| SpectraBase Spectrum ID |
2spyUaXcCB8 |
| Name |
Cer 24:1;2O/36:1;O(FA 14:0) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1126.096626704 u |
| Formula |
C74H143NO5 |
| InChI |
InChI=1S/C74H143NO5/c1-3-5-7-9-11-13-15-16-17-18-34-37-40-43-47-50-54-58-62-66-72(77)71(70-76)75-73(78)67-63-59-55-51-48-44-41-38-35-32-30-28-26-24-22-20-19-21-23-25-27-29-31-33-36-39-42-45-49-53-57-61-65-69-80-74(79)68-64-60-56-52-46-14-12-10-8-6-4-2/h23,25,62,66,71-72,76-77H,3-22,24,26-61,63-65,67-70H2,1-2H3,(H,75,78)/b25-23-,66-62+ |
| InChIKey |
VJIHEWDUXMBOAG-SBTAVPECNA-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 |
CCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCC\C=C/CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
