Dataset

Arprinocid; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU108201 contains the MS2 mass spectrum of Arprinocid with the InChIkey NAPNOSFRRMHNBJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H9ClFN5/c13-8-2-1-3-9(14)7(8)4-19-6-18-10-11(15)16-5-17-12(10)19/h1-3,5-6H,4H2,(H2,15,16,17)
SMILES c1cc(c(c(c1)Cl)Cn2cnc3c2ncnc3N)F
InChI Key NAPNOSFRRMHNBJ-UHFFFAOYSA-N
Molecular Formula C12H9ClFN5
Exact Mass 277.053 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU108201
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MetadataPublished 2015-09-22
Related Molecule
  • 9-[(2-chloro-6-fluorophenyl)methyl]purin-6-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:182830 chebi
    CHEMBL321993 chembl
    126655 surechembl
    31025603 surechembl
    31379008 surechembl
    41574 pubchem
    6A0XTA8ZUH fdasrs
    DB20117 drugbank
    PD068669 probes_and_drugs
    FIBGEC CCDC
    Molport-003-666-716 molport
    The data in this table is sourced from UniChem at EBI.