Dataset

Perfluorononane sulfonic acid (PFNS); LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU596054 contains the MS2 mass spectrum of Perfluorononane sulfonic acid (PFNS) with the InChIkey MNEXVZFQQPKDHC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9HF19O3S/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)32(29,30)31/h(H,29,30,31)
SMILES OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key MNEXVZFQQPKDHC-UHFFFAOYSA-N
Molecular Formula C9HF19O3S
Exact Mass 549.934 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-AU596054
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MetadataPublished 2020-04-11
Related Molecule
  • 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane-1-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID8071356 EPA CompTox Dashboard
    J429.784I Nikkaji
    SCHEMBL561335 SureChEMBL
    86998 PubChem
    68259-12-1 ACToR
    The data in this table is sourced from UniChem at EBI.