Dataset

1,2-Benzisothiazol-3(2H)-one

This MassBank record with Accession MSBNK-BAFG-CSL23111015872 contains the MS2 mass spectrum of 1,2-Benzisothiazol-3(2H)-one with the InChIkey DMSMPAJRVJJAGA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
SMILES	C1=CC=C2C(=C1)C(=O)NS2
InChI Key	DMSMPAJRVJJAGA-UHFFFAOYSA-N
Molecular Formula	C7H5NOS
Exact Mass	151.009 g/mol

Data and Resources

1,2-Benzisothiazol-3(2H)-oneHTML
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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111015872
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:08:44.681591
MetadataModified	2024-01-11T09:08:44.823584
MetadataPublished	2023-11-10

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
167099	ChEBI
CHEMBL297304	ChEMBL
1,2-BENZISOTHIAZOLINE-3-ONE	rxnorm
DTXSID5032523	EPA CompTox Dashboard
ZINC000002581983	ZINC
46658	BindingDB
J7.640F	Nikkaji
BZITHO	CCDC
MCULE-3257757873	Mcule
521541	eMolecules
30424246	eMolecules
SCHEMBL26078	SureChEMBL
15219248	PubChem: Thomson Pharma
HRA0F1A4R3	FDA SRS
101964-01-6	ACToR
10023846	NMRShiftDB
17520	PubChem
201997	Brenda
CB1496512	ChemicalBook
HMDB0034413	Human Metabolome Database
147375	Brenda
The data in this table is sourced from UniChem at EBI.