Dataset

Perfluorodecanoic acid; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EA272053 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 O=C(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-Eawag-EA272053
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MetadataPublished 2014-01-14
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
    9555 PubChem
    SCHEMBL24715 SureChEMBL
    94682 Brenda
    ZINC000006845007 ZINC
    335-76-2 ACToR
    15505470 PubChem: Thomson Pharma
    485721 eMolecules
    35546 ChEBI
    CHEMBL1885037 ChEMBL
    DTXSID3031860 EPA CompTox Dashboard
    J193.776F Nikkaji
    CB5341889 ChemicalBook
    The data in this table is sourced from UniChem at EBI.