| SpectraBase Spectrum ID |
7x2SOi6PzXH |
| Name |
Cer 29:1;2O/19:1;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
747.710460475 u |
| Formula |
C48H93NO4 |
| InChI |
InChI=1S/C48H93NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-30-32-34-36-38-40-42-46(51)45(44-50)49-48(53)47(52)43-41-39-37-35-33-31-28-18-16-14-12-10-8-6-4-2/h28,31,40,42,45-47,50-52H,3-27,29-30,32-39,41,43-44H2,1-2H3,(H,49,53)/b31-28-,42-40+ |
| InChIKey |
IUTTXZFKFNPTAQ-YCJKEKEINA-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 |
CCCCCCCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)C(O)CCCCCC\C=C/CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
