Dataset

Amprolium; LC-ESI-QTOF; MS2; 20 V

This MassBank record with Accession MSBNK-BAFG-CSL2311108271 contains the MS2 mass spectrum of Amprolium with the InChIkey IPZFPROOBOUEIG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H19N4/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17)/q+1
SMILES CCCC1=NC=C(C[N+]2=CC=CC=C2C)C(N)=N1
InChI Key IPZFPROOBOUEIG-UHFFFAOYSA-N
Molecular Formula [C14H19N4]+
Exact Mass 243.160 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311108271
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1179735 ChEMBL
    ZINC000000000934 ZINC
    50027794 BindingDB
    J215.777B Nikkaji
    AMPROLIUM rxnorm
    85266 ChEBI
    DTXSID9048140 EPA CompTox Dashboard
    AMPROLIUM ION rxnorm
    SCHEMBL363586 SureChEMBL
    LSM-6688 LINCS
    H2T307KMZR FDA SRS
    PD013111 ProbesDrugs
    13082-85-4 ACToR
    2178 PubChem
    1985496 eMolecules
    The data in this table is sourced from UniChem at EBI.