Dataset

Thiocyclam

This MassBank record with Accession MSBNK-Athens_Univ-AU382501 contains the MS2 mass spectrum of Thiocyclam with the InChIkey DNVLJEWNNDHELH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3
SMILES CN(C)C1CSSSC1
InChI Key DNVLJEWNNDHELH-UHFFFAOYSA-N
Molecular Formula C5H11NS3
Exact Mass 181.005 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU382501
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:50:24.821413
MetadataModified 2025-02-08T19:00:15.203893
MetadataPublished 2016-02-22
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4947 ChEBI
CHEMBL1551939 ChEMBL
C11473 KEGG Ligand
DTXSID9047209 EPA CompTox Dashboard
HMDB0259009 Human Metabolome Database
J1.882A Nikkaji
CB41177385 ChemicalBook
ZINC000000967835 ZINC
35970 PubChem
9YQ0903F7V FDA SRS
31895-21-3 ACToR
SCHEMBL27258 SureChEMBL
16936129 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.