| SpectraBase Spectrum ID |
FhliacaBEPl |
| Name |
Cer 22:1;2O/15:1;O(FA 19:1) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
871.799275480 u |
| Formula |
C56H105NO5 |
| InChI |
InChI=1S/C56H105NO5/c1-3-5-7-9-11-13-15-17-19-21-22-24-28-32-36-40-44-48-54(59)53(52-58)57-55(60)49-45-41-37-33-29-26-27-31-35-39-43-47-51-62-56(61)50-46-42-38-34-30-25-23-20-18-16-14-12-10-8-6-4-2/h20,23,27,31,44,48,53-54,58-59H,3-19,21-22,24-26,28-30,32-43,45-47,49-52H2,1-2H3,(H,57,60)/b23-20-,31-27-,48-44+ |
| InChIKey |
UVWWSDDGJYJKQH-YPDUNMSXNA-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 |
CCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCC\C=C/CCCCCOC(=O)CCCCCCC\C=C/CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
