Dataset

Perfluoroheptane sulfonic acid (PFHpS); LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU595851 contains the MS2 mass spectrum of Perfluoroheptane sulfonic acid (PFHpS) with the InChIkey OYGQVDSRYXATEL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7HF15O3S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25/h(H,23,24,25)
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F
InChI Key OYGQVDSRYXATEL-UHFFFAOYSA-N
Molecular Formula C7HF15O3S
Exact Mass 449.941 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU595851
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MetadataPublished 2020-04-11
Related Molecule
  • 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    466749 surechembl
    67820 pubchem
    PD206049 probes_and_drugs
    HMDB0256321 hmdb
    The data in this table is sourced from UniChem at EBI.