| Number |
qtl-m0087 |
| Declustering Potential(DP) |
50 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
219.1 |
| Product ions(Q3) |
174.2 |
| Main fragments |
174.2, 201.2, 189.2, 157.2, 115.1, 99.0 |
| Compound |
5-Methoxy-N, N-dimethyltryptamine |
| Identification |
putative |
| class |
Others |
| Organism |
|
| Reference |
Pachter IJ et. al (1959) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:2086 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
164771;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
1019-45-0;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
5-methoxy-N,N-dimethyltryptamine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A tryptamine alkaloid that is N,N-dimethyltryptamine substituted by a methoxy group at position 5.;; |
| DrugBank Database Links |
|
| Formulae |
C13H18N2O;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine;; |
| InChI |
InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3;; |
| InChIKey |
ZSTKHSQDNIGFLM-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C08309 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
23 Oct 2015;; |
| Mass |
218.29480;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2005039546;; |
| PubChem Database Links |
46530517;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
6144308;;25446678;;24650558;;11763413;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
COc1ccc2[nH]cc(CCN(C)C)c2c1;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
methoxybufotenin;;[2-(5-methoxy-1H-indol-3-yl)ethyl]dimethylamine;;O-methylbufotenine;;O-Methylbufotenine;;N,N-dimethyl-5-methoxytryptamine;;N,N-Dimethyl-5-methoxy tryptamine;;Methylbufotenine;;Methoxybufotenin;;MeODMT;;Indole, 3-(2-(N,N-dimethylamino)eth |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
