| SpectraBase Spectrum ID |
IdLQhf01AQc |
| Name |
PE-Cer 12:2;2O/15:0;O |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide phosphoethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
576.390339174 u |
| Formula |
C29H57N2O7P |
| InChI |
InChI=1S/C29H57N2O7P/c1-3-5-7-9-11-12-13-15-16-18-20-26(32)24-29(34)31-27(25-38-39(35,36)37-23-22-30)28(33)21-19-17-14-10-8-6-4-2/h8,10,19,21,26-28,32-33H,3-7,9,11-18,20,22-25,30H2,1-2H3,(H,31,34)(H,35,36)/b10-8+,21-19+ |
| InChIKey |
SCSLXMHLUBIJPD-GENPUBJUNA-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 |
CCCCCCCCCCCCC(O)CC(=O)NC(COP(O)(=O)OCCN)C(O)\C=C\CC\C=C\CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
