Dataset

PFPrA; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01144451 contains the MS2 mass spectrum of PFPrA with the InChIkey LRMSQVBRUNSOJL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
SMILES C(=O)(C(C(F)(F)F)(F)F)O
InChI Key LRMSQVBRUNSOJL-UHFFFAOYSA-N
Molecular Formula C3HF5O2
Exact Mass 163.990 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-EQ01144451
Version
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Maintainer
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MetadataPublished 2024-05-15
Related Molecule
  • 2,2,3,3,3-pentafluoropropanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    62356 PubChem
    SCHEMBL63977 SureChEMBL
    20162058 NMRShiftDB
    MCULE-5613296541 Mcule
    YWK PDBe
    491418 eMolecules
    14748073 PubChem: Thomson Pharma
    422-64-0 ACToR
    J35.371J Nikkaji
    DTXSID8059970 EPA CompTox Dashboard
    ZINC000004262401 ZINC
    HMDB0256333 Human Metabolome Database
    CB6139447 ChemicalBook
    The data in this table is sourced from UniChem at EBI.