| SpectraBase Spectrum ID |
LbUfzeUZKMI |
| Name |
4,7,10,13,16-Docosapentaenoate (all-Z)- (8CI) |
| CAS Registry Number |
31930-67-3 |
| Classification |
Fatty esters; Fatty acid methyl esters |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
344.271530397 u |
| Formula |
C23H36O2 |
| InChI |
InChI=1S/C23H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h7-8,10-11,13-14,16-17,19-20H,3-6,9,12,15,18,21-22H2,1-2H3/b8-7-,11-10-,14-13-,17-16-,20-19- |
| InChIKey |
VQHJSIBYSWTMLS-NEUKSRIFSA-N |
| Molecular Weight |
344.539 g/mol |
| Number of Peaks |
255 |
| RI2 |
2362 |
| RI4 |
2439 |
| RI5 |
2111 |
| SMILES |
C(CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(=O)OC |
| SPLASH |
splash10-00mo-9600000000-b14ff4fceb74ed4ae6dc |
| Sample Comments |
RI1: measured on Equity-1 (Alkanes)
RI2: measured on Supelcowax-10 (FAMEs)
RI3: measured on Supelcowax-10 (FAEEs)
RI4: measured on SLB-5ms (Alkanes)
RI5: measured on SLB-5ms (FAMEs) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
4,7,10,13,16-Docosapentaenoic acid, methyl ester, (4Z,7Z,10Z,13Z,16Z)-
Me. C22:5n7 |
| Wiley ID |
LM_LIPIDS2016_200 |
