Dataset

Strychnine

This MassBank record with Accession MSBNK-RIKEN-PR300524 contains the MS2 mass spectrum of Strychnine with the InChIkey QMGVPVSNSZLJIA-FVWCLLPLSA-N.

Chemical Info

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 O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1C1=CC=CC=C61
InChI Key QMGVPVSNSZLJIA-FVWCLLPLSA-N
Molecular Formula C21H22N2O2
Exact Mass 334.419 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300524
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:26:13.298790
MetadataModified 2025-02-09T18:39:44.879264
MetadataPublished 2019-03-28
Related Molecule
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.