Detail Information

Number qtl-m0276
Declustering Potential(DP) 10
Collision Energy(CE) 30
Observed mass(Da) 330.3367
Exact mass(Da) 330.3367
Accurate mass error(ppm) 0.13
Molecular formula C20H43NO2
Ionization model
Ret. Time(min)
Precursor ions(Q1) 330.3
Product ions(Q3) 312.4
Main fragments 312.4, 286.4, 106.2, 88.2
Compound 2-Amino-1,3-eicosanediol
Identification putative
class Others
Organism
Reference
CV(%)
H2
ChEBI_ID CHEBI:64907
Agricola Citation Links
ArrayExpress Database Links
BRAND Names
Beilstein Registry Numbers
BioModels Database Links
CAS Registry Numbers
COMe Database Links
ChEBI ID
ChEBI Name 2-aminoicosane-1,3-diol;;
Charge 0;;
Chinese Abstracts Citation Links
CiteXplore Citation Links
Definition An aminodiol that is icosane bearing two hydroxy substituents at positions 1 and 3 as well as an amino substituent at position 2.;;
DrugBank Database Links
Formulae C20H43NO2;;
Gmelin Registry Numbers
INN
IUPAC Names 2-aminoicosane-1,3-diol;;
InChI InChI=1S/C20H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19-20,22-23H,2-18,21H2,1H3;;
InChIKey UFMHYBVQZSPWSS-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 15 Apr 2016;;
Mass 329.56090;;
MolBase Database Links
PDBeChem Database Links
Patent Database Links
PubChem Database Links 136349335;;
PubMed Central Citation Links
PubMed Citation Links
RESID Database Links
Reactome Database Links
Rhea Database Links
SABIO-RK Database Links
SMILES CCCCCCCCCCCCCCCCCC(O)C(N)CO;;
Secondary ChEBI ID
Star 3;;
Synonyms 2-aminoeicosane-1,3-diol;;2-amino-1,3-eicosanediol;;
UM-BBD compID Database Links
UniProt Database Links
ChEBI Image