Dataset

Chlormethiazole

This MassBank record with Accession MSBNK-Eawag-EQ01056302 contains the MS2 mass spectrum of Chlormethiazole with the InChIkey PCLITLDOTJTVDJ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3
SMILES	CC1=C(SC=N1)CCCl
InChI Key	PCLITLDOTJTVDJ-UHFFFAOYSA-N
Molecular Formula	C6H8ClNS
Exact Mass	161.007 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-EQ01056302
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T10:09:33.627001
MetadataModified	2025-02-09T10:09:33.797766
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL315795	ChEMBL
J6.328B	Nikkaji
HMDB0250350	Human Metabolome Database
CHLORMETHIAZOLE	rxnorm
CLOMETHIAZOLE	clinicaltrials
HY-129105	MedChemExpress
92875	ChEBI
DTXSID6022842	EPA CompTox Dashboard
602	DrugCentral
ZINC000000001192	ZINC
112700	Brenda
DB06470	DrugBank
234400	BindingDB
MCULE-7226587757	Mcule
PD013687	ProbesDrugs
0C5DBZ19HV	FDA SRS
LSM-3110	LINCS
533-45-9	ACToR
SCHEMBL35223	SureChEMBL
15147015	PubChem: Thomson Pharma
10783	PubChem
1934255	eMolecules
The data in this table is sourced from UniChem at EBI.