| SpectraBase Spectrum ID |
59bwvyHHH2V |
| Name |
Cer 28:0;2O/12:0;O(FA 17:0) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
891.861875738 u |
| Formula |
C57H113NO5 |
| InChI |
InChI=1S/C57H113NO5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-33-37-41-45-49-55(60)54(53-59)58-56(61)50-46-42-38-34-32-36-40-44-48-52-63-57(62)51-47-43-39-35-31-29-18-16-14-12-10-8-6-4-2/h54-55,59-60H,3-53H2,1-2H3,(H,58,61) |
| InChIKey |
KHGIDKACTKHGJD-UHFFFAOYNA-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 |
CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
