Dataset

(-)-Strychnine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA002535 contains the MS2 mass spectrum of (-)-Strychnine with the InChIkey QMGVPVSNSZLJIA-FVWCLLPLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
SMILES c1ccc2c(c1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5
InChI Key QMGVPVSNSZLJIA-FVWCLLPLSA-N
Molecular Formula C21H22N2O2
Exact Mass 334.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA002535
Version
Author
Maintainer
Language
MetadataPublished 2020-02-21
Related Molecule
  • (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB15954 drugbank
    CHEBI:28973 chebi
    SY9 rcsb_pdb
    CHEMBL227934 chembl
    14029424 surechembl
    93798 surechembl
    441071 pubchem
    H9Y79VD43J fdasrs
    SY9 pdbe
    PD014394 probes_and_drugs
    ZZZUEE CCDC
    252948 brenda
    2484 drugcentral
    50225707 bindingdb
    The data in this table is sourced from UniChem at EBI.