Dataset

Floctafenic acid

This MassBank record with Accession MSBNK-Waters-WA001491 contains the MS mass spectrum of Floctafenic acid with the InChIkey RGUIKQRAZCQMBM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H11F3N2O2/c18-17(19,20)12-6-3-5-10-14(8-9-21-15(10)12)22-13-7-2-1-4-11(13)16(23)24/h1-9H,(H,21,22)(H,23,24)
SMILES OC(=O)c(c3)c(ccc3)Nc(c2)c(c1)c(nc2)c(cc1)C(F)(F)F
InChI Key RGUIKQRAZCQMBM-UHFFFAOYSA-N
Molecular Formula C17H11F3N2O2
Exact Mass 332.077 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-WA001491
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:56.457870
MetadataModified 2024-01-11T22:49:56.606664
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
37541 PubChem
DTXSID60190254 EPA CompTox Dashboard
ZINC000000006967 ZINC
35867497 eMolecules
14924382 PubChem: Thomson Pharma
36783-34-3 ACToR
J900.918C Nikkaji
HMDB0252309 Human Metabolome Database
SCHEMBL3501677 SureChEMBL
K9D19L5WTV FDA SRS
The data in this table is sourced from UniChem at EBI.