Dataset

PFEESA; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-

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

Chemical Information

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
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MetadataPublished 2024-05-15
Related Molecule
  • 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    890672 surechembl
    2776108 pubchem
    PD205929 probes_and_drugs
    Molport-000-158-052 molport
    The data in this table is sourced from UniChem at EBI.