Dataset

(S)-(-)-Limonene; APCI-ITFT; MS2; CE: 35 CID; [M+H]+

This MassBank record with Accession MSBNK-mFam-MC01_000057 contains the MS2 mass spectrum of (S)-(-)-Limonene with the InChIkey XMGQYMWWDOXHJM-UHFFFAOYSA-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
SMILES CC1=CCC(CC1)C(=C)C
InChI Key XMGQYMWWDOXHJM-UHFFFAOYSA-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-mFam-MC01_000057
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Author
Maintainer
Language
MetadataPublished 2023-01-17
Related Molecule
  • 1-methyl-4-prop-1-en-2-ylcyclohexene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB19146 drugbank
    CHEBI:15384 chebi
    CHEMBL15799 chembl
    797520 surechembl
    8829 surechembl
    22311 pubchem
    9MC3I34447 fdasrs
    PD001977 probes_and_drugs
    AHEXES CCDC
    9366 brenda
    HMDB0032473 hmdb
    DTXSID2029612 comptox
    FDB010103 foodb
    FDB013567 foodb
    FDB014115 foodb
    Molport-001-782-985 molport
    The data in this table is sourced from UniChem at EBI.