Dataset

Cytisin; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA003020 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-NA003020
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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 pdbe
    PD009400 probes_and_drugs
    FITPIH CCDC
    DTXSID00883395 comptox
    NCT02585024 clinicaltrials
    NCT02797587 clinicaltrials
    NCT02957786 clinicaltrials
    NCT03268343 clinicaltrials
    NCT03303911 clinicaltrials
    NCT03509948 clinicaltrials
    NCT03654105 clinicaltrials
    NCT03709823 clinicaltrials
    NCT03848208 clinicaltrials
    NCT04015414 clinicaltrials
    NCT04126135 clinicaltrials
    NCT04576949 clinicaltrials
    NCT05102123 clinicaltrials
    NCT05206370 clinicaltrials
    NCT05311085 clinicaltrials
    NCT05311085 clinicaltrials
    NCT05431387 clinicaltrials
    NCT05566288 clinicaltrials
    NCT05631938 clinicaltrials
    NCT05729243 clinicaltrials
    NCT05981768 clinicaltrials
    NCT06435221 clinicaltrials
    Molport-000-880-972 molport
    5217 drugcentral
    50143282 bindingdb
    The data in this table is sourced from UniChem at EBI.