| Number |
qtl-m1191 |
| Declustering Potential(DP) |
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| Collision Energy(CE) |
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| Observed mass(Da) |
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| Exact mass(Da) |
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| Accurate mass error(ppm) |
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| Molecular formula |
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| Ionization model |
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| Ret. Time(min) |
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| Precursor ions(Q1) |
199.3 |
| Product ions(Q3) |
140 |
| Main fragments |
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| Compound |
Syringic acid |
| Identification |
putative |
| class |
Organic acid |
| Organism |
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| Reference |
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| CV(%) |
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| H2 |
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| ChEBI_ID |
CHEBI:68329 |
| Agricola Citation Links |
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| ArrayExpress Database Links |
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| BRAND Names |
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| Beilstein Registry Numbers |
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| BioModels Database Links |
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| CAS Registry Numbers |
530-57-4;; |
| COMe Database Links |
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| ChEBI ID |
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| ChEBI Name |
syringic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
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| CiteXplore Citation Links |
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| Definition |
A dimethoxybenzene that is 3,5-dimethyl ether derivative of gallic acid.;; |
| DrugBank Database Links |
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| Formulae |
C9H10O5;; |
| Gmelin Registry Numbers |
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| INN |
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| IUPAC Names |
4-hydroxy-3,5-dimethoxybenzoic acid;; |
| InChI |
InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12);; |
| InChIKey |
JMSVCTWVEWCHDZ-UHFFFAOYSA-N;; |
| IntAct Database Links |
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| IntEnz Database Links |
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| KEGG COMPOUND Database Links |
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| KEGG DRUG Database Links |
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| KEGG GLYCAN Database Links |
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| LIPID MAPS class Database Links |
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| LIPID MAPS instance Database Links |
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| Last Modified |
01 Jun 2016;; |
| Mass |
198.17270;; |
| MolBase Database Links |
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| PDBeChem Database Links |
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| Patent Database Links |
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| PubChem Database Links |
160711109;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
24010549;;21261296;;21192716;;18767860;;15545043;;12771321;; |
| RESID Database Links |
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| Reactome Database Links |
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| Rhea Database Links |
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| SABIO-RK Database Links |
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| SMILES |
COc1cc(cc(OC)c1O)C(O)=O;; |
| Secondary ChEBI ID |
CHEBI:9379;; |
| Star |
3;; |
| Synonyms |
Syringlicacid;;Gallic acid 3,5-dimethyl ether;;Cedar acid;;4-hydroxy-3,5-dimethoxybenzoic acid;;4-hydroxy-3,5-dimethoxy-benzoic acid;;4-Hydroxy-3,5-dimethylbenzoic acid;;4-Hydroxy-3,5-dimethylbenzoate;;3,5-Dimethyl-4-hydroxybenzoic acid;;3,5-Dimethyl-4-hy |
| UM-BBD compID Database Links |
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| UniProt Database Links |
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| ChEBI Image |
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