Dataset

2-Aminobenzothiazole; LC-ESI-QTOF; MS2; CE: 30eV; R=7000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-AN124406 contains the MS2 mass spectrum of 2-Aminobenzothiazole with the InChIkey UHGULLIUJBCTEF-UHFFFAOYSA-N.

Chemical Information

molecular Image
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

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN124406
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MetadataPublished 2021-08-12
Related Molecule
  • 1,3-benzothiazol-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL329785 ChEMBL
    ABV PDBe
    CB7753578 ChemicalBook
    CAJWUG CCDC
    HMDB0245009 Human Metabolome Database
    J37.321D Nikkaji
    DTXSID1024467 EPA CompTox Dashboard
    167751 ChEBI
    50335100 BindingDB
    ZINC000006476824 ZINC
    MCULE-2707577485 Mcule
    10023607 NMRShiftDB
    8706 PubChem
    15219233 PubChem: Thomson Pharma
    PD055593 ProbesDrugs
    15922578 PubChem: Thomson Pharma
    136-95-8 ACToR
    120045-46-7 ACToR
    SCHEMBL75245 SureChEMBL
    08K5TLY3EQ FDA SRS
    476575 eMolecules
    The data in this table is sourced from UniChem at EBI.