Dataset

Floctafenine; LC-ESI-Q; MS; POS; 75 V

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

Chemical Information

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

FloctafenineHTML

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Related Molecule ⌄

2,3-dihydroxypropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate

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
MetadataPublished	2016-01-19
Related Molecule	2,3-dihydroxypropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB08976	drugbank
CHEBI:31612	chebi
CHEMBL2105075	chembl
26841	surechembl
29359218	surechembl
3360	pubchem
O04HVX6A9Q	fdasrs
PD009426	probes_and_drugs
HMDB0252310	hmdb
DTXSID8057695	comptox
Molport-006-124-186	molport
1178	drugcentral
The data in this table is sourced from UniChem at EBI.