Dataset

Pyrimethamine

This MassBank record with Accession MSBNK-Eawag-EQ01074803 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 CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01074803
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:46:45.366429
MetadataModified 2025-02-09T09:46:45.569223
MetadataPublished 2024-06-14
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.