Dataset

Arprinocid; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU108202 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-AU108202
Version
Author
Maintainer
Language
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
    41574 PubChem
    PD068669 ProbesDrugs
    182830 ChEBI
    15393533 PubChem: Thomson Pharma
    SCHEMBL126655 SureChEMBL
    55779-18-5 ACToR
    6A0XTA8ZUH FDA SRS
    2723465 eMolecules
    CHEMBL321993 ChEMBL
    J11.852D Nikkaji
    ZINC000000000969 ZINC
    CB6410975 ChemicalBook
    FIBGEC CCDC
    DTXSID3057773 EPA CompTox Dashboard
    22395280 PubChem: Drugs of the Future
    The data in this table is sourced from UniChem at EBI.