Dataset

N-Butylbenzenesulfonamide

This MassBank record with Accession MSBNK-Athens_Univ-AU229958 contains the MS2 mass spectrum of N-Butylbenzenesulfonamide with the InChIkey IPRJXAGUEGOFGG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
SMILES CCCCNS(=O)(=O)C1=CC=CC=C1
InChI Key IPRJXAGUEGOFGG-UHFFFAOYSA-N
Molecular Formula C10H15NO2S
Exact Mass 213.082 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU229958
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:54:36.548170
MetadataModified 2025-02-08T19:09:02.796099
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB0339807 ChemicalBook
MTBLC44237 Metabolights
20143229 NMRShiftDB
YO7UAW6717 FDA SRS
MCULE-9258708920 Mcule
PD008187 ProbesDrugs
SCHEMBL51729 SureChEMBL
3622-84-2 ACToR
16688961 PubChem: Thomson Pharma
44237 ChEBI
19241 PubChem
535474 eMolecules
DB02055 DrugBank
NBB PDBe
CHEMBL479880 ChEMBL
ZINC000001666831 ZINC
DTXSID7027540 EPA CompTox Dashboard
J62.171D Nikkaji
The data in this table is sourced from UniChem at EBI.