| SpectraBase Spectrum ID |
E1GrT69GkWp |
| Name |
Cer 18:1;2O/20:1;O(FA 14:0) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
817.752325287 u |
| Formula |
C52H99NO5 |
| InChI |
InChI=1S/C52H99NO5/c1-3-5-7-9-11-13-15-21-25-28-32-36-40-44-50(55)49(48-54)53-51(56)45-41-37-33-29-26-22-19-17-16-18-20-23-27-31-35-39-43-47-58-52(57)46-42-38-34-30-24-14-12-10-8-6-4-2/h16,18,40,44,49-50,54-55H,3-15,17,19-39,41-43,45-48H2,1-2H3,(H,53,56)/b18-16-,44-40+ |
| InChIKey |
DNLIRDWRSNEUGP-HWPHMBMFNA-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 |
CCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCC\C=C/CCCCCCCCOC(=O)CCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
