| Number |
qtl-m1297 |
| 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) |
253.1 |
| Product ions(Q3) |
85 |
| Main fragments |
|
| Compound |
2,3-Butanediol |
| Identification |
putative |
| class |
|
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:62064 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
513-85-9;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
butane-2,3-diol;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A butanediol in which hydroxylation is at C-2 and C-3.;; |
| DrugBank Database Links |
|
| Formulae |
C4H10O2;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
butane-2,3-diol;; |
| InChI |
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3;; |
| InChIKey |
OWBTYPJTUOEWEK-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 |
23 Oct 2015;; |
| Mass |
90.12100;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
123058793;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9507988;;6139706;;2758593;;2542238;;2467061;;1877537;;1867644;;1854455;;16431145;;15910884;;15899506;;15464274;;15004229;;12871420;;12654475;;12477717;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
9565;;11991;;11975;; |
| SMILES |
CC(O)C(C)O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
Sym-dimethylethylene glycol;;Pseudobutylene glycol;;Dimethylethylene glycol;;Dimethylene glycol;;D-2,3-Butane diol;;Butane-2,3-diol;;2,3-Dihydroxybutane;;2,3-Butylene glycol;;2,3-Butanodiol;;2,3-Butanediol;;2,3-Butandiol;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q8CQD2;;Q6GKH9;;Q6GCZ8;;Q5HKG6;;Q5HJP2;;Q48436;;Q04520;;P99120;;P66776;;P66775;;P52666;;P52665;;P45511;;P39714;;P39713;; |
| ChEBI Image |
 |
| |
|
