| SpectraBase Spectrum ID |
JxXKJuXi5ua |
| Name |
Cer 23:1;2O/12:0;(3OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide beta-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
567.522659702 u |
| Formula |
C35H69NO4 |
| InChI |
InChI=1S/C35H69NO4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-29-34(39)33(31-37)36-35(40)30-32(38)28-26-24-22-10-8-6-4-2/h27,29,32-34,37-39H,3-26,28,30-31H2,1-2H3,(H,36,40)/b29-27+ |
| InChIKey |
RQMSLGRRFSHOOO-ORIPQNMZNA-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)CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
