Dataset

PFEESA

This MassBank record with Accession MSBNK-Eawag-EQ01145352 contains the MS2 mass spectrum of PFEESA with the InChIkey RJGUAQKOHAABLK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C4HF9O4S/c5-1(6,7)2(8,9)17-3(10,11)4(12,13)18(14,15)16/h(H,14,15,16)
SMILES C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F
InChI Key RJGUAQKOHAABLK-UHFFFAOYSA-N
Molecular Formula C4HF9O4S
Exact Mass 315.945 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-EQ01145352
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:27:07.840897
MetadataModified 2025-02-09T09:27:08.037322
MetadataPublished 2024-05-15
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J2.020.009J Nikkaji
CB8161378 ChemicalBook
DTXSID50379814 EPA CompTox Dashboard
ZINC000095671202 ZINC
2776108 PubChem
891408 eMolecules
53779997 PubChem: Thomson Pharma
113507-82-7 ACToR
SCHEMBL890672 SureChEMBL
The data in this table is sourced from UniChem at EBI.