Dataset

2-Hydroxy benzothiazole

This MassBank record with Accession MSBNK-Antwerp_Univ-AN124327 contains the MS2 mass spectrum of 2-Hydroxy benzothiazole with the InChIkey YEDUAINPPJYDJZ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
SMILES	C1=CC=C2C(=C1)NC(=O)S2
InChI Key	YEDUAINPPJYDJZ-UHFFFAOYSA-N
Molecular Formula	C7H5NOS
Exact Mass	151.009 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-Antwerp_Univ-AN124327
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:40:53.430964
MetadataModified	2025-02-08T18:46:13.180357
MetadataPublished	2021-08-13

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL54329	SureChEMBL
10005935	NMRShiftDB
7T26K7NG46	FDA SRS
MCULE-7146680823	Mcule
117750	Brenda
CGD	PDBe
ZINC000000395576	ZINC
MTBLC115196	Metabolights
CB7854675	ChemicalBook
4464-59-9	ACToR
15922595	PubChem: Thomson Pharma
15486750	PubChem: Thomson Pharma
884638	eMolecules
505398	eMolecules
115196	ChEBI
CHEMBL276936	ChEMBL
13625	PubChem
WUHPUK	CCDC
J24.621B	Nikkaji
DTXSID6061315	EPA CompTox Dashboard
93696	BindingDB
HMDB0249030	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.