Dataset

Cytisin; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA003019 contains the MS2 mass spectrum of Cytisin with the InChIkey ANJTVLIZGCUXLD-DTWKUNHWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1
SMILES C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2
InChI Key ANJTVLIZGCUXLD-DTWKUNHWSA-N
Molecular Formula C11H14N2O
Exact Mass 190.111 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA003019
Version
Author
Maintainer
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MetadataPublished 2020-02-22
Related Molecule
  • (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB09028 drugbank
    CHEBI:4055 chebi
    C5E rcsb_pdb
    CHEMBL497939 chembl
    161398 surechembl
    10235 pubchem
    53S5U404NU fdasrs
    C5E - Ideal conformer pdbe
    PD009400 probes_and_drugs
    FITPIH CCDC
    Molport-000-880-972 molport
    5217 drugcentral
    50143282 bindingdb
    The data in this table is sourced from UniChem at EBI.