Dataset

Perfluorodecanoic acid; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU240360 contains the MS2 mass spectrum of Perfluorodecanoic acid with the InChIkey PCIUEQPBYFRTEM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)
SMILES OC(=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 PCIUEQPBYFRTEM-UHFFFAOYSA-N
Molecular Formula C10HF19O2
Exact Mass 513.967 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-AU240360
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Author
Maintainer
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MetadataPublished 2019-03-29
Related Molecule
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:35546 chebi
    A1BLY rcsb_pdb
    CHEMBL1885037 chembl
    24715 surechembl
    9555 pubchem
    W5XW2B8Q9E fdasrs
    PD167669 probes_and_drugs
    94682 brenda
    A1BLY pdbe
    The data in this table is sourced from UniChem at EBI.