| SpectraBase Spectrum ID |
5QBQLKj3ZLI |
| Name |
Cer 28:1;2O/16:2;O(FA 19:2) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
965.877525802 u |
| Formula |
C63H115NO5 |
| InChI |
InChI=1S/C63H115NO5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-31-35-39-43-47-51-55-61(66)60(59-65)64-62(67)56-52-48-44-40-36-32-30-34-38-42-46-50-54-58-69-63(68)57-53-49-45-41-37-33-29-20-18-16-14-12-10-8-6-4-2/h14,16,20,29,32,36,44,48,51,55,60-61,65-66H,3-13,15,17-19,21-28,30-31,33-35,37-43,45-47,49-50,52-54,56-59H2,1-2H3,(H,64,67)/b16-14-,29-20-,36-32-,48-44-,55-51+ |
| InChIKey |
BHDPFIQUBYFGIA-JYEVOHQONA-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 |
CCCCCCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CC\C=C/C\C=C/CCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
