Dataset

LIMONENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007559 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-JP007559
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    CHEBI:15382 chebi
    LMPR0102090013 lipidmaps
    9IR rcsb_pdb
    CHEMBL449062 chembl
    22013 surechembl
    440917 pubchem
    GFD7C86Q1W fdasrs
    9IR pdbe
    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
    DTXSID1020778 comptox
    NCT01046929 clinicaltrials
    NCT03609853 clinicaltrials
    NCT04392622 clinicaltrials
    NCT04853082 clinicaltrials
    NCT05525260 clinicaltrials
    NCT06378957 clinicaltrials
    Molport-002-507-206 molport
    The data in this table is sourced from UniChem at EBI.