Dataset

Senkirkine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA000449 contains the MS2 mass spectrum of Senkirkine with the InChIkey HPDHKHMHQGCNPE-QLJRNOHWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15-,19-/m1/s1
SMILES C/C=C\1/C[C@H]([C@@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)O)C
InChI Key HPDHKHMHQGCNPE-QLJRNOHWSA-N
Molecular Formula C19H27NO6
Exact Mass 365.184 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-NA000449
Version
Author
Maintainer
Language
MetadataPublished 2019-02-28
Related Molecule
  • (1R,4Z,6R,7R,11Z)-4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:9111 chebi
    CHEMBL470059 chembl
    5281752 pubchem
    X65P7V4LVJ fdasrs
    PD237328 probes_and_drugs
    SENKIR CCDC
    DTXSID4021266 comptox
    Molport-051-854-019 molport
    The data in this table is sourced from UniChem at EBI.