Number |
mr1925 |
Declustering Potential(DP) |
60 |
Collision Energy(CE) |
30 |
Observed mass(Da) |
796.2662 |
Exact mass(Da) |
796.2659 |
Accurate mass error(ppm) |
0.44 |
Molecular formula |
C36H42O19 |
Ionization model |
NH4+ |
Ret. Time(min) |
9.67 |
Precursor ions(Q1) |
796.2662 |
Product ions(Q3) |
557.2 |
Main fragments |
557.2, 761.3, 187.0, 515.0 |
Compound |
Smiglaside A |
Identification |
putative |
class |
Ployphenol |
Organism |
Smilax china |
Reference |
Kuo et. al (2005) |
CV(%) |
518.34 |
H2 |
0.77 |
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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