Dataset

Acetyl-sulfamethoxazole

This MassBank record with Accession MSBNK-UFZ-UF411751 contains the MS2 mass spectrum of Acetyl-sulfamethoxazole with the InChIkey GXPIUNZCALHVBA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
SMILES	CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NOC(C)=C1
InChI Key	GXPIUNZCALHVBA-UHFFFAOYSA-N
Molecular Formula	C12H13N3O4S
Exact Mass	295.063 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF411751
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:02:32.527389
MetadataModified	2025-02-09T19:45:56.298319
MetadataPublished	2017-01-05
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-2536239556	Mcule
HMDB0013854	Human Metabolome Database
128814	Brenda
143157	Brenda
145764	Brenda
MTBLC31169	Metabolights
65280	PubChem
SCHEMBL1502536	SureChEMBL
15345433	PubChem: Thomson Pharma
3I1988834Q	FDA SRS
21312-10-7	ACToR
PD014328	ProbesDrugs
1256922	eMolecules
J226.185E	Nikkaji
HY-W013266	MedChemExpress
CB7197756	ChemicalBook
AMUTIN	CCDC
ZINC000000089688	ZINC
CHEMBL3560298	ChEMBL
DTXSID8049044	EPA CompTox Dashboard
C13061	KEGG Ligand
31169	ChEBI
The data in this table is sourced from UniChem at EBI.