| SpectraBase Spectrum ID |
36uN95sSzVD |
| Name |
Cer 15:3;2O/12:1;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
449.350508993 u |
| Formula |
C27H47NO4 |
| InChI |
InChI=1S/C27H47NO4/c1-3-5-7-9-11-13-14-16-17-19-21-25(30)24(23-29)28-27(32)26(31)22-20-18-15-12-10-8-6-4-2/h5,7,13-15,18-19,21,24-26,29-31H,3-4,6,8-12,16-17,20,22-23H2,1-2H3,(H,28,32)/b7-5+,14-13+,18-15-,21-19+ |
| InChIKey |
LNMYFXSAARUBMH-UUQMUDOYNA-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/CCC(O)C(=O)NC(CO)C(O)\C=C\CC\C=C\CC\C=C\CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
