Dataset

Abscisic acid; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80671 contains the MS mass spectrum of Abscisic acid with the InChIkey JLIDBLDQVAYHNE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)
SMILES CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C
InChI Key JLIDBLDQVAYHNE-UHFFFAOYSA-N
Molecular Formula C15H20O4
Exact Mass 264.136 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-BML80671
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-3739371957 Mcule
    93815 ChEBI
    HMDB0243505 Human Metabolome Database
    287291 PubChem
    PD056526 ProbesDrugs
    SCHEMBL2591175 SureChEMBL
    The data in this table is sourced from UniChem at EBI.