Dataset

73FTA; LC-ESI-QQ; MS2; CE30; [M-H]-

This MassBank record with Accession MSBNK-PFOS_research_group-FFF00389 contains the MS2 mass spectrum of 73FTA with the InChIkey HLBRGVKRZQSQHB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H5F15O2/c11-4(12,2-1-3(26)27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H2,(H,26,27)
SMILES OC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key HLBRGVKRZQSQHB-UHFFFAOYSA-N
Molecular Formula C10H5F15O2
Exact Mass 442.005 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-PFOS_research_group-FFF00389
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MetadataPublished 2016-01-19
Related Molecule
  • 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:177067 chebi
    1827086 surechembl
    2783376 pubchem
    PD198540 probes_and_drugs
    Molport-001-771-601 molport
    The data in this table is sourced from UniChem at EBI.