Dataset

GERANYL METHYL-ETHYL-ACETATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008366 contains the MS mass spectrum of GERANYL METHYL-ETHYL-ACETATE with the InChIkey PEQMAZJTEUEQJP-JLHYYAGUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
SMILES CCC(C)C(=O)OCC=C(C)CCC=C(C)C
InChI Key PEQMAZJTEUEQJP-JLHYYAGUSA-N
Molecular Formula C15H26O2
Exact Mass 238.193 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-JP008366
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylbutanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    6437648 PubChem
    DTXSID50887489 EPA CompTox Dashboard
    HMDB0032291 Human Metabolome Database
    SCHEMBL3504611 SureChEMBL
    LMFA07010894 LipidMaps
    J520.095D Nikkaji
    MRW7QH0M9I FDA SRS
    J261.162G Nikkaji
    60114630 NMRShiftDB
    51117-19-2 ACToR
    68705-63-5 ACToR
    The data in this table is sourced from UniChem at EBI.