LBF18203HP02: Difference between revisions

No edit summary
 
No edit summary
Line 5: Line 5:
|LipidMaps=LMFA01040042
|LipidMaps=LMFA01040042
|SysName=Methyl-10,12-Epidioxy-13-Hydroperoxy-8,15-Octadecadienoate
|SysName=Methyl-10,12-Epidioxy-13-Hydroperoxy-8,15-Octadecadienoate
|Mass Spectra=GC-EI-MS(after reduction(PH3P) and TMS-derivatization)<<8084>>: m/e=307[M-CH3- HOTMS]; 241[M-171]; 171[SMTO=CHCH2CH=CHCH2CH3], GC-EI-MS(after reduction, hydrogenation, and tms-derivatization)<<8084>>
|Mass Spectra=GC-EI-MS(after reduction(PH3P) and TMS-derivatization)[[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780}}]]: m/e=307[M-CH3- HOTMS]; 241[M-171]; 171[SMTO=CHCH2CH=CHCH2CH3], GC-EI-MS(after reduction, hydrogenation, and tms-derivatization)[[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780}}]]
|IR Spectra=OOH group: 3660-3150cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[bonded], 3520cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[free]; OLEFINIC PROTONS: 3020-3002cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>; isolated trans unsaturation: 960cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP><<8084>>
|IR Spectra=OOH group: 3660-3150cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[bonded], 3520cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[free]; OLEFINIC PROTONS: 3020-3002cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>; isolated trans unsaturation: 960cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780}}]]
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(105): C17[terminal methyl group attached ton the vinyl group]: 1.78ppm <<8084>>
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(105): C17[terminal methyl group attached ton the vinyl group]: 1.78ppm [[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780}}]]
}}
}}

Revision as of 00:00, 12 December 2008


Upper classes: LB LBF



GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
LBF18203HP02.png
Structural Information
Methyl-10,12-Epidioxy-13-Hydroperoxy-8,15-Octadecadienoate
Formula C19H32O6
Exact Mass 356.219888756
Average Mass 356.45378
SMILES C(O1)(CC(C=CCCCCCCC(=O)OC)O1)C(OO)CC=CCC
Physicochemical Information
Spectral Information
Mass Spectra GC-EI-MS(after reduction(PH3P) and TMS-derivatization) Neff_WE et al.: m/e=307[M-CH3- HOTMS]; 241[M-171]; 171[SMTO=CHCH2CH=CHCH2CH3], GC-EI-MS(after reduction, hydrogenation, and tms-derivatization) Neff_WE et al.
UV Spectra
IR Spectra OOH group: 3660-3150cm-1[bonded], 3520cm-1[free]; OLEFINIC PROTONS: 3020-3002cm-1; isolated trans unsaturation: 960cm-1 Neff_WE et al.
NMR Spectra 1H-NMR(105): C17[terminal methyl group attached ton the vinyl group]: 1.78ppm Neff_WE et al.
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18203HP02 See above. Frankel_EN 1984
n.a. LBF18203HP02 See above. Fujimoto_K et al. 1984
n.a. LBF18203HP02 See above. Neff_WE et al. 1982