| SpectraBase Spectrum ID |
5nzAsv9C7V3 |
| Name |
Cer 24:3;3O/28:2;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
813.721025158 u |
| Formula |
C52H95NO5 |
| InChI |
InChI=1S/C52H95NO5/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-50(56)52(58)53-48(47-54)51(57)49(55)45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2/h16,18,23-24,26-27,29,31,37,39,48-51,54-57H,3-15,17,19-22,25,28,30,32-36,38,40-47H2,1-2H3,(H,53,58)/b18-16+,24-23-,27-26-,31-29+,39-37+ |
| InChIKey |
OKHJLJOIQDFIRX-BLBCFCRCNA-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+HCOO]- |
| SMILES |
CCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCC\C=C\CC\C=C\CC\C=C\CCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
