Dataset

Pyrimethamine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00290 contains the MS2 mass spectrum of Pyrimethamine with the InChIkey WKSAUQYGYAYLPV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
SMILES CCc(n2)c(c(N)nc(N)2)c(c1)ccc(Cl)c1
InChI Key WKSAUQYGYAYLPV-UHFFFAOYSA-N
Molecular Formula C12H13ClN4
Exact Mass 248.083 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00290
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PYRIMETHAMINE rxnorm
    PYRIMETHAMINE DailyMed
    DARAPRIM clinicaltrials
    PYRIMETHAMINE clinicaltrials
    HY-18062 MedChemExpress
    239402 Brenda
    DTXSID9021217 EPA CompTox Dashboard
    2332 DrugCentral
    ZINC000000057464 ZINC
    4800 Guide to Pharmacology
    J4.589F Nikkaji
    MUFMAB CCDC
    18512 BindingDB
    DARAPRIM rxnorm
    DB00205 DrugBank
    C07391 KEGG Ligand
    22395175 PubChem: Drugs of the Future
    CHEMBL36 ChEMBL
    8673 ChEBI
    SAM002554921 NIH Clinical Collection
    CP6 PDBe
    4993 PubChem
    15221150 PubChem: Thomson Pharma
    Pyrimethamine Selleck
    PA451193 PharmGKB
    SCHEMBL25129 SureChEMBL
    58-14-0 ACToR
    LSM-3967 LINCS
    Z3614QOX8W FDA SRS
    PD001771 ProbesDrugs
    511729 eMolecules
    HMDB0014350 Human Metabolome Database
    CB8461315 ChemicalBook
    pyrimethamine DailyMed
    761 Brenda
    13930 Brenda
    The data in this table is sourced from UniChem at EBI.