Dataset

Humantenine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR304539 contains the MS2 mass spectrum of Humantenine with the InChIkey SJKRPUOXUNOPOP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H26N2O3/c1-4-13-11-22(2)18-10-21(19-9-14(13)15(18)12-26-19)16-7-5-6-8-17(16)23(25-3)20(21)24/h4-8,14-15,18-19H,9-12H2,1-3H3
SMILES CON1C(=O)C2(CC3C4COC2CC4C(CN3C)=CC)C2=CC=CC=C12
InChI Key SJKRPUOXUNOPOP-UHFFFAOYSA-N
Molecular Formula C21H26N2O3
Exact Mass 354.450 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-PR304539
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MetadataPublished 2019-03-28
Related Molecule
  • 7-ethylidene-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    181368 ChEBI
    75055101 PubChem
    The data in this table is sourced from UniChem at EBI.