Dataset

Mycophenolic acid; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+

This MassBank record with Accession MSBNK-AAFC-AC000681 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 CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CCC(=O)O)OC
InChI Key HPNSFSBZBAHARI-RUDMXATFSA-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-AAFC-AC000681
Version
Author
Maintainer
Language
MetadataPublished 2017-07-07
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
    DB01024 drugbank
    CHEBI:168396 chebi
    MOA rcsb_pdb
    CHEMBL866 chembl
    29380425 surechembl
    4549 surechembl
    446541 pubchem
    PD001641 probes_and_drugs
    MYCPHA CCDC
    216043 brenda
    570 brenda
    6557 brenda
    HU9DX48N0T fdasrs
    HMDB0015159 hmdb
    34431 bindingdb
    34445 bindingdb
    34462 bindingdb
    433005 bindingdb
    50015689 bindingdb
    50043764 bindingdb
    50089471 bindingdb
    50210183 bindingdb
    50215388 bindingdb
    50217296 bindingdb
    50218217 bindingdb
    50223510 bindingdb
    50223534 bindingdb
    50223563 bindingdb
    50244357 bindingdb
    50340798 bindingdb
    50340799 bindingdb
    50340803 bindingdb
    50340804 bindingdb
    50340805 bindingdb
    50340806 bindingdb
    50340807 bindingdb
    50340808 bindingdb
    50343855 bindingdb
    50343866 bindingdb
    50407031 bindingdb
    50407036 bindingdb
    50420874 bindingdb
    50420875 bindingdb
    50433778 bindingdb
    50433779 bindingdb
    50503462 bindingdb
    50588427 bindingdb
    50609549 bindingdb
    50609557 bindingdb
    50627105 bindingdb
    50627126 bindingdb
    50710886 bindingdb
    50788787 bindingdb
    50788789 bindingdb
    50805117 bindingdb
    50809607 bindingdb
    50809609 bindingdb
    50929377 bindingdb
    51141456 bindingdb
    51141475 bindingdb
    51141483 bindingdb
    51145292 bindingdb
    Molport-001-732-316 molport
    1860 drugcentral
    The data in this table is sourced from UniChem at EBI.