| SpectraBase Spectrum ID |
CEQ4mKHd2lJ |
| Name |
Cer 27:2;3O/28:1 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
843.804360861 u |
| Formula |
C55H105NO4 |
| InChI |
InChI=1S/C55H105NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-32-34-36-38-40-42-44-46-48-50-54(59)56-52(51-57)55(60)53(58)49-47-45-43-41-39-37-35-33-31-29-24-22-20-18-16-14-12-10-8-6-4-2/h27-28,33,35,41,43,52-53,55,57-58,60H,3-26,29-32,34,36-40,42,44-51H2,1-2H3,(H,56,59)/b28-27-,35-33+,43-41+ |
| InChIKey |
URYZPRPRMIDPFK-SWGAFCQENA-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 |
CCCCCCCCCCCCCC\C=C/CCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCC\C=C\CC\C=C\CCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
