Dataset

ADONA; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M]-

This MassBank record with Accession MSBNK-Athens_Univ-AU593282 contains the MS2 mass spectrum of ADONA with the InChIkey AFDRCEOKCOUICI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H2F12O4/c8-1(3(9,10)2(20)21)22-5(13,14)4(11,12)6(15,16)23-7(17,18)19/h1H,(H,20,21)
SMILES C(C(C(=O)O)(F)F)(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F
InChI Key AFDRCEOKCOUICI-UHFFFAOYSA-N
Molecular Formula C7H2F12O4
Exact Mass 377.976 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU593282
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MetadataPublished 2020-04-11
Related Molecule
  • 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1681505 surechembl
    52915299 pubchem
    2J86RN9BGD fdasrs
    PD166863 probes_and_drugs
    The data in this table is sourced from UniChem at EBI.