| SpectraBase Spectrum ID |
8Xp2SNT5Hfv |
| Name |
Cer 28:0;2O/16:1;O(FA 21:1) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
999.955776124 u |
| Formula |
C65H125NO5 |
| InChI |
InChI=1S/C65H125NO5/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-33-37-41-45-49-53-57-63(68)62(61-67)66-64(69)58-54-50-46-42-38-34-32-36-40-44-48-52-56-60-71-65(70)59-55-51-47-43-39-35-31-29-22-20-18-16-14-12-10-8-6-4-2/h20,22,34,38,62-63,67-68H,3-19,21,23-33,35-37,39-61H2,1-2H3,(H,66,69)/b22-20-,38-34- |
| InChIKey |
FTAWWCJLDVAUFL-OVYPMVAENA-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 |
CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCC\C=C/CCCCCCCCOC(=O)CCCCCCCCC\C=C/CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
