3-Methyladenine

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Systematic / IUPAC Name: 3-Methyl-3-hydropurine-6-ylamine

ID: Reference1739

Other Names: 3-Methyl-3H-purin-6-amine;
6-Amino-3-methylpurine;
3H-Purin-6-amine, 3-methyl-;
3-Methyl-3H-adenine;
Adenine, 3-methyl-

Formula: C6H7N5

Class: Endogenous Metabolites

Spectral Data

3-Methyladenine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 73
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/1/2014 5:13:11 PM
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Identificators

InChI InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3
InChI Key FSASIHFSFGAIJM-UHFFFAOYSA-N
Canonical SMILES CN1C=NC(=C2C1=NC=N2)N
CAS 5142234
Splash
Other Names 3-Methyl-3H-purin-6-amine;
6-Amino-3-methylpurine;
3H-Purin-6-amine, 3-methyl-;
3-Methyl-3H-adenine;
Adenine, 3-methyl-

In Other Databases

ChEBI CHEBI:38635
ChEMBL CHEMBL292268
ChemIDPlus 005142234
ChemSpider 1610
KEGG C00913
PubChem 1673
HMDb HMDB11600