Dataset

Levamisole

This MassBank record with Accession MSBNK-Athens_Univ-AU117202 contains the MS2 mass spectrum of Levamisole with the InChIkey HLFSDGLLUJUHTE-SNVBAGLBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1
SMILES c1ccc(cc1)[C@H]2CN3CCSC3=N2
InChI Key HLFSDGLLUJUHTE-SNVBAGLBSA-N
Molecular Formula C11H12N2S
Exact Mass 204.072 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU117202
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T08:52:34.737152
MetadataModified 2025-02-08T19:07:25.026286
MetadataPublished 2015-09-23
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
26879 PubChem
14748767 PubChem: Thomson Pharma
PD009109 ProbesDrugs
2880D3468G FDA SRS
15171780 PubChem: Thomson Pharma
14769-73-4 ACToR
PA450205 PharmGKB
LSM-6655 LINCS
29542986 eMolecules
HMDB0014986 Human Metabolome Database
3477 Brenda
SCHEMBL19227 SureChEMBL
6432 ChEBI
MCULE-4392506462 Mcule
DB00848 DrugBank
C07070 KEGG Ligand
CHEMBL1454 ChEMBL
1561 DrugCentral
ZINC000000119839 ZINC
7210 Guide to Pharmacology
J8.518I Nikkaji
SAWJIJ CCDC
50241179 BindingDB
DTXSID4023206 EPA CompTox Dashboard
R 12,564 clinicaltrials
NSC-177023 clinicaltrials
ERGAMISOL clinicaltrials
KETRAX clinicaltrials
R-12564 clinicaltrials
LEVAMISOLE HYDROCHLORIDE clinicaltrials
LEVAMISOLE clinicaltrials
LEVAMISOLE rxnorm
LEVAMISOLE HYDROCHLORIDE rxnorm
The data in this table is sourced from UniChem at EBI.