Dataset

TRANS-2-HEXENYL HEPTANOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010891 contains the MS mass spectrum of TRANS-2-HEXENYL HEPTANOATE with the InChIkey QZZLOJKCWGHIFS-CSKARUKUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H24O2/c1-3-5-7-9-11-13(14)15-12-10-8-6-4-2/h8,10H,3-7,9,11-12H2,1-2H3/b10-8+
SMILES CCCCCCC(=O)OCC=CCCC
InChI Key QZZLOJKCWGHIFS-CSKARUKUSA-N
Molecular Formula C13H24O2
Exact Mass 212.178 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-JP010891
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MetadataPublished 2016-01-19
Related Molecule
  • [(E)-hex-2-enyl] heptanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91749802 PubChem
    J504.905I Nikkaji
    The data in this table is sourced from UniChem at EBI.