Dataset

GERANYL ISOBUTYRATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006981 contains the MS mass spectrum of GERANYL ISOBUTYRATE with the InChIkey OGJYXQFXLSCKTP-UKTHLTGXSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+
SMILES CC(C)=CCCC(C)=CCOC(=O)C(C)C
InChI Key OGJYXQFXLSCKTP-UKTHLTGXSA-N
Molecular Formula C14H24O2
Exact Mass 224.178 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-JP006981
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:20.841366
MetadataModified 2025-02-09T12:53:18.769297
MetadataPublished 2016-01-19
Related Molecule
  • [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB2380782 ChemicalBook
    17495761 PubChem: Thomson Pharma
    DTXSID8051889 EPA CompTox Dashboard
    J183.047C Nikkaji
    145741 ChEBI
    SCHEMBL397326 SureChEMBL
    J35.370A Nikkaji
    ZINC000001850861 ZINC
    6086514 PubChem
    2345-24-6 ACToR
    P6D2F72907 FDA SRS
    60029908 NMRShiftDB
    2345-26-8 ACToR
    The data in this table is sourced from UniChem at EBI.