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
Author
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
    SAM002554937 NIH Clinical Collection
    CHEMBL585 ChEMBL
    DX2 PDBe
    DB00384 DrugBank
    TRIAMTERENE rxnorm
    TRIAMTERENE clinicaltrials
    HY-B0575 MedChemExpress
    DTXSID6021373 EPA CompTox Dashboard
    2728 DrugCentral
    9671 ChEBI
    ZINC000000120286 ZINC
    4329 Guide to Pharmacology
    J2.040K Nikkaji
    FITZAJ CCDC
    6644 BindingDB
    TRIAMTERENE DailyMed
    DYRENIUM rxnorm
    CB0663775 ChemicalBook
    triamterene DailyMed
    HMDB0001940 Human Metabolome Database
    45956 Brenda
    27748 Brenda
    PA451752 PharmGKB
    MCULE-5832721534 Mcule
    14774401 PubChem: Thomson Pharma
    5546 PubChem
    PD002107 ProbesDrugs
    triamterene Atlas
    triamterene Selleck
    LSM-4060 LINCS
    SCHEMBL40707 SureChEMBL
    396-01-0 ACToR
    WS821Z52LQ FDA SRS
    594844 eMolecules
    The data in this table is sourced from UniChem at EBI.