Dataset

5-3-FTCA

This MassBank record with Accession MSBNK-Eawag-EQ01147752 contains the MS2 mass spectrum of 5-3-FTCA with the InChIkey ABFCFCPCGMHSRX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H5F11O2/c9-4(10,2-1-3(20)21)5(11,12)6(13,14)7(15,16)8(17,18)19/h1-2H2,(H,20,21)
SMILES C(CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI Key ABFCFCPCGMHSRX-UHFFFAOYSA-N
Molecular Formula C8H5F11O2
Exact Mass 342.011 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01147752
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:01:34.218572
MetadataModified 2025-02-09T10:01:34.392772
MetadataPublished 2024-05-15
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000100037251 ZINC
J2.811.863E Nikkaji
177062 ChEBI
DTXSID20874028 EPA CompTox Dashboard
13312999 eMolecules
14632790 PubChem
SCHEMBL1828702 SureChEMBL
The data in this table is sourced from UniChem at EBI.