Dataset

Sulfapyridine

This MassBank record with Accession MSBNK-UFZ-UF408804 contains the MS2 mass spectrum of Sulfapyridine with the InChIkey GECHUMIMRBOMGK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
SMILES NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1
InChI Key GECHUMIMRBOMGK-UHFFFAOYSA-N
Molecular Formula C11H11N3O2S
Exact Mass 249.057 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF408804
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:48:48.420658
MetadataModified 2025-02-09T19:48:38.640135
MetadataPublished 2017-01-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5336 PubChem
PD001745 ProbesDrugs
Y5V2N1KE8U FDA SRS
LSM-5531 LINCS
SCHEMBL44219 SureChEMBL
144-83-2 ACToR
Sulfapyridine(Dagenan) Selleck
15221159 PubChem: Thomson Pharma
511929 eMolecules
CB8423160 ChemicalBook
12698 Brenda
PA164779050 PharmGKB
MCULE-7911106459 Mcule
20202461 NMRShiftDB
DB00891 DrugBank
CHEMBL700 ChEMBL
132842 ChEBI
SULFAPYRIDINE clinicaltrials
HY-B0212 MedChemExpress
DTXSID3026067 EPA CompTox Dashboard
ZINC000000002105 ZINC
J5.831I Nikkaji
BEWKUJ CCDC
39340 BindingDB
SULFAPYRIDINE rxnorm
SFY PDBe
2524 DrugCentral
HMDB0015028 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.