Dataset

Albendazole Sulfoxide

This MassBank record with Accession MSBNK-Athens_Univ-AU106004 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-AU106004
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:42:52.410041
MetadataModified	2024-01-11T09:42:52.554552
MetadataPublished	2015-09-22

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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