Dataset

PFEtS; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01143557 contains the MS2 mass spectrum of PFEtS with the InChIkey GKNWQHIXXANPTN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C2HF5O3S/c3-1(4,5)2(6,7)11(8,9)10/h(H,8,9,10)
SMILES C(C(F)(F)S(=O)(=O)O)(F)(F)F
InChI Key GKNWQHIXXANPTN-UHFFFAOYSA-N
Molecular Formula C2HF5O3S
Exact Mass 199.957 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-EQ01143557
Version
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Maintainer
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MetadataPublished 2024-05-15
Related Molecule
  • 1,1,2,2,2-pentafluoroethanesulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB1971495 ChemicalBook
    ZINC000038392247 ZINC
    J1.223.766I Nikkaji
    DTXSID30870511 EPA CompTox Dashboard
    10219841 PubChem
    15220009 PubChem: Thomson Pharma
    SCHEMBL105340 SureChEMBL
    The data in this table is sourced from UniChem at EBI.