| SpectraBase Spectrum ID |
K7SUsPonELJ |
| Name |
Cer 22:3;3O/16:2;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
617.501924256 u |
| Formula |
C38H67NO5 |
| InChI |
InChI=1S/C38H67NO5/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-35(41)37(43)34(33-40)39-38(44)36(42)32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,18-19,21,23-25,28,30,34-37,40-43H,3-10,12,14-17,20,22,26-27,29,31-33H2,1-2H3,(H,39,44)/b13-11+,19-18+,24-21-,25-23+,30-28- |
| InChIKey |
RBMCYHKYJOHHEF-XFQHYTAFNA-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 |
CCCCCCCC\C=C/C\C=C/CC(O)C(=O)NC(CO)C(O)C(O)CCC\C=C\CC\C=C\CC\C=C\CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
