Dataset

Gibberellin A9; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]-

This MassBank record with Accession MSBNK-RIKEN-PR020150 contains the MS2 mass spectrum of Gibberellin A9 with the InChIkey MHVYWTXXZIFXDT-YGNOGLJPSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1
SMILES C=C([C@H]45)C[C@@](C5)([C@@H](C(O)=O)1)[C@@]([H])(CC4)[C@@](C3)(O2)[C@]([H])([C@@](C)(CC3)C(=O)2)1
InChI Key MHVYWTXXZIFXDT-YGNOGLJPSA-N
Molecular Formula C19H24O4
Exact Mass 316.167 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-RIKEN-PR020150
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:29605 chebi
    LMPR0104170020 lipidmaps
    J5X rcsb_pdb
    3370009 surechembl
    5281984 pubchem
    SWC5WIK98K fdasrs
    UHITEK CCDC
    20737 brenda
    21750 brenda
    5315 brenda
    96542 brenda
    J5X pdbe
    The data in this table is sourced from UniChem at EBI.