Dataset

Gibberellic Acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81286 contains the MS mass spectrum of Gibberellic Acid with the InChIkey IXORZMNAPKEEDV-UHFFFAOYSA-N.

Chemical Info

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-BML81286
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:21.444775
MetadataModified 2024-01-11T22:26:21.617346
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-9169992682 Mcule
522636 PubChem
PD056355 ProbesDrugs
29549361 eMolecules
SCHEMBL13336023 SureChEMBL
77-06-5 ACToR
20000382 NMRShiftDB
HMDB0252716 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.