| SpectraBase Spectrum ID |
5mnCSJuUx9r |
| Name |
Brassidate |
| CAS Registry Number |
7439-44-3 |
| 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 |
352.334130655 u |
| Formula |
C23H44O2 |
| InChI |
InChI=1S/C23H44O2/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/h10-11H,3-9,12-22H2,1-2H3/b11-10+ |
| InChIKey |
ZYNDJIBBPLNPOW-ZHACJKMWSA-N |
| Molecular Weight |
352.603 g/mol |
| Number of Peaks |
289 |
| RI2 |
2239 |
| RI4 |
2510 |
| RI5 |
2179 |
| SMILES |
C(CCCCCCCCCCC\C=C\CCCCCCCC)(=O)OC |
| SPLASH |
splash10-05mn-9310000000-d4f77c71ba2ab12a18f8 |
| 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 |
13-Docosenoic acid, methyl ester, (13E)-
Me. C22:1n10 |
| Wiley ID |
LM_LIPIDS2016_197 |
