Dataset

Pyrithione; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01142507 contains the MS2 mass spectrum of Pyrithione with the InChIkey YBBJKCMMCRQZMA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H
SMILES C1=CC(=S)N(C=C1)O
InChI Key YBBJKCMMCRQZMA-UHFFFAOYSA-N
Molecular Formula C5H5NOS
Exact Mass 127.009 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-EQ01142507
Version
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Maintainer
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MetadataPublished 2023-08-10
Related Molecule
  • 1-hydroxypyridine-2-thione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:36578 chebi
    CHEMBL1650619 chembl
    24755 surechembl
    1570 pubchem
    PD074260 probes_and_drugs
    GIJCAD CCDC
    104235 brenda
    151185 brenda
    268447 brenda
    HMDB0256986 hmdb
    Molport-006-148-004 molport
    60985 bindingdb
    The data in this table is sourced from UniChem at EBI.