| SpectraBase Spectrum ID |
6aOv6KWEpLk |
| Name |
Cer 26:1;3O/20:2 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
717.663510281 u |
| Formula |
C46H87NO4 |
| InChI |
InChI=1S/C46H87NO4/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-40-44(49)46(51)43(42-48)47-45(50)41-39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,32,34,43-44,46,48-49,51H,3-11,13,15-17,19,21-31,33,35-42H2,1-2H3,(H,47,50)/b14-12-,20-18-,34-32+ |
| InChIKey |
LUWSQDSTMNYPFE-PEJCXQKFNA-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 |
CCCCCCCCCCCCCCCCC\C=C\CCCC(O)C(O)C(CO)NC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
