Dataset

(1R,2R)-3-Oxo-2-(2Z)-2-pentenylcyclopentanacetic Acid, (+-)-Jasmonic acid, JA, Jasmonate; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS057408 contains the MS2 mass spectrum of (1R,2R)-3-Oxo-2-(2Z)-2-pentenylcyclopentanacetic Acid, (+-)-Jasmonic acid, JA, Jasmonate with the InChIkey ZNJFBWYDHIGLCU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)
SMILES CCC=CCC1C(CCC1=O)CC(=O)O
InChI Key ZNJFBWYDHIGLCU-UHFFFAOYSA-N
Molecular Formula C12H18O3
Exact Mass 210.273 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS057408
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MetadataPublished 2009-02-09
Related Molecule
  • 2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    182634 ChEBI
    PD050046 ProbesDrugs
    CB2200895 ChemicalBook
    557758 PubChem
    The data in this table is sourced from UniChem at EBI.