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 |
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Ret. Time(min) |
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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 |
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Reference |
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CV(%) |
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H2 |
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ChEBI_ID |
CHEBI:64907 |
Agricola Citation Links |
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ArrayExpress Database Links |
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BRAND Names |
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Beilstein Registry Numbers |
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BioModels Database Links |
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CAS Registry Numbers |
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COMe Database Links |
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ChEBI ID |
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ChEBI Name |
2-aminoicosane-1,3-diol;; |
Charge |
0;; |
Chinese Abstracts Citation Links |
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CiteXplore Citation Links |
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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 |
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Formulae |
C20H43NO2;; |
Gmelin Registry Numbers |
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INN |
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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 |
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IntEnz Database Links |
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KEGG COMPOUND Database Links |
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KEGG DRUG Database Links |
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KEGG GLYCAN Database Links |
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LIPID MAPS class Database Links |
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LIPID MAPS instance Database Links |
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Last Modified |
15 Apr 2016;; |
Mass |
329.56090;; |
MolBase Database Links |
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PDBeChem Database Links |
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Patent Database Links |
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PubChem Database Links |
136349335;; |
PubMed Central Citation Links |
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PubMed Citation Links |
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RESID Database Links |
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Reactome Database Links |
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Rhea Database Links |
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SABIO-RK Database Links |
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SMILES |
CCCCCCCCCCCCCCCCCC(O)C(N)CO;; |
Secondary ChEBI ID |
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Star |
3;; |
Synonyms |
2-aminoeicosane-1,3-diol;;2-amino-1,3-eicosanediol;; |
UM-BBD compID Database Links |
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UniProt Database Links |
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ChEBI Image |
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