Dataset

Lupinine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA000301 contains the MS2 mass spectrum of Lupinine with the InChIkey HDVAWXXJVMJBAR-VHSXEESVSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1
SMILES OC[C@@H]1CCCN2CCCC[C@H]12
InChI Key HDVAWXXJVMJBAR-VHSXEESVSA-N
Molecular Formula C10H19NO
Exact Mass 169.147 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-NaToxAq-NA000301
Version
Author
Maintainer
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MetadataPublished 2019-02-28
Related Molecule
  • [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:28012 chebi
    CHEMBL459397 chembl
    177708 surechembl
    91461 pubchem
    33BAJ73U1F fdasrs
    F74RAC8A5Q fdasrs
    PD000765 probes_and_drugs
    183885 brenda
    251291 brenda
    DTXSID00197565 comptox
    DTXSID80871679 comptox
    Molport-001-790-881 molport
    The data in this table is sourced from UniChem at EBI.