Dataset

Albendazole Sulfoxide

This MassBank record with Accession MSBNK-Athens_Univ-AU106003 contains the MS2 mass spectrum of Albendazole Sulfoxide with the InChIkey VXTGHWHFYNYFFV-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
SMILES	CCCS(=O)c1ccc2c(c1)nc([nH]2)NC(=O)OC
InChI Key	VXTGHWHFYNYFFV-UHFFFAOYSA-N
Molecular Formula	C12H15N3O3S
Exact Mass	281.083 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-AU106003
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:42:54.255923
MetadataModified	2025-02-08T18:54:37.499448
MetadataPublished	2015-09-22
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB3319817	ChemicalBook
HMDB0059609	Human Metabolome Database
16959	Rhea
12421	Brenda
DB13871	DrugBank
15344552	PubChem: Thomson Pharma
16602051	PubChem: Thomson Pharma
83969	PubChem
70108811	NMRShiftDB
PD011076	ProbesDrugs
122063-18-7	ACToR
SCHEMBL321413	SureChEMBL
albendazole-oxide-ricobendazole	Selleck
2725457	eMolecules
5749713	eMolecules
C02809	KEGG Ligand
16959	ChEBI
CHEMBL1665	ChEMBL
J33.174K	Nikkaji
104	DrugCentral
DTXSID4057768	EPA CompTox Dashboard
J39B52TV34	FDA SRS
HY-12785	MedChemExpress
The data in this table is sourced from UniChem at EBI.