Dataset

METHYL 3-OXO-5-(1-CYCLOPENTENYL)PENTANOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001150 contains the MS mass spectrum of METHYL 3-OXO-5-(1-CYCLOPENTENYL)PENTANOATE with the InChIkey XIEUINFEKFZBLX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H16O3/c1-14-11(13)8-10(12)7-6-9-4-2-3-5-9/h4H,2-3,5-8H2,1H3
SMILES COC(=O)CC(=O)CCC(C1)=CCC1
InChI Key XIEUINFEKFZBLX-UHFFFAOYSA-N
Molecular Formula C11H16O3
Exact Mass 196.110 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-Fac_Eng_Univ_Tokyo-JP001150
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl 5-(cyclopenten-1-yl)-3-oxopentanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101618093 pubchem
    DTXSID101346197 comptox
    The data in this table is sourced from UniChem at EBI.