Dataset

Abacavir 5`-carboxylate

This MassBank record with Accession MSBNK-Eawag-EQ01153659 contains the MS2 mass spectrum of Abacavir 5`-carboxylate with the InChIkey OCSMNHMMTKMVCP-UHFFFAOYSA-N.

Chemical Info

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-EQ01153659
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:03:06.671561
MetadataModified 2025-02-09T10:03:06.832255
MetadataPublished 2024-05-08
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
76460731 PubChem
SCHEMBL23587683 SureChEMBL
PD117239 ProbesDrugs
The data in this table is sourced from UniChem at EBI.