Dataset

Propylthiouracil; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU122402 contains the MS2 mass spectrum of Propylthiouracil with the InChIkey KNAHARQHSZJURB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)
SMILES CCCc1cc(nc(n1)S)O
InChI Key KNAHARQHSZJURB-UHFFFAOYSA-N
Molecular Formula C7H10N2OS
Exact Mass 170.051 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-AU122402
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Maintainer
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MetadataPublished 2016-02-21
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    Data-Source Molecule ID Data-Source
    DB00550 drugbank
    CHEBI:8502 chebi
    3CJ rcsb_pdb
    CHEMBL1518 chembl
    17375339 surechembl
    41239 surechembl
    4446870 surechembl
    4537771 surechembl
    657298 pubchem
    721M9407IY fdasrs
    6650 gtopdb
    PD001776 probes_and_drugs
    UXIXUV CCDC
    151046 brenda
    4773 brenda
    68962 brenda
    HMDB0014690 hmdb
    Molport-000-145-889 molport
    Molport-000-664-275 molport
    Molport-004-414-251 molport
    2308 drugcentral
    50133597 bindingdb
    The data in this table is sourced from UniChem at EBI.