| SpectraBase Spectrum ID |
KX5M2ZeIZNp |
| Name |
Cer 28:2;3O/28:1 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
857.820010925 u |
| Formula |
C56H107NO4 |
| InChI |
InChI=1S/C56H107NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-31-33-35-37-39-41-43-45-47-49-51-55(60)57-53(52-58)56(61)54(59)50-48-46-44-42-40-38-36-34-32-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h28-29,34,36,42,44,53-54,56,58-59,61H,3-27,30-33,35,37-41,43,45-52H2,1-2H3,(H,57,60)/b29-28-,36-34+,44-42+ |
| InChIKey |
DDEQBISZVJNCDY-ZSYGYUCXNA-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 |
CCCCCCCCCCCCCCC\C=C\CC\C=C\CCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
