Dataset

Gibberellic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

This MassBank record with Accession MSBNK-Keio_Univ-KO000930 contains the MS2 mass spectrum of Gibberellic acid with the InChIkey IXORZMNAPKEEDV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)
SMILES OC(=O)[C@@H]([C@H]21)C(C5)(C4)[C@@H](CC[C@](O)(C(=C)5)4)[C@](C=3)(OC(=O)[C@@](C)([C@@H](O)C3)2)1
InChI Key IXORZMNAPKEEDV-UHFFFAOYSA-N
Molecular Formula C19H22O6
Exact Mass 346.142 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO000930
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13336023 surechembl
    522636 pubchem
    PD056355 probes_and_drugs
    HMDB0252716 hmdb
    Molport-002-984-651 molport
    The data in this table is sourced from UniChem at EBI.