| Number |
mr1324 |
| Declustering Potential(DP) |
60 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
3.58 |
| Precursor ions(Q1) |
121.1 |
| Product ions(Q3) |
104.1 |
| Main fragments |
104.1, 92.1, 78.1, 61.1 |
| Compound |
Benzamidine |
| Identification |
standard |
| class |
Ployphenol |
| Organism |
|
| Reference |
|
| CV(%) |
49.79 |
| H2 |
0.36 |
| ChEBI_ID |
CHEBI:41033 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
benzamidine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A carboxamidine that is benzene carrying an amidino group.;; |
| DrugBank Database Links |
DB03127;; |
| Formulae |
C7H9N2;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
|
| InChI |
InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9);; |
| InChIKey |
PXXJHWLDUBFPOL-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
13 Mar 2014;; |
| Mass |
120.15190;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2008135591;;WO2007089101;;WO2006131833;;WO2006091963;;WO2006050598;;WO2006014087;;WO2005117543;;WO2005007621;;US2008287509;;US2008249113;;US2007232572;;US2007208016;;US2007196272;;US2007178158;;US2006058370;;US2005080075;;US2005070575;;US2005038105;;US2 |
| PubChem Database Links |
26697320;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
7702868;;12036355;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
11788;; |
| SMILES |
NC(=N)c1ccccc1;; |
| Secondary ChEBI ID |
CHEBI:3022;;CHEBI:40917;;CHEBI:41025;; |
| Star |
3;; |
| Synonyms |
|
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9Y5Q5;;Q9QYZ9;;Q9PT41;;Q9PRM8;;Q94F30;;Q92876;;Q924N9;;Q91053;;Q8VZD4;;Q8VSL2;;Q8UVG0;;Q61759;;Q5FBW2;;Q2UVH8;;Q27081;;P86876;;P86834;;P86497;;P86330;;P85314;;P85157;;P85156;;P84476;;P83748;;P83433;;P82981;;P81824;;P18964;;P0DL29;;P0DL27;;P0DL26;;P0DJJ6; |
| ChEBI Image |
 |
| |
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