| SpectraBase Spectrum ID |
FWEbRTmAqVT |
| Name |
Cer 35:2;3O/26:2;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
941.877525802 u |
| Formula |
C61H115NO5 |
| InChI |
InChI=1S/C61H115NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-50-52-54-58(64)60(66)57(56-63)62-61(67)59(65)55-53-51-49-47-45-43-41-39-37-34-26-24-22-20-18-16-14-12-10-8-6-4-2/h24,26,37-40,46,48,57-60,63-66H,3-23,25,27-36,41-45,47,49-56H2,1-2H3,(H,62,67)/b26-24-,39-37-,40-38+,48-46+ |
| InChIKey |
URZMANJTWLEXIM-TYZNOHAMNA-N |
| Ion Polarity |
P |
| 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 |
CCCCCCCCCCCCCCCCCCCCCC\C=C\CC\C=C\CCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCC\C=C/C\C=C/CCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
