| SpectraBase Spectrum ID |
81uBFnNzZBz |
| Name |
Cer 23:0;2O/13:1;O(FA 22:0) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
903.861875738 u |
| Formula |
C58H113NO5 |
| InChI |
InChI=1S/C58H113NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-40-44-48-52-58(63)64-53-49-45-41-37-33-32-35-39-43-47-51-57(62)59-55(54-60)56(61)50-46-42-38-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,37,55-56,60-61H,3-32,34-36,38-54H2,1-2H3,(H,59,62)/b37-33- |
| InChIKey |
PXHMPUCEMSLUJK-FJSCPDHXNA-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-H]- |
| SMILES |
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC\C=C/CCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
