Dataset

Phenylbenzimidazole sulfonic acid

This MassBank record with Accession MSBNK-Athens_Univ-AU285906 contains the MS2 mass spectrum of Phenylbenzimidazole sulfonic acid with the InChIkey UVCJGUGAGLDPAA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)
SMILES	OS(=O)(=O)C1=CC=C2NC(=NC2=C1)C1=CC=CC=C1
InChI Key	UVCJGUGAGLDPAA-UHFFFAOYSA-N
Molecular Formula	C13H10N2O3S
Exact Mass	274.041 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU285906
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:49:04.670027
MetadataModified	2025-02-08T19:11:48.077522
MetadataPublished	2019-05-31

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL16277	SureChEMBL
1712019	PubChem
14750667	PubChem: Thomson Pharma
165659-93-8	ACToR
9YQ9DI1W42	FDA SRS
CHEMBL1987518	ChEMBL
PD014085	ProbesDrugs
2362471	eMolecules
33919	PubChem
713798	eMolecules
14897326	PubChem: Thomson Pharma
BUCTIF	CCDC
ENSULIZOLE	DailyMed
ENSULIZOLE	rxnorm
ENSULIZOLE	clinicaltrials
HY-109654	MedChemExpress
DB11115	DrugBank
J250.527D	Nikkaji
ZINC000006467621	ZINC
181124	BindingDB
135132	ChEBI
3179	DrugCentral
DTXSID3038852	EPA CompTox Dashboard
ensulizole	DailyMed
CB4394499	ChemicalBook
MCULE-5496388555	Mcule
The data in this table is sourced from UniChem at EBI.