Dataset

Dihydrojasmone; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00049 contains the MS2 mass spectrum of Dihydrojasmone with the InChIkey YCIXWYOBMVNGTB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3
SMILES CCCCCC(=C(C)1)C(=O)CC1
InChI Key YCIXWYOBMVNGTB-UHFFFAOYSA-N
Molecular Formula C11H18O
Exact Mass 166.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00049
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3-methyl-2-pentylcyclopent-2-en-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J12.280G Nikkaji
    HY-N7098 MedChemExpress
    SCHEMBL114204 SureChEMBL
    MCULE-6930955162 Mcule
    10009223 NMRShiftDB
    62378 PubChem
    474282 eMolecules
    14843129 PubChem: Thomson Pharma
    1128-08-1 ACToR
    PD088153 ProbesDrugs
    Y953R7PP90 FDA SRS
    CB4487865 ChemicalBook
    ZINC000004521084 ZINC
    HMDB0031565 Human Metabolome Database
    DTXSID4051584 EPA CompTox Dashboard
    143730 ChEBI
    CHEMBL3728427 ChEMBL
    The data in this table is sourced from UniChem at EBI.