| SpectraBase Spectrum ID |
9KpLeXyNcLO |
| Name |
Cer 14:0;2O/13:1;O(FA 22:0) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
777.721025158 u |
| Formula |
C49H95NO5 |
| InChI |
InChI=1S/C49H95NO5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-27-31-35-39-43-49(54)55-44-40-36-32-28-24-23-26-30-34-38-42-48(53)50-46(45-51)47(52)41-37-33-29-25-12-10-8-6-4-2/h24,28,46-47,51-52H,3-23,25-27,29-45H2,1-2H3,(H,50,53)/b28-24- |
| InChIKey |
XWKJWWAXOZYSNO-COOPMVRXNA-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 |
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC\C=C/CCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
