| Number |
qtl-m0024 |
| Declustering Potential(DP) |
40 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
141.0545 |
| Exact mass(Da) |
141.0546 |
| Accurate mass error(ppm) |
0.86 |
| Molecular formula |
C7H8O3 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
141.1 |
| Product ions(Q3) |
95.2 |
| Main fragments |
95.2, 123.1, 93.1, 67.1 |
| Compound |
Gentisyl alcohol |
| Identification |
putative |
| class |
Alcohols |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:5325 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
495-08-9;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
Gentisyl alcohol;; |
| Charge |
|
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C7H8O3;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
|
| InChI |
InChI=1S/C7H8O3/c8-4-5-3-6(9)1-2-7(5)10/h1-3,8-10H,4H2;; |
| InChIKey |
PUZSUVGRVHEUQO-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C10792 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
28 Jul 2014;; |
| Mass |
|
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
223439808;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
OCc1cc(O)ccc1O;; |
| Secondary ChEBI ID |
|
| Star |
2;; |
| Synonyms |
Gentisyl alcohol;;2,5-Dihydroxybenzyl alcohol;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
