Dataset

Diprogulic Acid; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01123058 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(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)O)C
InChI Key FWCBATIDXGJRMF-UHFFFAOYSA-N
Molecular Formula C12H18O7
Exact Mass 274.105 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-EQ01123058
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MetadataPublished 2023-04-27
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
    J152.146B Nikkaji
    MCULE-9072720762 Mcule
    72085 PubChem
    18467-77-1 ACToR
    129607-69-8 ACToR
    PD014504 ProbesDrugs
    SCHEMBL5933443 SureChEMBL
    The data in this table is sourced from UniChem at EBI.