Dataset

(R)-(+)-Limonene; APCI-Q; MS; positive; APCI; H+

This MassBank record with Accession MSBNK-MSSJ-MSJ00081 contains the MS mass spectrum of (R)-(+)-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-MSSJ-MSJ00081
Version
Author
Maintainer
Language
MetadataPublished 2019-01-31
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
    DTXSID1020778 EPA CompTox Dashboard
    LMPR0102090013 LipidMaps
    ZINC000000967513 ZINC
    J9.591E Nikkaji
    40131608 NMRShiftDB
    HMDB0003375 Human Metabolome Database
    ZURRUC CCDC
    D-LIMONENE clinicaltrials
    228726 Brenda
    59549 Brenda
    15382 ChEBI
    C06099 KEGG Ligand
    CHEMBL449062 ChEMBL
    131543 Brenda
    6927 Brenda
    18691 Brenda
    5882 Brenda
    50377 Brenda
    78699 Brenda
    149159 Brenda
    15382 Rhea
    DB08921 DrugBank
    CB9853935 ChemicalBook
    MTBLC15382 Metabolights
    SCHEMBL22013 SureChEMBL
    440917 PubChem
    9IR PDBe
    PD013672 ProbesDrugs
    15120000 PubChem: Thomson Pharma
    15119999 PubChem: Thomson Pharma
    GFD7C86Q1W FDA SRS
    486254 eMolecules
    The data in this table is sourced from UniChem at EBI.