| SpectraBase Spectrum ID |
JVSF62ogeXq |
| Name |
Cer 30:0;2O/24:2;O(FA 20:2) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1122.065326575 u |
| Formula |
C74H139NO5 |
| InChI |
InChI=1S/C74H139NO5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-31-35-38-42-46-50-54-58-62-66-72(77)71(70-76)75-73(78)67-63-59-55-51-47-43-39-36-32-29-27-30-33-37-41-45-49-53-57-61-65-69-80-74(79)68-64-60-56-52-48-44-40-34-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,45,49,57,61,71-72,76-77H,3-11,13,15-17,19,21-44,46-48,50-56,58-60,62-70H2,1-2H3,(H,75,78)/b14-12-,20-18-,49-45-,61-57- |
| InChIKey |
YHPCCNRFVRDDSR-NAEFKQHJNA-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 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCC\C=C/C\C=C/CCOC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
