Dataset

Sulfurol, 4-Methyl-5-hydroxyethylthiazole, MHT, Hemineurine, 4-Methyl-5-thiazoleethanol

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS065204 contains the MS2 mass spectrum of Sulfurol, 4-Methyl-5-hydroxyethylthiazole, MHT, Hemineurine, 4-Methyl-5-thiazoleethanol with the InChIkey BKAWJIRCKVUVED-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
SMILES	CC1=C(SC=N1)CCO
InChI Key	BKAWJIRCKVUVED-UHFFFAOYSA-N
Molecular Formula	C6H9NOS
Exact Mass	143.209 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-RIKEN_ReSpect-PS065204
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:07:06.215314
MetadataModified	2024-01-11T21:07:06.387636
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
15412919	PubChem: Thomson Pharma
1136	PubChem
PD007492	ProbesDrugs
847870-14-8	ACToR
137-00-8	ACToR
SCHEMBL259480	SureChEMBL
3XYV4I47I8	FDA SRS
MCULE-7651382617	Mcule
J5.626J	Nikkaji
20146176	NMRShiftDB
5914	Brenda
HMDB0032985	Human Metabolome Database
17957	Rhea
20033	Brenda
486961	eMolecules
MTBLC17957	Metabolights
2587	Brenda
CB6127677	ChemicalBook
50016817	BindingDB
ZINC000000160790	ZINC
DTXSID3044382	EPA CompTox Dashboard
TZE	PDBe
17957	ChEBI
CHEMBL1236482	ChEMBL
C04294	KEGG Ligand
DB02969	DrugBank
The data in this table is sourced from UniChem at EBI.