| SpectraBase Spectrum ID |
712u5aof9u0 |
| Name |
Cer 24:1;2O/12:1;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 |
789.721025158 u |
| Formula |
C50H95NO5 |
| InChI |
InChI=1S/C50H95NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-30-34-38-42-48(53)47(46-52)51-49(54)43-39-35-31-27-25-29-33-37-41-45-56-50(55)44-40-36-32-28-23-14-12-10-8-6-4-2/h27,31,38,42,47-48,52-53H,3-26,28-30,32-37,39-41,43-46H2,1-2H3,(H,51,54)/b31-27-,42-38+ |
| InChIKey |
MUWWUSLWECHHDI-PTVICWLUNA-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)CCC\C=C/CCCCCCOC(=O)CCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
