Dataset

Hordenine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300540 contains the MS2 mass spectrum of Hordenine with the InChIkey KUBCEEMXQZUPDQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3
SMILES CN(C)CCC1=CC=C(O)C=C1
InChI Key KUBCEEMXQZUPDQ-UHFFFAOYSA-N
Molecular Formula C10H15NO
Exact Mass 165.236 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-PR300540
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 4-[2-(dimethylamino)ethyl]phenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB4747471 ChemicalBook
    CB21261198 ChemicalBook
    HMDB0004366 Human Metabolome Database
    MTBLC5764 Metabolights
    SCHEMBL36798 SureChEMBL
    MCULE-5733361719 Mcule
    68313 PubChem
    60015803 NMRShiftDB
    PD010732 ProbesDrugs
    15091285 PubChem: Thomson Pharma
    539-15-1 ACToR
    Hordenine Selleck
    K3489CA082 FDA SRS
    873168 eMolecules
    C06199 KEGG Ligand
    5764 ChEBI
    CHEMBL505789 ChEMBL
    HY-N0113 MedChemExpress
    HORDENINE rxnorm
    ZINC000000160784 ZINC
    TALJIZ CCDC
    J6.381I Nikkaji
    DTXSID2046096 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.