| SpectraBase Spectrum ID |
HqVkHqFB61P |
| Name |
Cer 25:1;2O/24:2;O(FA 19:1) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1037.971426188 u |
| Formula |
C68H127NO5 |
| InChI |
InChI=1S/C68H127NO5/c1-3-5-7-9-11-13-15-17-19-21-22-26-29-32-36-40-44-48-52-56-60-66(71)65(64-70)69-67(72)61-57-53-49-45-41-37-33-30-27-24-23-25-28-31-35-39-43-47-51-55-59-63-74-68(73)62-58-54-50-46-42-38-34-20-18-16-14-12-10-8-6-4-2/h20,34,39,43,51,55-56,60,65-66,70-71H,3-19,21-33,35-38,40-42,44-50,52-54,57-59,61-64H2,1-2H3,(H,69,72)/b34-20-,43-39-,55-51-,60-56+ |
| InChIKey |
AWSOQPPWLJTWHA-PGFOOHDLNA-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 |
CCCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCC\C=C/C\C=C/CCOC(=O)CCCCCCC\C=C/CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
