| SpectraBase Spectrum ID |
JGYU9Oqlnf6 |
| Name |
Cer 24:2;2O/40:2;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
967.929561376 u |
| Formula |
C64H121NO4 |
| InChI |
InChI=1S/C64H121NO4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-55-57-59-63(68)64(69)65-61(60-66)62(67)58-56-54-52-50-48-46-44-42-40-22-20-18-16-14-12-10-8-6-4-2/h27-28,30-31,48,50,56,58,61-63,66-68H,3-26,29,32-47,49,51-55,57,59-60H2,1-2H3,(H,65,69)/b28-27-,31-30-,50-48+,58-56+ |
| InChIKey |
WVNGRSCREDZWCN-VSJOOCKBNA-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 |
CCCCCCCCCCCCCCC\C=C\CC\C=C\C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
