Dataset

Pyrimethamine

This MassBank record with Accession MSBNK-Fiocruz-FIO00289 contains the MS2 mass spectrum of Pyrimethamine with the InChIkey WKSAUQYGYAYLPV-UHFFFAOYSA-N.

Chemical Info

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-FIO00289
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MetadataCreated 2024-01-11T16:43:13.359450
MetadataModified 2025-02-09T13:01:52.337345
MetadataPublished 2016-01-19
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