Dataset

Abacavir carboxylic acid; LC-ESI-QTOF; MS2; 20 V

This MassBank record with Accession MSBNK-BAFG-CSL2311107725 contains the MS2 mass spectrum of Abacavir carboxylic acid with the InChIkey OCSMNHMMTKMVCP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H16N6O2/c15-14-18-11(17-8-2-3-8)10-12(19-14)20(6-16-10)9-4-1-7(5-9)13(21)22/h1,4,6-9H,2-3,5H2,(H,21,22)(H3,15,17,18,19)
SMILES C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)C(=O)O)N
InChI Key OCSMNHMMTKMVCP-UHFFFAOYSA-N
Molecular Formula C14H16N6O2
Exact Mass 300.134 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311107725
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-ene-1-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    23587683 surechembl
    76460731 pubchem
    PD117239 probes_and_drugs
    The data in this table is sourced from UniChem at EBI.