Dataset

Gibberellin A20; LC-ESI-QQ; MS2; CE:30.0 eV; [M-H]-

This MassBank record with Accession MSBNK-RIKEN-PR020157 contains the MS2 mass spectrum of Gibberellin A20 with the InChIkey OXFPYCSNYOFUCH-KQBHUUJHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H24O5/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/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1
SMILES OC(=O)C(C321)C([H])(C(C)54)C(CCC5)(OC(=O)4)C([H])(CCC(O)(C(=C)C3)C2)1
InChI Key OXFPYCSNYOFUCH-KQBHUUJHSA-N
Molecular Formula C19H24O5
Exact Mass 332.162 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-PR020157
Version
Author
Maintainer
Language
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]heptadecane-9-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:27742 chebi
    LMPR0104170004 lipidmaps
    29394307 surechembl
    5280481 pubchem
    10656 brenda
    6748 brenda
    The data in this table is sourced from UniChem at EBI.