| SpectraBase Spectrum ID |
79W4UryBDUg |
| Name |
Cer 23:1;2O/20:1;O(FA 22:1) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
997.940126060 u |
| Formula |
C65H123NO5 |
| InChI |
InChI=1S/C65H123NO5/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-35-39-43-47-51-55-59-65(70)71-60-56-52-48-44-40-36-32-28-24-26-30-34-38-42-46-50-54-58-64(69)66-62(61-67)63(68)57-53-49-45-41-37-33-29-25-22-20-18-16-14-12-10-8-6-4-2/h17,19,24,28,53,57,62-63,67-68H,3-16,18,20-23,25-27,29-52,54-56,58-61H2,1-2H3,(H,66,69)/b19-17-,28-24-,57-53+ |
| InChIKey |
WGJCBNSMHQDIHF-MCFRTTRRNA-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 |
CCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCC\C=C/CCCCCCCCOC(=O)CCCCCCCCCCC\C=C/CCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
