Dataset

Gibberellic Acid; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00505 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 CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O
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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00505
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
    MCULE-9169992682 Mcule
    20000382 NMRShiftDB
    522636 PubChem
    PD056355 ProbesDrugs
    29549361 eMolecules
    SCHEMBL13336023 SureChEMBL
    77-06-5 ACToR
    HMDB0252716 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.