| SpectraBase Spectrum ID |
8R9JhnlvsEk |
| Name |
Cer 16:0;2O/14:1;O(FA 20:2) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
787.705375094 u |
| Formula |
C50H93NO5 |
| InChI |
InChI=1S/C50H93NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-24-28-32-36-40-44-50(55)56-45-41-37-33-29-25-21-23-27-31-35-39-43-49(54)51-47(46-52)48(53)42-38-34-30-26-22-14-12-10-8-6-4-2/h11,13,16-17,25,29,47-48,52-53H,3-10,12,14-15,18-24,26-28,30-46H2,1-2H3,(H,51,54)/b13-11-,17-16-,29-25- |
| InChIKey |
RMAJWQNRMRUWLJ-MLYLKHHANA-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 |
CCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCCC\C=C/CCCCOC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
