Dataset

Propylthiouracil; LC-ESI-QTOF; MS2; CE: Ramp 18.8-28.1 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU238562 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 CCCC1=CC(=O)NC(=S)N1
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-AU238562
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MetadataPublished 2019-03-29
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    CB9777662 ChemicalBook
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    PD001776 ProbesDrugs
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    LSM-5592 LINCS
    SCHEMBL41239 SureChEMBL
    PA451156 PharmGKB
    Propylthiouracil Selleck
    14772576 PubChem: Thomson Pharma
    511717 eMolecules
    30151992 eMolecules
    711437 eMolecules
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    HY-B0346 MedChemExpress
    SCHEMBL17375339 SureChEMBL
    UXIXUV CCDC
    2308 DrugCentral
    50133597 BindingDB
    6650 Guide to Pharmacology
    J1.363C Nikkaji
    DTXSID5021209 EPA CompTox Dashboard
    DB00550 DrugBank
    C07569 KEGG Ligand
    CHEMBL1518 ChEMBL
    8502 ChEBI
    SAM002554926 NIH Clinical Collection
    The data in this table is sourced from UniChem at EBI.