Dataset

Gibberellin A8; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]-

This MassBank record with Accession MSBNK-RIKEN-PR020148 contains the MS2 mass spectrum of Gibberellin A8 with the InChIkey WZRRJZYYGOOHRC-UQJCXHNCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H24O7/c1-8-5-17-7-18(8,25)4-3-10(17)19-6-9(20)13(21)16(2,15(24)26-19)12(19)11(17)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11+,12+,13-,16-,17-,18-,19+/m0/s1
SMILES OC(=O)C(C321)C([H])(C(C)54)C(CC(O)C(O)5)(OC(=O)4)C([H])(CCC(O)(C(=C)C3)C2)1
InChI Key WZRRJZYYGOOHRC-UQJCXHNCSA-N
Molecular Formula C19H24O7
Exact Mass 364.152 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-PR020148
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1R,2R,5S,8S,9S,10R,11S,12R,13S)-5,12,13-trihydroxy-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:28861 chebi
    LMPR0104170005 lipidmaps
    8495837 surechembl
    5280607 pubchem
    50025 brenda
    Molport-046-691-972 molport
    The data in this table is sourced from UniChem at EBI.