| SpectraBase Spectrum ID |
JjdO7PPfTWN |
| Name |
2(E),7(Z),10(Z),13(Z),16(Z),19(Z)-Docosahexaenoate |
| CAS Registry Number |
875288-80-5 |
| 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 |
342.255880333 u |
| Formula |
C23H34O2 |
| InChI |
InChI=1S/C23H34O2/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/h4-5,7-8,10-11,13-14,16-17,21-22H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,22-21+ |
| InChIKey |
NPKXDTONVDDGOH-CXSAKVLUSA-N |
| Molecular Weight |
342.523 g/mol |
| Number of Peaks |
271 |
| RI2 |
2521 |
| RI4 |
2510 |
| RI5 |
2181 |
| SMILES |
C(\C=C\CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(=O)OC |
| SPLASH |
splash10-0693-9600000000-237563e5a00b5c4d9cc0 |
| 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 |
2,7,10,13,16,19-Docosahexaenoic acid, methyl ester, (2E,7Z,10Z,13Z,16Z,19Z)-
Me. C22:6n3 |
| Wiley ID |
LM_LIPIDS2016_225 |
