Dataset

CITRONELLAL DIETHYL ACETAL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008661 contains the MS mass spectrum of CITRONELLAL DIETHYL ACETAL with the InChIkey HYNXWFKVWMABRM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H28O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,13-14H,6-8,10-11H2,1-5H3
SMILES CCOC(OCC)CC(C)CCC=C(C)C
InChI Key HYNXWFKVWMABRM-UHFFFAOYSA-N
Molecular Formula C14H28O2
Exact Mass 228.209 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-JP008661
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 8,8-diethoxy-2,6-dimethyloct-2-ene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15912671 PubChem: Thomson Pharma
    71662-17-4 ACToR
    3018210 PubChem
    J260.943F Nikkaji
    SCHEMBL1491220 SureChEMBL
    6AJ669CD5E FDA SRS
    The data in this table is sourced from UniChem at EBI.