| SpectraBase Spectrum ID |
HY4Agu8lQKb |
| Name |
Cer 14:1;2O/16:1;O(FA 17:2) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
743.642774836 u |
| Formula |
C47H85NO5 |
| InChI |
InChI=1S/C47H85NO5/c1-3-5-7-9-11-13-14-15-18-21-25-29-33-37-41-47(52)53-42-38-34-30-26-22-19-16-17-20-24-28-32-36-40-46(51)48-44(43-49)45(50)39-35-31-27-23-12-10-8-6-4-2/h9,11,14-15,17,20,35,39,44-45,49-50H,3-8,10,12-13,16,18-19,21-34,36-38,40-43H2,1-2H3,(H,48,51)/b11-9-,15-14-,20-17-,39-35+ |
| InChIKey |
AYEBRZIGIQHDBW-DUOXFKONNA-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+CH3COO]- |
| SMILES |
CCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCC\C=C/CCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
