| SpectraBase Spectrum ID |
mSDaCx500 |
| Name |
Eicosa-(5Z,8Z,11Z)-trienoate |
| CAS Registry Number |
14602-39-2 |
| 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 |
320.271530397 u |
| Formula |
C21H36O2 |
| InChI |
InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11,13-14,16-17H,3-9,12,15,18-20H2,1-2H3/b11-10-,14-13-,17-16- |
| InChIKey |
AESHPAQQBZWZMS-NWFXIAEYSA-N |
| Molecular Weight |
320.517 g/mol |
| Number of Peaks |
50 |
| RI2 |
2055 |
| RI4 |
2269 |
| SMILES |
C(CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(=O)OC |
| SPLASH |
splash10-000x-9100000000-400dba0aab2565ee7416 |
| 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 |
5,8,11-Eicosatrienoic acid, methyl ester, (5Z,8Z,11Z)
Me. C20:3n9 |
| Wiley ID |
LM_LIPIDS2016_76 |
