Purine

enlarge

Systematic / IUPAC Name: Purine

ID: Reference566

Other Names: 3,5,7-Triazaindole;
Imidazopyrimidine;
Imidazo[4,5-d]pyrimidine

Formula: C5H4N4

Class: Endogenous Metabolites

Spectral Data

Purine 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; Q Exactive Orbitrap
No. of Spectral Trees 8
No. of Spectra 797
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI; NSI
Analyzers FT
Last Modification 2/6/2015 12:53:34 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
InChI Key KDCGOANMDULRCW-UHFFFAOYSA-N
Canonical SMILES C1=C2C(=NC=N2)N=CN1
CAS 120730
Splash
Other Names 3,5,7-Triazaindole;
Imidazopyrimidine;
Imidazo[4,5-d]pyrimidine

In Other Databases

Wikipedia Purine
KEGG C00465; C15587
PubChem 1044
ChemIDPlus 000120730
ChemSpider 1015
ChEBI CHEBI:17258; CHEBI:35586; CHEBI:35588; CHEBI:35589
HMDb HMDB01366
ChEMBL CHEMBL302239