Dataset

Mycophenolic acid; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00241 contains the MS2 mass spectrum of Mycophenolic acid with the InChIkey HPNSFSBZBAHARI-UHFFFAOYSA-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)
SMILES CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC
InChI Key HPNSFSBZBAHARI-UHFFFAOYSA-N
Molecular Formula C17H20O6
Exact Mass 320.126 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-Washington_State_Univ-BML00241
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MetadataPublished 2016-01-19
Related Molecule
  • 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
    PD055576 ProbesDrugs
    LSM-2681 LINCS
    SCHEMBL2514376 SureChEMBL
    MCULE-1286782468 Mcule
    4272 PubChem
    HMDB0246691 Human Metabolome Database
    92545 ChEBI
    The data in this table is sourced from UniChem at EBI.