Dataset

7-3-FTCA

This MassBank record with Accession MSBNK-Eawag-EQ01147456 contains the MS2 mass spectrum of 7-3-FTCA with the InChIkey HLBRGVKRZQSQHB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H5F15O2/c11-4(12,2-1-3(26)27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H2,(H,26,27)
SMILES C(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI Key HLBRGVKRZQSQHB-UHFFFAOYSA-N
Molecular Formula C10H5F15O2
Exact Mass 442.005 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-EQ01147456
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:06:19.716334
MetadataModified 2025-02-09T10:06:19.900808
MetadataPublished 2024-05-15
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
917465 eMolecules
2783376 PubChem
DTXSID90382620 EPA CompTox Dashboard
J2.499.009E Nikkaji
177067 ChEBI
ZINC000095671129 ZINC
SCHEMBL1827086 SureChEMBL
The data in this table is sourced from UniChem at EBI.