Dataset

Gibberellin A5; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]-

This MassBank record with Accession MSBNK-RIKEN-PR020144 contains the MS2 mass spectrum of Gibberellin A5 with the InChIkey ZOWHLBOPCIHIHW-KQBHUUJHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1
SMILES OC(=O)C(C321)C([H])(C(C)54)C(CC=C5)(OC(=O)4)C([H])(CCC(O)(C(=C)C3)C2)1
InChI Key ZOWHLBOPCIHIHW-KQBHUUJHSA-N
Molecular Formula C19H22O5
Exact Mass 330.147 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-PR020144
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:29598 chebi
    LMPR0104170028 lipidmaps
    2304063 surechembl
    5281988 pubchem
    PD200069 probes_and_drugs
    XUQNEF CCDC
    16734 brenda
    45545 brenda
    DTXSID40332094 comptox
    Molport-046-691-969 molport
    The data in this table is sourced from UniChem at EBI.