Dataset

Abacavir; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01100103 contains the MS2 mass spectrum of Abacavir with the InChIkey MCGSCOLBFJQGHM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)
SMILES C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO
InChI Key MCGSCOLBFJQGHM-UHFFFAOYSA-N
Molecular Formula C14H18N6O
Exact Mass 286.154 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-EQ01100103
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MetadataPublished 2024-05-08
Related Molecule
  • [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL300576 chembl
    464832 surechembl
    1971 pubchem
    11152 gtopdb
    PD055386 probes_and_drugs
    HMDB0251820 hmdb
    The data in this table is sourced from UniChem at EBI.