Dataset

Gibberellin A24; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]-

This MassBank record with Accession MSBNK-RIKEN-PR020158 contains the MS2 mass spectrum of Gibberellin A24 with the InChIkey QQRSSHFHXYSOMF-CXXOJBQZSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1
SMILES OC(=O)[C@](C)(C4)[C@@]([H])([C@H](C(O)=O)1)[C@@](C=O)(CC4)[C@]([H])(C3)[C@](C2)(C[C@@H](C3)C(=C)2)1
InChI Key QQRSSHFHXYSOMF-CXXOJBQZSA-N
Molecular Formula C20H26O5
Exact Mass 346.178 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-PR020158
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1R,2S,3S,4R,8R,9R,12R)-8-formyl-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:32906 chebi
    LMPR0104170018 lipidmaps
    20604588 surechembl
    443454 pubchem
    189634 brenda
    The data in this table is sourced from UniChem at EBI.