| SpectraBase Spectrum ID |
GgUDBo1CCOt |
| Name |
Cer 28:2;3O/19:1 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
731.679160346 u |
| Formula |
C47H89NO4 |
| InChI |
InChI=1S/C47H89NO4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-45(50)47(52)44(43-49)48-46(51)42-40-38-36-34-32-30-28-20-18-16-14-12-10-8-6-4-2/h20,26-28,33,35,44-45,47,49-50,52H,3-19,21-25,29-32,34,36-43H2,1-2H3,(H,48,51)/b27-26+,28-20-,35-33+ |
| InChIKey |
RVYMERHFUGBESO-ONCBLMCDNA-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 |
CCCCCCCCCCCCCCC\C=C\CC\C=C\CCCC(O)C(O)C(CO)NC(=O)CCCCCCC\C=C/CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
