| SpectraBase Spectrum ID |
4u1O7EfYT5X |
| Name |
PE-Cer 15:3;2O/18:2;O |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide phosphoethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
654.437289368 u |
| Formula |
C35H63N2O7P |
| InChI |
InChI=1S/C35H63N2O7P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-32(38)30-35(40)37-33(31-44-45(41,42)43-29-28-36)34(39)27-25-23-21-19-14-12-10-8-6-4-2/h6,8,11,13-16,19,25,27,32-34,38-39H,3-5,7,9-10,12,17-18,20-24,26,28-31,36H2,1-2H3,(H,37,40)(H,41,42)/b8-6+,13-11-,16-15-,19-14+,27-25+ |
| InChIKey |
PYBKKIYIFXKUOU-LZTDBSCNNA-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 |
CCCCC\C=C/C=C\CCCCCCC(O)CC(=O)NC(COP(O)(=O)OCCN)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 |
