Dataset

Fluoromethacin

This MassBank record with Accession MSBNK-Waters-WA001374 contains the MS mass spectrum of Fluoromethacin with the InChIkey NSNZBVZOKLXXFU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H16FNO4/c1-11-18(19(24)12-3-5-13(20)6-4-12)15-8-7-14(25-2)9-16(15)21(11)10-17(22)23/h3-9H,10H2,1-2H3,(H,22,23)
SMILES COc(c3)cc(n(CC(O)=O)1)c(c3)c(C(=O)c(c2)ccc(F)c2)c(C)1
InChI Key NSNZBVZOKLXXFU-UHFFFAOYSA-N
Molecular Formula C19H16FNO4
Exact Mass 341.106 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-WA001374
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:36.671211
MetadataModified 2024-01-11T22:49:36.847625
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID50180462 EPA CompTox Dashboard
J36.993D Nikkaji
33177 PubChem
25803-21-8 ACToR
The data in this table is sourced from UniChem at EBI.