| SpectraBase Spectrum ID |
7mfjWhfF3e1 |
| Name |
Cer 14:0;2O/13:1;O(FA 21:1) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
761.689725029 u |
| Formula |
C48H91NO5 |
| InChI |
InChI=1S/C48H91NO5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-26-30-34-38-42-48(53)54-43-39-35-31-27-23-22-25-29-33-37-41-47(52)49-45(44-50)46(51)40-36-32-28-24-12-10-8-6-4-2/h16-17,23,27,45-46,50-51H,3-15,18-22,24-26,28-44H2,1-2H3,(H,49,52)/b17-16-,27-23- |
| InChIKey |
SSGKJFZIQJYRJO-VEKQRWJZNA-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 |
CCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCC\C=C/CCCCOC(=O)CCCCCCCCC\C=C/CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
