| SpectraBase Spectrum ID |
KYOPVBHXeyI |
| Name |
Cer 17:0;2O/24:2;O(FA 21:2) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
953.877525802 u |
| Formula |
C62H115NO5 |
| InChI |
InChI=1S/C62H115NO5/c1-3-5-7-9-11-13-15-17-18-19-26-29-32-36-40-44-48-52-56-62(67)68-57-53-49-45-41-37-33-30-27-24-22-20-21-23-25-28-31-35-39-43-47-51-55-61(66)63-59(58-64)60(65)54-50-46-42-38-34-16-14-12-10-8-6-4-2/h13,15,18-19,33,37,45,49,59-60,64-65H,3-12,14,16-17,20-32,34-36,38-44,46-48,50-58H2,1-2H3,(H,63,66)/b15-13-,19-18-,37-33-,49-45- |
| InChIKey |
UENNCHOMEOWMTM-MPVKSZLZNA-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-H]- |
| SMILES |
CCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCC\C=C/C\C=C/CCOC(=O)CCCCCCCCC\C=C/C\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
