| Number |
qtl-m1221 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
213.2 |
| Product ions(Q3) |
79 |
| Main fragments |
|
| Compound |
Vanillactic acid |
| Identification |
putative |
| class |
|
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:88526 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
2475-56-1;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
Vanillactic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C10H12O5;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid;; |
| InChI |
InChI=1S/C10H12O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,8,11-12H,4H2,1H3,(H,13,14);; |
| InChIKey |
SVYIZYRTOYHQRE-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
|
| Mass |
212.200;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
|
| PubMed Central Citation Links |
|
| PubMed Citation Links |
8529065;;7914240;;7524950;;73430;;6085084;;3393388;;3180413;;24023812;;1939466;;16288991;;1281049;;12200739;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
C(C(O)CC=1C=C(C(=CC1)O)OC)(=O)O;; |
| Secondary ChEBI ID |
|
| Star |
2;; |
| Synonyms |
beta-(4-Hydroxy-3-methoxyphenyl)lactic acid;;beta-(4-Hydroxy-3-methoxyphenyl)lactate;;b-(4-Hydroxy-3-methoxyphenyl)lactic acid;;b-(4-Hydroxy-3-methoxyphenyl)lactate;;Vanillyllactic acid;;Vanillyllactate;;Vanillactate;;VLA;;4-Hydroxy-3-methoxyphenyllactic |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
