Dataset

2-Butyl-1-2-benzisothiazolin-3-one

This MassBank record with Accession MSBNK-Eawag-EQ01142402 contains the MS2 mass spectrum of 2-Butyl-1-2-benzisothiazolin-3-one with the InChIkey LUYIHWDYPAZCNN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H13NOS/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)14-12/h4-7H,2-3,8H2,1H3
SMILES CCCCN1C(=O)C2=CC=CC=C2S1
InChI Key LUYIHWDYPAZCNN-UHFFFAOYSA-N
Molecular Formula C11H13NOS
Exact Mass 207.072 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01142402
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:35:49.681713
MetadataModified 2025-02-09T10:08:23.764801
MetadataPublished 2023-08-10
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4299-07-4 ACToR
CHEMBL5075467 ChEMBL
14797634 PubChem: Thomson Pharma
SCHEMBL203818 SureChEMBL
7PK26VAT4Q FDA SRS
9837171 PubChem
CB8854900 ChemicalBook
J1.535.178K Nikkaji
DTXSID2035649 EPA CompTox Dashboard
ZINC000033978730 ZINC
The data in this table is sourced from UniChem at EBI.