Dataset

Pyrimethamine; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01074802 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 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-EQ01074802
Version
Author
Maintainer
Language
MetadataPublished 2024-06-14
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
    DB00205 drugbank
    CHEBI:8673 chebi
    CP6 rcsb_pdb
    CHEMBL36 chembl
    25129 surechembl
    29381161 surechembl
    4993 pubchem
    CP6 pdbe
    4800 gtopdb
    PD001771 probes_and_drugs
    MUFMAB CCDC
    13930 brenda
    239402 brenda
    761 brenda
    Z3614QOX8W fdasrs
    HMDB0014350 hmdb
    DTXSID9021217 comptox
    NCT00000643 clinicaltrials
    NCT00000727 clinicaltrials
    NCT00000727 clinicaltrials
    NCT00000794 clinicaltrials
    NCT00000966 clinicaltrials
    NCT00000973 clinicaltrials
    NCT00004317 clinicaltrials
    NCT00013689 clinicaltrials
    NCT00065390 clinicaltrials
    NCT00074841 clinicaltrials
    NCT00084240 clinicaltrials
    NCT00118807 clinicaltrials
    NCT00118807 clinicaltrials
    NCT00119132 clinicaltrials
    NCT00120809 clinicaltrials
    NCT00123552 clinicaltrials
    NCT00125489 clinicaltrials
    NCT00130065 clinicaltrials
    NCT00130065 clinicaltrials
    NCT00131235 clinicaltrials
    NCT00131235 clinicaltrials
    NCT00131703 clinicaltrials
    NCT00131716 clinicaltrials
    NCT00132548 clinicaltrials
    NCT00132561 clinicaltrials
    NCT00137553 clinicaltrials
    NCT00140361 clinicaltrials
    NCT00140361 clinicaltrials
    NCT00142207 clinicaltrials
    NCT00144352 clinicaltrials
    NCT00146718 clinicaltrials
    NCT00146731 clinicaltrials
    NCT00146783 clinicaltrials
    NCT00152204 clinicaltrials
    NCT00158561 clinicaltrials
    NCT00158574 clinicaltrials
    NCT00164255 clinicaltrials
    NCT00164255 clinicaltrials
    NCT00164710 clinicaltrials
    NCT00167739 clinicaltrials
    NCT00167843 clinicaltrials
    NCT00168948 clinicaltrials
    NCT00206739 clinicaltrials
    NCT00209794 clinicaltrials
    NCT00270530 clinicaltrials
    NCT00274235 clinicaltrials
    NCT00289250 clinicaltrials
    NCT00289250 clinicaltrials
    NCT00299247 clinicaltrials
    NCT00300404 clinicaltrials
    NCT00300404 clinicaltrials
    NCT00323622 clinicaltrials
    NCT00330902 clinicaltrials
    NCT00361114 clinicaltrials
    NCT00367081 clinicaltrials
    NCT00372294 clinicaltrials
    NCT00372632 clinicaltrials
    NCT00376155 clinicaltrials
    NCT00399074 clinicaltrials
    NCT00432367 clinicaltrials
    NCT00452907 clinicaltrials
    NCT00453856 clinicaltrials
    NCT00486694 clinicaltrials
    NCT00529620 clinicaltrials
    NCT00646126 clinicaltrials
    NCT00679744 clinicaltrials
    NCT00680732 clinicaltrials
    NCT00682578 clinicaltrials
    NCT00711906 clinicaltrials
    NCT00712374 clinicaltrials
    NCT00730366 clinicaltrials
    NCT00852371 clinicaltrials
    NCT00941785 clinicaltrials
    NCT00944840 clinicaltrials
    NCT00948896 clinicaltrials
    NCT00959517 clinicaltrials
    NCT00964691 clinicaltrials
    NCT01054651 clinicaltrials
    NCT01066663 clinicaltrials
    NCT01083667 clinicaltrials
    NCT01102686 clinicaltrials
    NCT01103063 clinicaltrials
    NCT01136850 clinicaltrials
    NCT01184911 clinicaltrials
    NCT01189448 clinicaltrials
    NCT01319448 clinicaltrials
    NCT01328990 clinicaltrials
    NCT01443130 clinicaltrials
    NCT01636895 clinicaltrials
    NCT01651416 clinicaltrials
    NCT01722539 clinicaltrials
    NCT01746199 clinicaltrials
    NCT01973933 clinicaltrials
    NCT02163447 clinicaltrials
    NCT02211729 clinicaltrials
    NCT02211729 clinicaltrials
    NCT02511054 clinicaltrials
    NCT02524444 clinicaltrials
    NCT02527005 clinicaltrials
    NCT02575755 clinicaltrials
    NCT02793622 clinicaltrials
    NCT02831023 clinicaltrials
    NCT02836002 clinicaltrials
    NCT02836002 clinicaltrials
    NCT02909712 clinicaltrials
    NCT03009526 clinicaltrials
    NCT03057990 clinicaltrials
    NCT03083847 clinicaltrials
    NCT03178643 clinicaltrials
    NCT03208179 clinicaltrials
    NCT03258762 clinicaltrials
    NCT03525730 clinicaltrials
    NCT03599596 clinicaltrials
    NCT03952650 clinicaltrials
    NCT04086719 clinicaltrials
    NCT04149106 clinicaltrials
    NCT04160026 clinicaltrials
    NCT04189744 clinicaltrials
    NCT04189744 clinicaltrials
    NCT04280692 clinicaltrials
    NCT04336189 clinicaltrials
    NCT04783051 clinicaltrials
    NCT04816461 clinicaltrials
    NCT05081089 clinicaltrials
    NCT05323721 clinicaltrials
    NCT05426434 clinicaltrials
    NCT05471544 clinicaltrials
    NCT05478954 clinicaltrials
    NCT05497063 clinicaltrials
    NCT05678348 clinicaltrials
    NCT05946642 clinicaltrials
    NCT05980156 clinicaltrials
    NCT06083688 clinicaltrials
    NCT06083688 clinicaltrials
    NCT06240520 clinicaltrials
    NCT06337253 clinicaltrials
    Molport-001-783-655 molport
    2332 drugcentral
    18512 bindingdb
    The data in this table is sourced from UniChem at EBI.