Dataset

Triamterene; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA000616 contains the MS mass spectrum of Triamterene with the InChIkey FNYLWPVRPXGIIP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
SMILES Nc(n3)nc(n1)c(c(N)3)nc(c(c2)cccc2)c(N)1
InChI Key FNYLWPVRPXGIIP-UHFFFAOYSA-N
Molecular Formula C12H11N7
Exact Mass 253.108 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-Waters-WA000616
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 6-phenylpteridine-2,4,7-triamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00384 drugbank
    DX2 rcsb_pdb
    CHEMBL585 chembl
    29531410 surechembl
    40707 surechembl
    5546 pubchem
    WS821Z52LQ fdasrs
    DX2 pdbe
    4329 gtopdb
    PD002107 probes_and_drugs
    FITZAJ CCDC
    27748 brenda
    45956 brenda
    CHEBI:9671 chebi
    HMDB0001940 hmdb
    DTXSID6021373 comptox
    NCT00000525 clinicaltrials
    NCT00000620 clinicaltrials
    NCT02522650 clinicaltrials
    Molport-001-641-070 molport
    2728 drugcentral
    6644 bindingdb
    The data in this table is sourced from UniChem at EBI.