Dataset

Sulfamethoxazole

This MassBank record with Accession MSBNK-Athens_Univ-AU101804 contains the MS2 mass spectrum of Sulfamethoxazole with the InChIkey JLKIGFTWXXRPMT-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
SMILES	CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1
InChI Key	JLKIGFTWXXRPMT-UHFFFAOYSA-N
Molecular Formula	C10H11N3O3S
Exact Mass	253.052 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-AU101804
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T10:08:41.427575
MetadataModified	2025-02-08T19:08:53.374577
MetadataPublished	2015-12-07

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
50029770	BindingDB
SLFNMB	CCDC
J4.525J	Nikkaji
ZINC000000089763	ZINC
2514	DrugCentral
DTXSID8026064	EPA CompTox Dashboard
2097	Brenda
HY-B0322	MedChemExpress
SULFAMETHOXAZOLE	rxnorm
SULFAMETHOXAZOLE	clinicaltrials
GANTANOL	clinicaltrials
SULFAMETHOXAZOLE	DailyMed
10933	Guide to Pharmacology
CHEMBL443	ChEMBL
C07315	KEGG Ligand
SAM002554930	NIH Clinical Collection
DB01015	DrugBank
9332	ChEBI
PD001746	ProbesDrugs
08D	PDBe
JE42381TNV	FDA SRS
LSM-5422	LINCS
5329	PubChem
129378-89-8	ACToR
Sulfamethoxazole	Selleck
14798729	PubChem: Thomson Pharma
SCHEMBL3656	SureChEMBL
511895	eMolecules
50294	Brenda
HMDB0015150	Human Metabolome Database
PA451544	PharmGKB
CB6473303	ChemicalBook
sulfamethoxazole	DailyMed
MCULE-1450176600	Mcule
20208059	NMRShiftDB
The data in this table is sourced from UniChem at EBI.