| SpectraBase Spectrum ID |
4ZFzGSynS5m |
| Name |
Cer 23:1;2O/36:0;O(FA 21:2) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1208.174877026 u |
| Formula |
C80H153NO5 |
| InChI |
InChI=1S/C80H153NO5/c1-3-5-7-9-11-13-15-17-19-21-40-44-48-52-56-60-64-68-72-78(83)77(76-82)81-79(84)73-69-65-61-57-53-49-45-41-38-36-34-32-30-28-26-24-23-25-27-29-31-33-35-37-39-43-47-51-55-59-63-67-71-75-86-80(85)74-70-66-62-58-54-50-46-42-22-20-18-16-14-12-10-8-6-4-2/h14,16,20,22,68,72,77-78,82-83H,3-13,15,17-19,21,23-67,69-71,73-76H2,1-2H3,(H,81,84)/b16-14-,22-20-,72-68+ |
| InChIKey |
MAKKCDLFJGVCMF-DRNXIPIONA-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 |
CCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC\C=C/C\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
