Dataset

Sulfadimethoxine

This MassBank record with Accession MSBNK-Athens_Univ-AU100904 contains the MS2 mass spectrum of Sulfadimethoxine with the InChIkey ZZORFUFYDOWNEF-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
SMILES	COc1cc(nc(n1)OC)NS(=O)(=O)c2ccc(cc2)N
InChI Key	ZZORFUFYDOWNEF-UHFFFAOYSA-N
Molecular Formula	C12H14N4O4S
Exact Mass	310.074 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-AU100904
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:43:01.902965
MetadataModified	2024-01-11T09:43:02.051994
MetadataPublished	2015-09-22

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
23506	Brenda
HMDB0015621	Human Metabolome Database
CB7333026	ChemicalBook
PA165958357	PharmGKB
sulphadimethoxine	Selleck
ZINC000013233295	ZINC
474304	eMolecules
122-11-2	ACToR
1037-50-9	ACToR
LSM-5790	LINCS
30CPC5LDEX	FDA SRS
80004549	NMRShiftDB
PD001499	ProbesDrugs
14850012	PubChem: Thomson Pharma
5323	PubChem
SCHEMBL93845	SureChEMBL
MCULE-5924558211	Mcule
CHEMBL62193	ChEMBL
32161	ChEBI
DB06150	DrugBank
SULFADIMETHOXINE	rxnorm
SFDMOX	CCDC
J3.257C	Nikkaji
HY-B0337	MedChemExpress
SULFADIMETHOXINE SODIUM	rxnorm
50238669	BindingDB
2501	DrugCentral
DTXSID1023607	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.