Dataset

2-Aminobenzothiazole

This MassBank record with Accession MSBNK-Antwerp_Univ-AN124403 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

2-AminobenzothiazoleHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN124403
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:32:40.465162
MetadataModified	2024-01-11T09:32:40.629208
MetadataPublished	2021-08-12

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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