Dataset

[6]-Gingerol; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR308731 contains the MS2 mass spectrum of [6]-Gingerol with the InChIkey NLDDIKRKFXEWBK-AWEZNQCLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1
SMILES CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O
InChI Key NLDDIKRKFXEWBK-AWEZNQCLSA-N
Molecular Formula C17H26O4
Exact Mass 294.183 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-RIKEN-PR308731
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    63483 Brenda
    MTBLC10136 Metabolights
    210595 Brenda
    CB4328683 ChemicalBook
    189572 Brenda
    SCHEMBL32102 SureChEMBL
    10136 ChEBI
    442793 PubChem
    60022506 NMRShiftDB
    LMPK15020007 LipidMaps
    16813919 PubChem: Thomson Pharma
    925QK2Z900 FDA SRS
    LSM-2569 LINCS
    23513-14-6 ACToR
    PD015674 ProbesDrugs
    1934620 eMolecules
    HY-14615 MedChemExpress
    2428 Guide to Pharmacology
    DTXSID3041035 EPA CompTox Dashboard
    ZINC000001531846 ZINC
    J46.683B Nikkaji
    C10462 KEGG Ligand
    CHEMBL402978 ChEMBL
    The data in this table is sourced from UniChem at EBI.