Dataset

Gibberellin A29; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]-

This MassBank record with Accession MSBNK-RIKEN-PR020161 contains the MS2 mass spectrum of Gibberellin A29 with the InChIkey BKBYHSYZKIAJDA-WWSAFQOPSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,16-,17+,18+,19-/m1/s1
SMILES OC(C4)CC(O5)(C([H])31)C([H])(C(C)4C(=O)5)C(C(O)=O)C(C2)(CC(O)(CC3)C(=C)2)1
InChI Key BKBYHSYZKIAJDA-WWSAFQOPSA-N
Molecular Formula C19H24O6
Exact Mass 348.157 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-PR020161
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1R,2R,5S,8S,9S,10R,11R,13R)-5,13-dihydroxy-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:28040 chebi
    LMPR0104170036 lipidmaps
    29688844 surechembl
    14605548 pubchem
    The data in this table is sourced from UniChem at EBI.