Dataset

Albendazole Sulfone

This MassBank record with Accession MSBNK-Athens_Univ-AU105901 contains the MS2 mass spectrum of Albendazole Sulfone with the InChIkey CLSJYOLYMZNKJB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
SMILES CCCS(=O)(=O)c1ccc2c(c1)[nH]c(n2)/N=C(\O)/OC
InChI Key CLSJYOLYMZNKJB-UHFFFAOYSA-N
Molecular Formula C12H15N3O4S
Exact Mass 297.078 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-Athens_Univ-AU105901
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:50:16.733771
MetadataModified 2025-02-08T19:24:00.263619
MetadataPublished 2015-07-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C16626 KEGG Ligand
CHEMBL1779650 ChEMBL
J69.194A Nikkaji
HY-W019773 MedChemExpress
DTXSID00226167 EPA CompTox Dashboard
CB2165637 ChemicalBook
80620 ChEBI
HMDB0060561 Human Metabolome Database
ZINC000005424275 ZINC
MCULE-2129114149 Mcule
SCHEMBL12684800 SureChEMBL
14873613 PubChem: Thomson Pharma
53174 PubChem
75184-71-3 ACToR
PD164118 ProbesDrugs
1UIC88380G FDA SRS
1201276 eMolecules
The data in this table is sourced from UniChem at EBI.