| SpectraBase Spectrum ID |
An4NbJhqNY3 |
| Name |
Cer 25:1;2O/34:0;O(FA 17:0) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1156.143576897 u |
| Formula |
C76H149NO5 |
| InChI |
InChI=1S/C76H149NO5/c1-3-5-7-9-11-13-15-17-19-20-21-35-38-41-44-48-52-56-60-64-68-74(79)73(72-78)77-75(80)69-65-61-57-53-49-45-42-39-36-33-31-29-27-25-23-22-24-26-28-30-32-34-37-40-43-47-51-55-59-63-67-71-82-76(81)70-66-62-58-54-50-46-18-16-14-12-10-8-6-4-2/h64,68,73-74,78-79H,3-63,65-67,69-72H2,1-2H3,(H,77,80)/b68-64+ |
| InChIKey |
KKRQMVQODRRQCH-RXLQYJFXNA-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 |
CCCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
