Dataset

Sulfamethazine

This MassBank record with Accession MSBNK-Athens_Univ-AU100803 contains the MS2 mass spectrum of Sulfamethazine with the InChIkey ASWVTGNCAZCNNR-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
SMILES	CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1
InChI Key	ASWVTGNCAZCNNR-UHFFFAOYSA-N
Molecular Formula	C12H14N4O2S
Exact Mass	278.084 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-Athens_Univ-AU100803
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:46:09.328409
MetadataModified	2024-01-11T09:46:09.469691
MetadataPublished	2015-12-06

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB8116727	ChemicalBook
226950	Brenda
5327	PubChem
HMDB0015522	Human Metabolome Database
69579	Brenda
2502	DrugCentral
DTXSID6021290	EPA CompTox Dashboard
3845	Brenda
SULFADIMIDINE	clinicaltrials
HY-B0035	MedChemExpress
227784	Brenda
SULFAMETHAZINE	clinicaltrials
50238670	BindingDB
SULFAMETHAZINE	rxnorm
ZINC000000057494	ZINC
PD001748	ProbesDrugs
48U51W007F	FDA SRS
LSM-5295	LINCS
14775220	PubChem: Thomson Pharma
PA451542	PharmGKB
sulfamethazine	Selleck
57-68-1	ACToR
MCULE-7831442410	Mcule
SLFNMD	CCDC
J106.516E	Nikkaji
SCHEMBL151305	SureChEMBL
20208328	NMRShiftDB
DB01582	DrugBank
CHEMBL446	ChEMBL
102265	ChEBI
C19530	KEGG Ligand
474320	eMolecules
The data in this table is sourced from UniChem at EBI.