Agmatine

enlarge

Systematic / IUPAC Name: 2-(4-Aminobutyl)guanidine

ID: Reference303

Other Names: (4-Aminobutyl)guanidine;
1-(4-Aminobutyl)guanidine;
N-4-Aminobutylguanidine;
1-Amino-4-guanidobutane;
Guanidine, (4-aminobutyl)- ; more

Formula: C5H14N4

Class: Endogenous Metabolites

Spectral Data

Agmatine 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 1
No. of Spectra 107
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 12/11/2014 1:54:23 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
InChI Key QYPPJABKJHAVHS-UHFFFAOYSA-N
Canonical SMILES C(CCNC(=N)N)CN
CAS 306605
Splash
Other Names (4-Aminobutyl)guanidine;
1-(4-Aminobutyl)guanidine;
N-4-Aminobutylguanidine;
1-Amino-4-guanidobutane;
Guanidine, (4-aminobutyl)-;
N-(4-Aminobutyl)guanidine;
1,4-Butanediamine, N-(aminoiminomethyl)-;
1-Amino-4-guanidinobutane;
N-(Aminoiminomethyl)-1,4-butanediamine;
4-Guanidino-1-butanamine

In Other Databases

Wikipedia Agmatine
HMDb HMDB01432; HMDB01432; HMDB60259
ChEMBL CHEMBL58343
KEGG C00179
ChEBI CHEBI:17431
PubChem 199
ChemSpider 194
ChemIDPlus 000306605; 002482000