Dataset

Allylthiourea

This MassBank record with Accession MSBNK-Eawag-EQ01061302 contains the MS2 mass spectrum of Allylthiourea with the InChIkey HTKFORQRBXIQHD-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
SMILES	C=CCNC(=S)N
InChI Key	HTKFORQRBXIQHD-UHFFFAOYSA-N
Molecular Formula	C4H8N2S
Exact Mass	116.041 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01061302
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T10:06:45.929492
MetadataModified	2025-02-09T10:06:46.107223
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J2.432E	Nikkaji
ALYTUR	CCDC
ALLYLTHIOUREA	DailyMed
ALLYLTHIOUREA	rxnorm
HY-B0543	MedChemExpress
DTXSID3024449	EPA CompTox Dashboard
allylthiourea	Selleck
CHEMBL1451910	ChEMBL
ZINC000003875768	ZINC
allylthiourea	DailyMed
CB3145441	ChemicalBook
74522	Brenda
20110	Brenda
MTBLC74079	Metabolights
MCULE-4099442157	Mcule
SCHEMBL29372	SureChEMBL
74079	ChEBI
1549517	PubChem
PD000187	ProbesDrugs
15461854	PubChem: Thomson Pharma
109-57-9	ACToR
706IDJ14B7	FDA SRS
476308	eMolecules
The data in this table is sourced from UniChem at EBI.