| SpectraBase Spectrum ID |
DMgLzfdQr2S |
| Name |
Cer 38:3;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 |
981.908825931 u |
| Formula |
C64H119NO5 |
| InChI |
InChI=1S/C64H119NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-53-55-57-61(67)63(69)60(59-66)65-64(70)62(68)58-56-54-52-50-48-46-44-42-40-37-26-24-22-20-18-16-14-12-10-8-6-4-2/h24,26,35-36,40-43,49,51,60-63,66-69H,3-23,25,27-34,37-39,44-48,50,52-59H2,1-2H3,(H,65,70)/b26-24-,36-35+,42-40-,43-41+,51-49+ |
| InChIKey |
NTRKCOAGASUJFO-XTVBVNLWNA-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 |
CCCCCCCCCCCCCCCCCCCCC\C=C\CC\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 |
