Dataset

Sulfurol; LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01074705 contains the MS2 mass spectrum of Sulfurol with the InChIkey BKAWJIRCKVUVED-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
SMILES CC1=C(SC=N1)CCO
InChI Key BKAWJIRCKVUVED-UHFFFAOYSA-N
Molecular Formula C6H9NOS
Exact Mass 143.040 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01074705
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MetadataPublished 2024-05-08
Related Molecule
  • 2-(4-methyl-1,3-thiazol-5-yl)ethanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02969 drugbank
    CHEBI:17957 chebi
    TZE rcsb_pdb
    CHEMBL1236482 chembl
    259480 surechembl
    1136 pubchem
    3XYV4I47I8 fdasrs
    PD007492 probes_and_drugs
    176767 brenda
    188723 brenda
    20033 brenda
    2587 brenda
    5914 brenda
    TZE - Ideal conformer pdbe
    HMDB0032985 hmdb
    Molport-001-761-367 molport
    50016817 bindingdb
    The data in this table is sourced from UniChem at EBI.