| SpectraBase Spectrum ID |
KldtdFkvoZf |
| Name |
Cer 30:1;2O/27:1;O(FA 16:0) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1112.080976639 u |
| Formula |
C73H141NO5 |
| InChI |
InChI=1S/C73H141NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-26-29-32-35-38-42-45-49-53-57-61-65-71(76)70(69-75)74-72(77)66-62-58-54-50-46-43-39-36-33-30-27-24-25-28-31-34-37-40-44-48-52-56-60-64-68-79-73(78)67-63-59-55-51-47-41-16-14-12-10-8-6-4-2/h27,30,61,65,70-71,75-76H,3-26,28-29,31-60,62-64,66-69H2,1-2H3,(H,74,77)/b30-27-,65-61+ |
| InChIKey |
HOJSPMSCAUZEOH-LZSSBBLSNA-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+HCOO]- |
| SMILES |
CCCCCCCCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCC\C=C/CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
