| SpectraBase Spectrum ID |
5gU5FuWNLth |
| Name |
Cer 14:1;2O/20:1;O(FA 16:1) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
787.705375094 u |
| Formula |
C50H93NO5 |
| InChI |
InChI=1S/C50H93NO5/c1-3-5-7-9-11-13-14-20-24-28-32-36-40-44-50(55)56-45-41-37-33-29-25-22-19-17-15-16-18-21-23-27-31-35-39-43-49(54)51-47(46-52)48(53)42-38-34-30-26-12-10-8-6-4-2/h13-15,17,38,42,47-48,52-53H,3-12,16,18-37,39-41,43-46H2,1-2H3,(H,51,54)/b14-13-,17-15-,42-38+ |
| InChIKey |
YYLYEDWVMJIVJJ-HRUNJQKPNA-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+HCOO]- |
| SMILES |
CCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCC\C=C/CCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
