Dataset

Sulfathiazole

This MassBank record with Accession MSBNK-Athens_Univ-AU102305 contains the MS2 mass spectrum of Sulfathiazole with the InChIkey JNMRHUJNCSQMMB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
SMILES	NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1
InChI Key	JNMRHUJNCSQMMB-UHFFFAOYSA-N
Molecular Formula	C9H9N3O2S2
Exact Mass	255.014 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU102305
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:49:14.312623
MetadataModified	2024-01-11T09:49:14.448654
MetadataPublished	2019-05-30

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL94165	SureChEMBL
MCULE-1370710137	Mcule
5340	PubChem
474324	eMolecules
PD001743	ProbesDrugs
YTZ	PDBe
Y7FKS2XWQH	FDA SRS
LSM-5327	LINCS
72-14-0	ACToR
158269-46-6	ACToR
sulfathiazole	Selleck
15122365	PubChem: Thomson Pharma
HMDB0015619	Human Metabolome Database
CB6133470	ChemicalBook
CB5402449	ChemicalBook
C11169	KEGG Ligand
CHEMBL437	ChEMBL
9337	ChEBI
DB06147	DrugBank
SULFATHIAZOLE	rxnorm
SULFATHIAZOLE SODIUM	rxnorm
HY-B0507	MedChemExpress
3232	Brenda
50027796	BindingDB
2527	DrugCentral
ZINC000000121458	ZINC
J1.425G	Nikkaji
SUTHAZ	CCDC
DTXSID8026068	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.