Dataset

Perfluoropropanesulfonic Acid; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ500355 contains the MS2 mass spectrum of Perfluoropropanesulfonic Acid with the InChIkey XBWQFDNGNOOMDZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C3HF7O3S/c4-1(5,2(6,7)8)3(9,10)14(11,12)13/h(H,11,12,13)
SMILES C(C(F)(F)F)(C(F)(F)S(=O)(=O)O)(F)F
InChI Key XBWQFDNGNOOMDZ-UHFFFAOYSA-N
Molecular Formula C3HF7O3S
Exact Mass 249.953 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-EQ500355
Version
Author
Maintainer
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MetadataPublished 2021-03-16
Related Molecule
  • 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    39694 surechembl
    9859771 pubchem
    PD212607 probes_and_drugs
    Molport-044-724-800 molport
    The data in this table is sourced from UniChem at EBI.