| Number |
qtl-m0279 |
| Declustering Potential(DP) |
50 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
331.1904 |
| Exact mass(Da) |
331.1904 |
| Accurate mass error(ppm) |
0.04 |
| Molecular formula |
C20H26O4 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
331.2 |
| Product ions(Q3) |
313.2 |
| Main fragments |
313.2, 285.3, 227.2, 211.2, 201.2, 159.2 |
| Compound |
Gibberellin A15 |
| Identification |
putative |
| class |
Terpene |
| Organism |
|
| Reference |
Nojiri et. al (1993) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:29590 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
BIOMD0000000422;; |
| CAS Registry Numbers |
88373-66-4;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
gibberellin A15;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C20H28O5;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
4a-(hydroxymethyl)-1beta-methyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid;;(1R,2S,3S,4R,8R,9R,12R)-8-(hydroxymethyl)-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid;; |
| InChI |
InChI=1S/C20H28O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h12-15,21H,1,3-10H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1;; |
| InChIKey |
TZGXVFYTKTWKCU-CXXOJBQZSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C11860 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
LMPR0104170017;; |
| Last Modified |
04 Aug 2014;; |
| Mass |
348.43332;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
8146557;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
5905;;5904;; |
| SMILES |
[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)(CCC[C@@]21CO)C(O)=O;; |
| Secondary ChEBI ID |
CHEBI:34774;; |
| Star |
3;; |
| Synonyms |
Gibberellin A15 open lactone;;GA15;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q3I411;;O04705;; |
| ChEBI Image |
 |
| |
|
