Dataset

PFOPA; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01148051 contains the MS2 mass spectrum of PFOPA with the InChIkey CPRNWMZKNOIIML-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H2F17O3P/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)
SMILES C(C(C(C(C(F)(F)P(=O)(O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI Key CPRNWMZKNOIIML-UHFFFAOYSA-N
Molecular Formula C8H2F17O3P
Exact Mass 499.947 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-EQ01148051
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MetadataPublished 2024-05-15
Related Molecule
  • 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylphosphonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13528037 PubChem
    SCHEMBL2783614 SureChEMBL
    DTXSID80879832 EPA CompTox Dashboard
    J2.795.517G Nikkaji
    The data in this table is sourced from UniChem at EBI.