
Molecular Formula C20H17F3N2O4
Exact Mass 406.114 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-WA001469
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:33:27.335722
MetadataModified 2025-02-09T20:25:09.435239
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0252310 Human Metabolome Database
J20.331I Nikkaji
O04HVX6A9Q FDA SRS
FLOCTAFENINE rxnorm
CB4941644 ChemicalBook
DB08976 DrugBank
31612 ChEBI
1178 DrugCentral
DTXSID8057695 EPA CompTox Dashboard
22395233 PubChem: Drugs of the Future
3360 PubChem
14956575 PubChem: Thomson Pharma
CHEMBL2105075 ChEMBL
23779-99-9 ACToR
PD009426 ProbesDrugs
SCHEMBL26841 SureChEMBL
The data in this table is sourced from UniChem at EBI.