Dataset

Abacavir 5`-carboxylate; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01153609 contains the MS2 mass spectrum of Abacavir 5`-carboxylate 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=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)C(=O)O
InChI Key OCSMNHMMTKMVCP-UHFFFAOYSA-N
Molecular Formula C14H16N6O2
Exact Mass 300.133 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-Eawag-EQ01153609
Version
Author
Maintainer
Language
MetadataPublished 2024-05-08
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.