Number |
mr1288 |
Declustering Potential(DP) |
50 |
Collision Energy(CE) |
30 |
Observed mass(Da) |
291.1954 |
Exact mass(Da) |
291.1955 |
Accurate mass error(ppm) |
0.25 |
Molecular formula |
C18H26O3 |
Ionization model |
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Ret. Time(min) |
13.40 |
Precursor ions(Q1) |
291.1954 |
Product ions(Q3) |
109.1 |
Main fragments |
109.1, 149.1, 131.1, 81.1 |
Compound |
9,17-Octadecadiene-12,14-diyne-1,11,16-triol |
Identification |
putative |
class |
Fatty acid |
Organism |
Heracleum candicans WALL |
Reference |
Nakamori et. al (2008) |
CV(%) |
107.00 |
H2 |
0.48 |
ChEBI_ID |
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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 |
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Charge |
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Chinese Abstracts Citation Links |
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CiteXplore Citation Links |
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Definition |
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DrugBank Database Links |
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Formulae |
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Gmelin Registry Numbers |
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INN |
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IUPAC Names |
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InChI |
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InChIKey |
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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 |
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Mass |
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MolBase Database Links |
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PDBeChem Database Links |
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Patent Database Links |
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PubChem Database Links |
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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 |
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Secondary ChEBI ID |
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Star |
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Synonyms |
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UM-BBD compID Database Links |
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UniProt Database Links |
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ChEBI Image |
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