Dataset

2-Hydroxybenzothiazole; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU405901 contains the MS2 mass spectrum of 2-Hydroxybenzothiazole with the InChIkey YEDUAINPPJYDJZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
SMILES c1ccc2c(c1)nc(s2)O
InChI Key YEDUAINPPJYDJZ-UHFFFAOYSA-N
Molecular Formula C7H5NOS
Exact Mass 151.009 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-Athens_Univ-AU405901
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Maintainer
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MetadataPublished 2016-02-22
Related Molecule
  • 3H-1,3-benzothiazol-2-one
    • 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.