| SpectraBase Spectrum ID |
2hwmISyZhuT |
| Name |
Cer 28:0;2O/30:1;O(FA 19:1) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1168.143576897 u |
| Formula |
C77H149NO5 |
| InChI |
InChI=1S/C77H149NO5/c1-3-5-7-9-11-13-15-17-19-21-22-23-29-32-35-38-41-45-49-53-57-61-65-69-75(80)74(73-79)78-76(81)70-66-62-58-54-50-46-42-39-36-33-30-27-25-24-26-28-31-34-37-40-44-48-52-56-60-64-68-72-83-77(82)71-67-63-59-55-51-47-43-20-18-16-14-12-10-8-6-4-2/h20,24-25,43,74-75,79-80H,3-19,21-23,26-42,44-73H2,1-2H3,(H,78,81)/b25-24-,43-20- |
| InChIKey |
PBQXUZHQLPGNHK-HGTOLHLENA-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(CO)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
