Dataset

Perfluorotetradecanoic acid (PFTeDA); LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU595450 contains the MS2 mass spectrum of Perfluorotetradecanoic acid (PFTeDA) with the InChIkey RUDINRUXCKIXAJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43)
SMILES C(=O)(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI Key RUDINRUXCKIXAJ-UHFFFAOYSA-N
Molecular Formula C14HF27O2
Exact Mass 713.955 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-AU595450
Version
Author
Maintainer
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MetadataPublished 2020-04-11
Related Molecule
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID3059921 EPA CompTox Dashboard
    J213.588D Nikkaji
    HMDB0256334 Human Metabolome Database
    ZINC000095719227 ZINC
    CB1124217 ChemicalBook
    67822 PubChem
    15484387 PubChem: Thomson Pharma
    376-06-7 ACToR
    508971 eMolecules
    SCHEMBL517311 SureChEMBL
    The data in this table is sourced from UniChem at EBI.