Dataset

6-methyl-2-thiouracil

This MassBank record with Accession MSBNK-Athens_Univ-AU172201 contains the MS2 mass spectrum of 6-methyl-2-thiouracil with the InChIkey HWGBHCRJGXAGEU-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
SMILES	Cc1cc(=O)[nH]c(=S)[nH]1
InChI Key	HWGBHCRJGXAGEU-UHFFFAOYSA-N
Molecular Formula	C5H6N2OS
Exact Mass	142.020 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU172201
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:57:50.993534
MetadataModified	2025-02-08T19:11:25.608484
MetadataPublished	2016-02-21

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
10116802	NMRShiftDB
MCULE-5250952546	Mcule
CB3108758	ChemicalBook
ZINC000005037820	ZINC
667493	PubChem
PD001856	ProbesDrugs
QW24888U5F	FDA SRS
16935479	PubChem: Thomson Pharma
SCHEMBL159989	SureChEMBL
methylthiouracil	Selleck
15194611	PubChem: Thomson Pharma
56-04-2	ACToR
3741967	eMolecules
511404	eMolecules
884784	eMolecules
CHEMBL1330588	ChEMBL
C19265	KEGG Ligand
J4.566G	Nikkaji
HMDB0254667	Human Metabolome Database
ZZZGEO	CCDC
50239994	BindingDB
HY-B0513	MedChemExpress
82346	ChEBI
DTXSID2020890	EPA CompTox Dashboard
1773	DrugCentral
DB13644	DrugBank
The data in this table is sourced from UniChem at EBI.