| Number |
mr1156 |
| 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) |
8.90 |
| Precursor ions(Q1) |
153.1 |
| Product ions(Q3) |
135.0 |
| Main fragments |
135.0, 120.0, 105.0 |
| Compound |
2-Methoxybenzoic acid |
| Identification |
standard |
| class |
Ployphenol |
| Organism |
|
| Reference |
|
| CV(%) |
213.01 |
| H2 |
0.53 |
| ChEBI_ID |
CHEBI:421840 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
509929;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
579-75-9;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
O-methylsalicylic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A methoxybenzoic acid that is the methyl ether of salicylic acid.;; |
| DrugBank Database Links |
|
| Formulae |
C8H8O3;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
2-methoxybenzoic acid;; |
| InChI |
InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10);; |
| InChIKey |
ILUJQPXNXACGAN-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 |
22 Jun 2016;; |
| Mass |
152.14730;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
85612719;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9252874;;3425858;;19812218;;1650428;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
6947;;12498;; |
| SMILES |
COc1ccccc1C(O)=O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
ortho-methoxybenzoic acid;;o-anisic acid;;o-Methoxybenzoic acid;;Salicylic acid methyl ether;;O-Methylsalicylic acid;;O-Methoxy benzoic acid;;O-Anisic acid, 8CI;;FEMA 3943;;BENZOIC ACID,2-METHOXY;;2-Methoxy-benzoic acid;;2-Methoxy-Benzoic acid;;2-Anisic a |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
