Dataset

Sildenafil; LC-ESI-Q; MS; POS; 15 V, 30 V

This MassBank record with Accession MSBNK-Waters-WA002489 contains the MS mass spectrum of Sildenafil with the InChIkey BNRNXUUZRGQAQC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
SMILES CCOc(c4)c(cc(c4)S(=O)(=O)N(C3)CCN(C)C3)C(N1)=Nc(c(CCC)2)c(n(C)n2)C(=O)1
InChI Key BNRNXUUZRGQAQC-UHFFFAOYSA-N
Molecular Formula C22H30N6O4S
Exact Mass 474.205 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-WA002489
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00203 drugbank
    VIA rcsb_pdb
    CHEMBL192 chembl
    1895 surechembl
    29361663 surechembl
    492566 surechembl
    8100377 surechembl
    135398744 pubchem
    3M7OB98Y7H fdasrs
    VIA pdbe
    4743 gtopdb
    PD003443 probes_and_drugs
    QEGTUT CCDC
    117589 brenda
    615 brenda
    CHEBI:9139 chebi
    HMDB0005039 hmdb
    DTXSID6023579 comptox
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    2441 drugcentral
    14390 bindingdb
    50238854 bindingdb
    The data in this table is sourced from UniChem at EBI.