Dataset

Albendazole sulfone

This MassBank record with Accession MSBNK-Waters-WA001744 contains the MS 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)C1=CC2=C(C=C1)N=C(N2)NC(=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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001744
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:10.550315
MetadataModified 2024-01-11T22:48:10.733407
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14873613 PubChem: Thomson Pharma
53174 PubChem
75184-71-3 ACToR
PD164118 ProbesDrugs
1UIC88380G FDA SRS
SCHEMBL12684800 SureChEMBL
J69.194A Nikkaji
MCULE-2129114149 Mcule
ZINC000005424275 ZINC
DTXSID00226167 EPA CompTox Dashboard
HY-W019773 MedChemExpress
CB2165637 ChemicalBook
80620 ChEBI
HMDB0060561 Human Metabolome Database
CHEMBL1779650 ChEMBL
C16626 KEGG Ligand
1201276 eMolecules
The data in this table is sourced from UniChem at EBI.