| SpectraBase Spectrum ID |
JvXZYt28Rmi |
| Name |
Cer 23:1;2O/13:1;(3OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide beta-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
579.522659702 u |
| Formula |
C36H69NO4 |
| InChI |
InChI=1S/C36H69NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-35(40)34(32-38)37-36(41)31-33(39)29-27-25-23-12-10-8-6-4-2/h10,12,28,30,33-35,38-40H,3-9,11,13-27,29,31-32H2,1-2H3,(H,37,41)/b12-10-,30-28+ |
| InChIKey |
WVNOJJSSUHRBCF-SRVPRPFZNA-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 |
CCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CC(O)CCCC\C=C/CCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
