Dataset

Pentamidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00450 contains the MS2 mass spectrum of Pentamidine with the InChIkey XDRYMKDFEDOLFX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
SMILES NC(=N)c(c1)ccc(OCCCCCOc(c2)ccc(C(N)=N)c2)c1
InChI Key XDRYMKDFEDOLFX-UHFFFAOYSA-N
Molecular Formula C19H24N4O2
Exact Mass 340.190 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-Fiocruz-FIO00450
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MetadataPublished 2016-01-19
Related Molecule
  • 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00738 drugbank
    CHEBI:45081 chebi
    PNT rcsb_pdb
    CHEMBL55 chembl
    3329 surechembl
    4735 pubchem
    673LC5J4LQ fdasrs
    PD010048 probes_and_drugs
    2216 brenda
    40234 brenda
    77153 brenda
    HMDB0014876 hmdb
    Molport-001-792-506 molport
    2090 drugcentral
    45440 bindingdb
    The data in this table is sourced from UniChem at EBI.