SpectraBase Spectrum ID |
6BEH9V2CyFB |
Name |
FAHFA 20:5/6:0 |
Classification |
Fatty acyls [FA] |
Comments |
Fatty acid ester of hydroxyl fatty acid |
Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
416.292659764 u |
Formula |
C26H40O4 |
InChI |
InChI=1S/C26H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26(29)30-24(2)21-20-22-25(27)28/h4-5,7-8,10-11,13-14,16-17,24H,3,6,9,12,15,18-23H2,1-2H3,(H,27,28)/b5-4-,8-7-,11-10-,14-13-,17-16- |
InChIKey |
ZSXSUDMEHYSPQF-JEBPEJKENA-N |
Ion Polarity |
N |
Literature Reference |
Tsugawa, H.; Ikeda, K.; Takahashi, M.; Satoh, A.; Mori, Y.; Uchino, H.; Okahashi, N.; Yamada, Y.; Tada, I.; Bonini, P.; Higashi, Y.; Okazaki, Y.; Zhou, Z.; Zhu, Z.-J.; Koelmel, J.; Cajka, T.; Fiehn, O.; Saito, K.; Arita, M.; Arita, M. A Lipidome Atlas in MS-DIAL 4. Nature Biotechnology 2020, 38 (10), 1159–1163. |
Literature Reference DOI |
https://doi.org/10.1038/s41587-020-0531-2 |
Precursor Ion |
[M-H]- |
SMILES |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(C)CCCC(O)=O |
Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |