| SpectraBase Spectrum ID |
1amycdiPgxQ |
| Name |
Cer 25:1;2O/16:2;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 |
857.783625416 u |
| Formula |
C55H103NO5 |
| InChI |
InChI=1S/C55H103NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-28-31-35-39-43-47-53(58)52(51-57)56-54(59)48-44-40-36-32-29-25-23-26-30-34-38-42-46-50-61-55(60)49-45-41-37-33-27-14-12-10-8-6-4-2/h25,29,36,40,43,47,52-53,57-58H,3-24,26-28,30-35,37-39,41-42,44-46,48-51H2,1-2H3,(H,56,59)/b29-25-,40-36-,47-43+ |
| InChIKey |
UXNBOJKWBMOGDD-KKOMXVLRNA-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+HCOO]- |
| SMILES |
CCCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CC\C=C/C\C=C/CCCCCCCCOC(=O)CCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
