Dataset

LIMONENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000247 contains the MS mass spectrum of LIMONENE with the InChIkey XMGQYMWWDOXHJM-JTQLQIEISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
SMILES CC1=CC[C@@H](CC1)C(=C)C
InChI Key XMGQYMWWDOXHJM-JTQLQIEISA-N
Molecular Formula C10H16
Exact Mass 136.125 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-JP000247
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB08921 drugbank
    CHEBI:15382 chebi
    LMPR0102090013 lipidmaps
    9IR rcsb_pdb
    CHEMBL449062 chembl
    22013 surechembl
    440917 pubchem
    GFD7C86Q1W fdasrs
    PD013672 probes_and_drugs
    ZURRUC CCDC
    131543 brenda
    149159 brenda
    18691 brenda
    228726 brenda
    50377 brenda
    5882 brenda
    59549 brenda
    6927 brenda
    78699 brenda
    HMDB0003375 hmdb
    Molport-002-507-206 molport
    The data in this table is sourced from UniChem at EBI.