Dataset

Diprogulic acid; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL23111017044 contains the MS2 mass spectrum of Diprogulic acid with the InChIkey FWCBATIDXGJRMF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14)
SMILES CC1(C)OCC2C(C3C(OC(C)(C)O3)(C(O)=O)O2)O1
InChI Key FWCBATIDXGJRMF-UHFFFAOYSA-N
Molecular Formula C12H18O7
Exact Mass 274.105 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111017044
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5933443 surechembl
    72085 pubchem
    PD014504 probes_and_drugs
    The data in this table is sourced from UniChem at EBI.