Dataset

Albendazole

This MassBank record with Accession MSBNK-Athens_Univ-AU105805 contains the MS2 mass spectrum of Albendazole with the InChIkey HXHWSAZORRCQMX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
SMILES CCCSc1ccc2c(c1)nc([nH]2)NC(=O)OC
InChI Key HXHWSAZORRCQMX-UHFFFAOYSA-N
Molecular Formula C12H15N3O2S
Exact Mass 265.088 g/mol

Data and Resources

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-AU105805
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:08:43.737646
MetadataModified 2025-02-08T19:14:11.216708
MetadataPublished 2015-09-22
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
143835 Brenda
VALBAZEN rxnorm
ALBENDAZOLE rxnorm
ALBENZA clinicaltrials
ALBENDAZOLE clinicaltrials
ZENTEL clinicaltrials
HY-B0223 MedChemExpress
DTXSID0022563 EPA CompTox Dashboard
103 DrugCentral
J11.391C Nikkaji
BOGFUZ CCDC
50241293 BindingDB
ALBENDAZOLE DailyMed
ALBENZA rxnorm
DB00518 DrugBank
C01779 KEGG Ligand
CHEMBL1483 ChEMBL
SAM002589939 NIH Clinical Collection
16664 ChEBI
12014008 PubChem: Drugs of the Future
MCULE-5872469561 Mcule
20207369 NMRShiftDB
SCHEMBL44682 SureChEMBL
16664 Rhea
ZINC000017146904 ZINC
HMDB0014659 Human Metabolome Database
albendazole DailyMed
3447 Brenda
CB0241320 ChemicalBook
1985404 eMolecules
534226 eMolecules
31777221 eMolecules
14823901 PubChem: Thomson Pharma
Albendazole(Albenza) Selleck
PA164746058 PharmGKB
2082 PubChem
LSM-3782 LINCS
F4216019LN FDA SRS
PD000815 ProbesDrugs
54965-21-8 ACToR
16704067 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.