Dataset

LIMONENE DIOXIDE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008371 contains the MS mass spectrum of LIMONENE DIOXIDE with the InChIkey RBHIUNHSNSQJNG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3
SMILES CC(C3)(O3)C(C2)CC(O1)C(C)(C2)1
InChI Key RBHIUNHSNSQJNG-UHFFFAOYSA-N
Molecular Formula C10H16O2
Exact Mass 168.115 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-JP008371
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1880461 ChEMBL
    LIMONENE DIEPOXIDE rxnorm
    MCULE-8018911665 Mcule
    M6TUW5WEJ9 FDA SRS
    HMDB0303819 Human Metabolome Database
    J20.670I Nikkaji
    60058437 NMRShiftDB
    SCHEMBL215026 SureChEMBL
    96-08-2 ACToR
    15147134 PubChem: Thomson Pharma
    232703 PubChem
    6221227 eMolecules
    CB2447773 ChemicalBook
    The data in this table is sourced from UniChem at EBI.