| SpectraBase Spectrum ID |
4QkHvk7k7T7 |
| Name |
PE-Cer 12:1;2O/15:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide phosphoethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
562.411074620 u |
| Formula |
C29H59N2O6P |
| InChI |
InChI=1S/C29H59N2O6P/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-29(33)31-27(26-37-38(34,35)36-25-24-30)28(32)22-20-18-16-10-8-6-4-2/h20,22,27-28,32H,3-19,21,23-26,30H2,1-2H3,(H,31,33)(H,34,35)/b22-20+ |
| InChIKey |
NSYKRAGKTMQFFE-LSDHQDQONA-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(=O)NC(COP(O)(=O)OCCN)C(O)\C=C\CCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
