Dataset

Thiazafluron

This MassBank record with Accession MSBNK-Eawag-EQ01131302 contains the MS2 mass spectrum of Thiazafluron with the InChIkey BBJPZPLAZVZTGR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H7F3N4OS/c1-10-4(14)13(2)5-12-11-3(15-5)6(7,8)9/h1-2H3,(H,10,14)
SMILES CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F
InChI Key BBJPZPLAZVZTGR-UHFFFAOYSA-N
Molecular Formula C6H7F3N4OS
Exact Mass 240.029 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-EQ01131302
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:07:40.152215
MetadataModified 2025-02-09T09:55:06.558547
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J3.477K Nikkaji
82215 ChEBI
ZINC000002013511 ZINC
DTXSID20180010 EPA CompTox Dashboard
C19093 KEGG Ligand
SCHEMBL135149 SureChEMBL
25366-23-8 ACToR
WX8ID0K28Q FDA SRS
510271 eMolecules
32921 PubChem
The data in this table is sourced from UniChem at EBI.