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