Dataset

R-(-)-Carvone; ESI-QTOF; MS2; CE: 20; [M+H]+

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT002469 contains the MS2 mass spectrum of R-(-)-Carvone with the InChIkey ULDHMXUKGWMISQ-SECBINFHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
SMILES CC1=CC[C@H](CC1=O)C(C)=C
InChI Key ULDHMXUKGWMISQ-SECBINFHSA-N
Molecular Formula C10H14O
Exact Mass 150.104 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-EPA-ENTACT_AGILENT002469
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MetadataPublished 2023-09-19
Related Molecule
  • (5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J15.688D Nikkaji
    92864 Brenda
    CARVONE, (-)- rxnorm
    RERXIV CCDC
    LMPR0102090007 LipidMaps
    60000005 NMRShiftDB
    DTXSID7041413 EPA CompTox Dashboard
    CHEMBL2229268 ChEMBL
    439570 PubChem
    15400 ChEBI
    C01767 KEGG Ligand
    MCULE-7861636306 Mcule
    MCULE-7452592467 Mcule
    HMDB0035089 Human Metabolome Database
    15400 Rhea
    CB1733358 ChemicalBook
    218054 Brenda
    MTBLC15400 Metabolights
    21416 Brenda
    6400 Brenda
    18736 Brenda
    174965 Brenda
    ZINC000014588455 ZINC
    479791 eMolecules
    15315435 PubChem: Thomson Pharma
    16129891 PubChem: Thomson Pharma
    07V PDBe
    5TO7X34D3D FDA SRS
    SCHEMBL230994 SureChEMBL
    260113 Brenda
    The data in this table is sourced from UniChem at EBI.