Dataset

TCMTB (Busan)

This MassBank record with Accession MSBNK-Eawag-EQ01142001 contains the MS2 mass spectrum of TCMTB (Busan) with the InChIkey TUBQDCKAWGHZPF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2
SMILES C1=CC=C2C(=C1)N=C(S2)SCSC#N
InChI Key TUBQDCKAWGHZPF-UHFFFAOYSA-N
Molecular Formula C9H6N2S3
Exact Mass 237.969 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-Eawag-EQ01142001
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:07:16.706225
MetadataModified 2025-02-09T09:59:26.250719
MetadataPublished 2023-08-10
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1903976 ChEMBL
30692 PubChem
HMDB0245617 Human Metabolome Database
DTXSID6032647 EPA CompTox Dashboard
ZINC000002016149 ZINC
J10.910J Nikkaji
CB9752494 ChemicalBook
SCHEMBL54175 SureChEMBL
36759506 eMolecules
PD098874 ProbesDrugs
5GE166YVQV FDA SRS
21564-17-0 ACToR
15220866 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.