Dataset

Sulfanilic acid

This MassBank record with Accession MSBNK-UvA_IBED-UI000401 contains the MS2 mass spectrum of Sulfanilic acid with the InChIkey HVBSAKJJOYLTQU-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
SMILES	Nc1ccc(cc1)S(O)(=O)=O
InChI Key	HVBSAKJJOYLTQU-UHFFFAOYSA-N
Molecular Formula	C6H7NO3S
Exact Mass	173.015 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-UvA_IBED-UI000401
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T19:56:35.172952
MetadataModified	2025-02-09T19:56:35.373925
MetadataPublished	2024-08-27

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
27500	ChEBI
C06335	KEGG Ligand
CHEMBL1566888	ChEMBL
AFAZEM	CCDC
HMDB0258581	Human Metabolome Database
J2.924F	Nikkaji
225215	Brenda
10787	Brenda
DTXSID6024464	EPA CompTox Dashboard
ZINC000001530397	ZINC
50443531	BindingDB
MCULE-9573132621	Mcule
20096913	NMRShiftDB
5232424	PubChem
CB1489237	ChemicalBook
208535	Brenda
MTBLC27500	Metabolights
91622	Brenda
49818	Brenda
108372	Brenda
PD073823	ProbesDrugs
434Z8C2635	FDA SRS
8479	PubChem
SCHEMBL24407	SureChEMBL
14769580	PubChem: Thomson Pharma
121-57-3	ACToR
478819	eMolecules
The data in this table is sourced from UniChem at EBI.