Dataset

N-EtFOSA; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ00273154 contains the MS2 mass spectrum of N-EtFOSA with the InChIkey CCEKAJIANROZEO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3
SMILES CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key CCEKAJIANROZEO-UHFFFAOYSA-N
Molecular Formula C10H6F17NO2S
Exact Mass 526.985 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-EQ00273154
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MetadataPublished 2024-05-15
Related Molecule
  • N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81945 chebi
    CHEMBL177726 chembl
    26873 surechembl
    77797 pubchem
    IPX089YR0A fdasrs
    PD118903 probes_and_drugs
    XIDNEE CCDC
    HMDB0258587 hmdb
    The data in this table is sourced from UniChem at EBI.