Dataset

Strychnine; LC-ESI-Q; MS; POS; 15 V, 45 V

This MassBank record with Accession MSBNK-Waters-WA000648 contains the MS 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 c(c7)cc(c(c7)1)N(C(=O)6)C([H])(C([H])45)C(C2)1C(C3)N(CC(=CCOC([H])(C6)5)C34)C2
InChI Key QMGVPVSNSZLJIA-FVWCLLPLSA-N
Molecular Formula C21H22N2O2
Exact Mass 334.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000648
Version
Author
Maintainer
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MetadataPublished 2016-01-19
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
    16617507 PubChem: Thomson Pharma
    441071 PubChem
    15988875 PubChem: Thomson Pharma
    H9Y79VD43J FDA SRS
    16220048 PubChem: Thomson Pharma
    PD014394 ProbesDrugs
    29909187 eMolecules
    29541143 eMolecules
    510211 eMolecules
    MTBLC28973 Metabolights
    strychnine DailyMed
    SCHEMBL93798 SureChEMBL
    MCULE-9004784754 Mcule
    28973 ChEBI
    CHEMBL227934 ChEMBL
    C06522 KEGG Ligand
    STRYCHNINE DailyMed
    40265284 NMRShiftDB
    ZINC000000119434 ZINC
    2484 DrugCentral
    STRYCHNINE NITRATE rxnorm
    ZZZUEE CCDC
    STRYCHNINE SULFATE rxnorm
    252948 Brenda
    STRYCHNINE PHOSPHATE rxnorm
    J4.576D Nikkaji
    STRYCHNINE rxnorm
    DB15954 DrugBank
    MCULE-2750751964 Mcule
    DTXSID6023600 EPA CompTox Dashboard
    2360 Guide to Pharmacology
    347 Guide to Pharmacology
    50225707 BindingDB
    SY9 PDBe
    The data in this table is sourced from UniChem at EBI.