Dataset

Abacavir

This MassBank record with Accession MSBNK-Eawag-EQ01100107 contains the MS2 mass spectrum of Abacavir with the InChIkey MCGSCOLBFJQGHM-UHFFFAOYSA-N.

Chemical Info

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-EQ01100107
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:29:23.434563
MetadataModified 2025-02-09T09:29:23.602489
MetadataPublished 2024-05-08
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
56416995 PubChem: Thomson Pharma
SCHEMBL464832 SureChEMBL
PD055386 ProbesDrugs
1985278 eMolecules
HMDB0251820 Human Metabolome Database
CHEMBL300576 ChEMBL
J976.986B Nikkaji
1971 PubChem
The data in this table is sourced from UniChem at EBI.