| SpectraBase Spectrum ID |
JPuEsSHjKW7 |
| Name |
Cer 25:0;2O/20:1;O(FA 19:1) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
985.940126060 u |
| Formula |
C64H123NO5 |
| InChI |
InChI=1S/C64H123NO5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-28-32-36-40-44-48-52-56-62(67)61(60-66)65-63(68)57-53-49-45-41-37-33-29-26-24-27-31-35-39-43-47-51-55-59-70-64(69)58-54-50-46-42-38-34-30-20-18-16-14-12-10-8-6-4-2/h20,24,27,30,61-62,66-67H,3-19,21-23,25-26,28-29,31-60H2,1-2H3,(H,65,68)/b27-24-,30-20- |
| InChIKey |
KUUXYMNGHGTBEI-QRBJVBNYNA-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 |
CCCCCCCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCCCCC\C=C/CCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
