Dataset

6-2-8-2-diPAP; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01147801 contains the MS2 mass spectrum of 6-2-8-2-diPAP with the InChIkey KHLRYLUKBJEYFH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H9F30O4P/c19-5(20,7(23,24)9(27,28)11(31,32)12(33,34)14(37,38)16(41,42)18(46,47)48)1-3-51-53(49,50)52-4-2-6(21,22)8(25,26)10(29,30)13(35,36)15(39,40)17(43,44)45/h1-4H2,(H,49,50)
SMILES C(COP(=O)(O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)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 KHLRYLUKBJEYFH-UHFFFAOYSA-N
Molecular Formula C18H9F30O4P
Exact Mass 889.976 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-EQ01147801
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Author
Maintainer
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MetadataPublished 2024-05-15
Related Molecule
  • 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl hydrogen phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101536705 PubChem
    DTXSID20873415 EPA CompTox Dashboard
    J3.004.414B Nikkaji
    The data in this table is sourced from UniChem at EBI.