Dataset

6-O-Desmethyl-mycophenolic acid; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01154701 contains the MS2 mass spectrum of 6-O-Desmethyl-mycophenolic acid with the InChIkey MHSRNZSBNXFMLF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H18O6/c1-8(4-6-12(17)18)3-5-10-14(19)9(2)11-7-22-16(21)13(11)15(10)20/h3,19-20H,4-7H2,1-2H3,(H,17,18)
SMILES CC1=C2COC(=O)C2=C(C(=C1O)CC=C(C)CCC(=O)O)O
InChI Key MHSRNZSBNXFMLF-UHFFFAOYSA-N
Molecular Formula C16H18O6
Exact Mass 306.110 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-EQ01154701
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MetadataPublished 2024-05-08
Related Molecule
  • 6-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    57369640 pubchem
    PD119500 probes_and_drugs
    HMDB0060788 hmdb
    The data in this table is sourced from UniChem at EBI.