Dataset

Thidiazuron

This MassBank record with Accession MSBNK-Waters-WA000216 contains the MS2 mass spectrum of Thidiazuron with the InChIkey HFCYZXMHUIHAQI-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
SMILES	O=C(Nc(c2)cccc2)Nc(c1)snn1
InChI Key	HFCYZXMHUIHAQI-UHFFFAOYSA-N
Molecular Formula	C9H8N4OS
Exact Mass	220.042 g/mol

Data and Resources

ThidiazuronHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000216
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:50:20.472229
MetadataModified	2024-01-11T22:50:20.649885
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C18812	KEGG Ligand
CHEMBL505661	ChEMBL
WA1	PDBe
510273	eMolecules
51707-55-2	ACToR
0091WH7STF	FDA SRS
PD017844	ProbesDrugs
40087	PubChem
16411638	PubChem: Thomson Pharma
11160	Brenda
CB3684289	ChemicalBook
19363	Brenda
ZINC000000073715	ZINC
81977	ChEBI
DTXSID0032651	EPA CompTox Dashboard
50274591	BindingDB
J11.216J	Nikkaji
SCHEMBL121077	SureChEMBL
MCULE-8227703755	Mcule
MolPort-001-889-370	MolPort
The data in this table is sourced from UniChem at EBI.