| Number |
qtl-m0218 |
| 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) |
303.1 |
| Product ions(Q3) |
153.1 |
| Main fragments |
153.1, 285.1, 229.0, 177.2, 137.1, 99.0 |
| Compound |
Quercetin |
| Identification |
standard |
| class |
Flavonoid |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:57694 |
| Agricola Citation Links |
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| ArrayExpress Database Links |
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| BRAND Names |
|
| Beilstein Registry Numbers |
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| BioModels Database Links |
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| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
quercetin-7-olate;; |
| Charge |
-1;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
Conjugate base of quercetin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.;; |
| DrugBank Database Links |
|
| Formulae |
C15H9O7;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4-chromen-7-olate;; |
| InChI |
InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H/p-1;; |
| InChIKey |
REFJWTPEDVJJIY-UHFFFAOYSA-M;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 3.2.1.66;;EC 2.8.2.25;;EC 2.1.1.76;;EC 1.13.11.24;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
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| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
11 Apr 2014;; |
| Mass |
301.22830;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
99364875;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
RHEA:17673;;RHEA:17465;;RHEA:15381;;RHEA:13453;; |
| SABIO-RK Database Links |
|
| SMILES |
Oc1ccc(cc1O)-c1oc2cc([O-])cc(O)c2c(=O)c1O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
quercetin anion;;quercetin;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZWB4;;Q9ZR72;;Q9ZQG4;;Q9ZQ95;;Q9ZQ94;;Q9Z0U5;;Q9XGP7;;Q9XBR7;;Q9UUN9;;Q9SNB1;;Q9SEV0;;Q9SBQ8;;Q9S9P6;;Q9M1V2;;Q9LTH3;;Q9LTH2;;Q9LSY9;;Q9LSY4;;Q9LR73;;Q9LNI1;;Q9LNE6;;Q9LML7;;Q9LML6;;Q9LK73;;Q9LFK0;;Q9LFJ8;;Q9LDC0;;Q9KKY1;;Q9I4D3;;Q9I4C8;;Q9I163;;Q9HZ00; |
| ChEBI Image |
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