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Abacavir-M (N-dealkyl-) AC
SpectraBase Compound ID E5x48oqqARI
InChI InChI=1S/C10H12N6O/c1-5(17)13-10-15-8-7(11-4-12-8)9(16-10)14-6-2-3-6/h4,6H,2-3H2,1H3,(H3,11,12,13,14,15,16,17)
InChIKey XTJIWCWTXNLEDG-UHFFFAOYSA-N
Mol Weight 232.25 g/mol
Molecular Formula C10H12N6O
Exact Mass 232.107259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FJJHqFplOB
Name Abacavir-M (N-dealkyl-) AC
Classification Virustatic
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Exact Mass 232.107259029 u
Formula C10H12N6O
InChI InChI=1S/C10H12N6O/c1-5(17)13-10-15-8-7(11-4-12-8)9(16-10)14-6-2-3-6/h4,6H,2-3H2,1H3,(H3,11,12,13,14,15,16,17)
InChIKey XTJIWCWTXNLEDG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 232.247 g/mol
SMILES CC(Nc1nc(NC2CC2)c2nc[nH]c2n1)=O
SPLASH splash10-00c1-2900000000-e769d1d4121f1227cd9a
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_7960