| SpectraBase Spectrum ID |
4BOm1EefBJm |
| Name |
Cer 15:2;2O/15:1;(3OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide beta-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
493.413109251 u |
| Formula |
C30H55NO4 |
| InChI |
InChI=1S/C30H55NO4/c1-3-5-7-9-11-13-15-17-19-21-23-27(33)25-30(35)31-28(26-32)29(34)24-22-20-18-16-14-12-10-8-6-4-2/h11,13-14,16,22,24,27-29,32-34H,3-10,12,15,17-21,23,25-26H2,1-2H3,(H,31,35)/b13-11-,16-14+,24-22+ |
| InChIKey |
JGFGKOBKRSOLBJ-NIDBJFHNNA-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 |
CCCCCC\C=C\CC\C=C\C(O)C(CO)NC(=O)CC(O)CCCCC\C=C/CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
