| Number |
qtl-m0980 |
| Declustering Potential(DP) |
10 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
161.1071 |
| Exact mass(Da) |
161.1073 |
| Accurate mass error(ppm) |
1.4 |
| Molecular formula |
C10H12N2 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
161.2 |
| Product ions(Q3) |
144.2 |
| Main fragments |
144.2, 102.1, 91.1 |
| Compound |
Tryptamine |
| Identification |
standard |
| class |
Amino acid |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:57887 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
tryptaminium;; |
| Charge |
+1;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
An ammonium ion that is the conjugate acid of tryptamine arising from protonation of the primary amino group; major species at pH 7.3.;; |
| DrugBank Database Links |
|
| Formulae |
C10H13N2;; |
| Gmelin Registry Numbers |
533978;; |
| INN |
|
| IUPAC Names |
2-(1H-indol-3-yl)ethanaminium;; |
| InChI |
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2/p+1;; |
| InChIKey |
APJYDQYYACXCRM-UHFFFAOYSA-O;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 4.3.3.2;;EC 4.1.1.28;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
03 Aug 2015;; |
| Mass |
161.22310;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
99437499;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
RHEA:30339;;RHEA:15013;; |
| SABIO-RK Database Links |
|
| SMILES |
[NH3+]CCc1c[nH]c2ccccc12;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
tryptaminium(1+);;tryptaminium cation;;tryptamine;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9SZY8;;Q9SVQ1;;Q96RJ0;;Q94521;;Q923Y9;;Q923Y8;;Q8VZ59;;Q8HZ64;;Q812C9;;Q5RFR7;;Q5QD29;;Q59118;;Q2KIQ5;;Q29495;;Q16613;;Q12447;;P94111;;P92976;;P80695;;P80041;;P68175;;P68174;;P54771;;P54770;;P54769;;P54768;;P49250;;P48861;;P48776;;P48775;;P44956;;P40936; |
| ChEBI Image |
 |
| |
|
