Dataset

Mycophenolic acid; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA280803 contains the MS2 mass spectrum of Mycophenolic acid with the InChIkey HPNSFSBZBAHARI-RUDMXATFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
SMILES c12c(c(c(C\C=C(\CCC(O)=O)C)c(c1C)OC)O)C(=O)OC2
InChI Key HPNSFSBZBAHARI-RUDMXATFSA-N
Molecular Formula C17H20O6
Exact Mass 320.126 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-Eawag-EA280803
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MetadataPublished 2014-01-14
Related Molecule
  • (E)-6-(4-hydroxy-6-methoxy-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
    No additional information available for this Dataset.