1-Methylguanine

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Systematic / IUPAC Name: 2-Amino-1-methyl-1,9-dihydro-6H-purin-6-one

ID: Reference104

Other Names: 6H-Purin-6-one, 2-amino-1,9-dihydro-1-methyl-;
2-Amino-1,7-dihydro-1-methyl-6H-purin-6-one;
2-Amino-1-methyl-6,7-dihydro-1H-purin-6-one;
2-Amino-1-methyl-7H-purin-6-one;
2-Amino-6-hydroxy-1-methylpurine ; more

Formula: C6H7N5O

Class: Endogenous Metabolites

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 303
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 11/4/2014 12:29:44 PM
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Identificators

InChI InChI=1S/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9)
InChI Key RFLVMTUMFYRZCB-UHFFFAOYSA-N
Canonical SMILES O=C2c1c(ncn1)\N=C(/N2C)N
CAS 938852
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Other Names 6H-Purin-6-one, 2-amino-1,9-dihydro-1-methyl-;
2-Amino-1,7-dihydro-1-methyl-6H-purin-6-one;
2-Amino-1-methyl-6,7-dihydro-1H-purin-6-one;
2-Amino-1-methyl-7H-purin-6-one;
2-Amino-6-hydroxy-1-methylpurine;
Guanine, 1-methyl-;
Guanine, N'-methyl-

In Other Databases

HMDb HMDB03282; HMDB03282
PubChem 70315
ChemIDPlus 000938852
ChEMBL CHEMBL2396855
Wikipedia 1-Methylguanin (DE)
ChEBI CHEBI:21803
ChemSpider 63498