Dataset

DIETHYL (E,E)-2,7-NONADIENOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010353 contains the MS mass spectrum of DIETHYL (E,E)-2,7-NONADIENOATE with the InChIkey DGDKCADOPSQFGL-GFULKKFKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H20O4/c1-3-16-12(14)10-8-6-5-7-9-11-13(15)17-4-2/h8-11H,3-7H2,1-2H3/b10-8+,11-9+
SMILES CCOC(=O)C=CCCCC=CC(=O)OCC
InChI Key DGDKCADOPSQFGL-GFULKKFKSA-N
Molecular Formula C13H20O4
Exact Mass 240.136 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-JP010353
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • diethyl (2E,7E)-nona-2,7-dienedioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J414.347G Nikkaji
    J2.305.708E Nikkaji
    SCHEMBL22100454 SureChEMBL
    10999125 PubChem
    16058929 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.