| Number |
qtl-m1085 |
| Declustering Potential(DP) |
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| Collision Energy(CE) |
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| Observed mass(Da) |
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| Exact mass(Da) |
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| Accurate mass error(ppm) |
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| Molecular formula |
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| Ionization model |
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| Ret. Time(min) |
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| Precursor ions(Q1) |
131.1 |
| Product ions(Q3) |
114.1 |
| Main fragments |
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| Compound |
Agmatine |
| Identification |
standard |
| class |
Polyamine |
| Organism |
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| Reference |
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| CV(%) |
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| H2 |
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| ChEBI_ID |
CHEBI:58145 |
| Agricola Citation Links |
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| ArrayExpress Database Links |
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| BRAND Names |
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| Beilstein Registry Numbers |
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| BioModels Database Links |
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| CAS Registry Numbers |
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| COMe Database Links |
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| ChEBI ID |
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| ChEBI Name |
agmatinium(2+);; |
| Charge |
+2;; |
| Chinese Abstracts Citation Links |
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| CiteXplore Citation Links |
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| Definition |
The dication resulting from deprotonation of the amino and guanidino groups of agmatine; major species at pH 7.3.;; |
| DrugBank Database Links |
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| Formulae |
C5H16N4;; |
| Gmelin Registry Numbers |
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| INN |
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| IUPAC Names |
{amino[(4-azaniumylbutyl)amino]methylidene}azanium;; |
| InChI |
InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)/p+2;; |
| InChIKey |
QYPPJABKJHAVHS-UHFFFAOYSA-P;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 6.3.4.22;;EC 4.1.1.19;;EC 3.5.3.20;;EC 3.5.3.12;;EC 3.5.3.11;;EC 3.5.1.40;;EC 2.7.3.10;;EC 2.5.1.104;;EC 2.3.1.64;; |
| KEGG COMPOUND Database Links |
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| KEGG DRUG Database Links |
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| KEGG GLYCAN Database Links |
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| LIPID MAPS class Database Links |
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| LIPID MAPS instance Database Links |
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| Last Modified |
29 Oct 2014;; |
| Mass |
132.20730;; |
| MolBase Database Links |
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| PDBeChem Database Links |
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| Patent Database Links |
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| PubChem Database Links |
103158434;; |
| PubMed Central Citation Links |
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| PubMed Citation Links |
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| RESID Database Links |
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| Reactome Database Links |
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| Rhea Database Links |
RHEA:43608;;RHEA:36487;;RHEA:29651;;RHEA:18037;;RHEA:17641;;RHEA:15953;;RHEA:15065;;RHEA:13929;;RHEA:13597;;RHEA:13405;; |
| SABIO-RK Database Links |
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| SMILES |
NC(=[NH2+])NCCCC[NH3+];; |
| Secondary ChEBI ID |
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| Star |
3;; |
| Synonyms |
agmatinium dication;;agmatinium;;agmatine;; |
| UM-BBD compID Database Links |
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| UniProt Database Links |
Q9Z6M8;;Q9Z6M7;;Q9YG22;;Q9XGI9;;Q9WZC2;;Q9V173;;Q9UWU1;;Q9SNN0;;Q9SI64;;Q9RXR4;;Q9RQJ2;;Q9R0W2;;Q9PK21;;Q9PK20;;Q9PH02;;Q9LYT1;;Q9KLD1;;Q9K9K5;;Q9K6B9;;Q9K0U3;;Q9JT25;;Q9I6J9;;Q9HUX1;;Q9HNQ0;;Q9HK30;;Q9FNP9;;Q9CL60;;Q9CEY6;;Q9CEY4;;Q9C0Y9;;Q9BSE5;;Q9BHM6; |
| ChEBI Image |
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