| SpectraBase Spectrum ID |
3YpJENtQ7c0 |
| Name |
Cer 25:1;2O/22:1;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
733.694810410 u |
| Formula |
C47H91NO4 |
| InChI |
InChI=1S/C47H91NO4/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-45(50)44(43-49)48-47(52)46(51)42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h22,25,39,41,44-46,49-51H,3-21,23-24,26-38,40,42-43H2,1-2H3,(H,48,52)/b25-22-,41-39+ |
| InChIKey |
GPUOQIFIAUMJMD-KUVZJLBMNA-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 |
CCCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)C(O)CCCCCCCC\C=C/CCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
