| SpectraBase Spectrum ID |
5toIBClSuJi |
| Name |
Cer 30:0;2O/24:2;O(FA 22:2) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1150.096626704 u |
| Formula |
C76H143NO5 |
| InChI |
InChI=1S/C76H143NO5/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-29-33-36-40-44-48-52-56-60-64-68-74(79)73(72-78)77-75(80)69-65-61-57-53-49-45-41-37-34-30-28-31-35-39-43-47-51-55-59-63-67-71-82-76(81)70-66-62-58-54-50-46-42-38-32-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,47,51,59,63,73-74,78-79H,3-11,13,15-17,19,21-46,48-50,52-58,60-62,64-72H2,1-2H3,(H,77,80)/b14-12-,20-18-,51-47-,63-59- |
| InChIKey |
HHFCFAZFEIQAAJ-FWOVWWQUNA-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 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCC\C=C/C\C=C/CCOC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
