LBF21503HO02
From Metabolomics.JP
Upper classes
IDs and Links | |
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LipidBank | DFA8098 |
LipidMaps | LMFA03070015 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | LBF21503HO02.mol |
Structural Information | |
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Systematic Name | Methyl 8-Hydroperoxy-5,9,11,14,17-Icosapentaenoate |
Common Name | |
Symbol | |
Formula | C21H32O4 |
Exact Mass | 348.23005951199997 |
Average Mass | 348.47637999999995 |
SMILES | C(CC=CCC=CC=CC(OO)CC=CCCCC(OC)=O)=CCC |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | |
Spectral Information | |
Mass Spectra | GC-EI-MS(after reduction and TMS-derivatization)<<8109>>: m/e=404[M]; 389[M-CH3] 314[M-HOTMS], GC-EI-MS(Me-ester: after reduction, hydrogenation and TMS-derivatization)<<8109>>: m/e=399[M-CH3]; 383[M-OCH3]; 367[399-CH3OH]; 271[SMTO=CH(CH2)11CH3] |
UV Spectra | conjugated diene: lmax=235.5nm <<8109>> |
IR Spectra | OOH group: 3400cm-1 <<8109>> |
NMR Spectra | 1H-NMR<<8109>>: OOH proton: 8.5ppm |
Chromatograms |