Dataset

Nantenine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR300548 contains the MS2 mass spectrum of Nantenine with the InChIkey WSVWKHTVFGTTKJ-AWEZNQCLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
SMILES COC1=C(OC)C2=C3[C@H](CC4=CC5=C(OCO5)C=C24)N(C)CCC3=C1
InChI Key WSVWKHTVFGTTKJ-AWEZNQCLSA-N
Molecular Formula C20H21NO4
Exact Mass 339.391 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-PR300548
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MetadataPublished 2019-03-28
Related Molecule
  • (12S)-18,19-dimethoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:68992 chebi
    CHEMBL179440 chembl
    1254592 surechembl
    197001 pubchem
    XE0AU8C122 fdasrs
    Molport-046-158-528 molport
    50160160 bindingdb
    The data in this table is sourced from UniChem at EBI.