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

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