Dataset

6-2-PAP; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00292404 contains the MS2 mass spectrum of 6-2-PAP with the InChIkey FZTRDYSPWWJCOF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H6F13O4P/c9-3(10,1-2-25-26(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H2,22,23,24)
SMILES C(COP(=O)(O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key FZTRDYSPWWJCOF-UHFFFAOYSA-N
Molecular Formula C8H6F13O4P
Exact Mass 443.980 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-EQ00292404
Version
Author
Maintainer
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MetadataPublished 2024-05-15
Related Molecule
  • 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl dihydrogen phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    36758963 eMolecules
    SCHEMBL2304765 SureChEMBL
    83508 ChEBI
    J1.417.593H Nikkaji
    DTXSID90558000 EPA CompTox Dashboard
    ZINC000072400092 ZINC
    14250578 PubChem
    The data in this table is sourced from UniChem at EBI.