| SpectraBase Spectrum ID |
LTeFUlGItWx |
| Name |
Cer 29:0;3O/24:2;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
833.783625416 u |
| Formula |
C53H103NO5 |
| InChI |
InChI=1S/C53H103NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-29-30-32-34-36-38-40-42-44-46-50(56)52(58)49(48-55)54-53(59)51(57)47-45-43-41-39-37-35-33-31-28-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,49-52,55-58H,3-5,7,9-11,13,15-48H2,1-2H3,(H,54,59)/b8-6-,14-12- |
| InChIKey |
OURXTBLLXVBNRX-HWXFIQLYNA-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 |
CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCC\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
