Dataset

Pyrimethamine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00291 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

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DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00291
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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
    No additional information available for this Dataset.