Dataset

2-Aminobenzothiazole

This MassBank record with Accession MSBNK-Antwerp_Univ-AN124405 contains the MS2 mass spectrum of 2-Aminobenzothiazole with the InChIkey UHGULLIUJBCTEF-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
SMILES	C1=CC=C2C(=C1)N=C(S2)N
InChI Key	UHGULLIUJBCTEF-UHFFFAOYSA-N
Molecular Formula	C7H6N2S
Exact Mass	150.025 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN124405
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:32:15.784519
MetadataModified	2024-01-11T09:32:15.938714
MetadataPublished	2021-08-12

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL329785	ChEMBL
ABV	PDBe
476575	eMolecules
CB7753578	ChemicalBook
ZINC000006476824	ZINC
DTXSID1024467	EPA CompTox Dashboard
167751	ChEBI
50335100	BindingDB
8706	PubChem
15219233	PubChem: Thomson Pharma
PD055593	ProbesDrugs
08K5TLY3EQ	FDA SRS
136-95-8	ACToR
120045-46-7	ACToR
SCHEMBL75245	SureChEMBL
15922578	PubChem: Thomson Pharma
J37.321D	Nikkaji
HMDB0245009	Human Metabolome Database
MCULE-2707577485	Mcule
CAJWUG	CCDC
10023607	NMRShiftDB
The data in this table is sourced from UniChem at EBI.