| SpectraBase Spectrum ID |
LQ0agz5n3bJ |
| Name |
PE-Cer 14:3;2O/13:0;O |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide phosphoethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
574.374689110 u |
| Formula |
C29H55N2O7P |
| InChI |
InChI=1S/C29H55N2O7P/c1-3-5-7-9-11-13-15-17-19-21-28(33)27(25-38-39(35,36)37-23-22-30)31-29(34)24-26(32)20-18-16-14-12-10-8-6-4-2/h3,5,11,13,19,21,26-28,32-33H,4,6-10,12,14-18,20,22-25,30H2,1-2H3,(H,31,34)(H,35,36)/b5-3+,13-11+,21-19+ |
| InChIKey |
UQPHCIFWIODIPY-AFEIBYPLNA-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 |
CCCCCCCCCCC(O)CC(=O)NC(COP(O)(=O)OCCN)C(O)\C=C\CC\C=C\CC\C=C\C |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
