| SpectraBase Spectrum ID |
IGqa3IK9IGU |
| Name |
PE-Cer 26:2;2O/18:2;O |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide phosphoethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
810.625090140 u |
| Formula |
C46H87N2O7P |
| InChI |
InChI=1S/C46H87N2O7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-45(50)44(42-55-56(52,53)54-40-39-47)48-46(51)41-43(49)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h12,14,16,25,28,30,36,38,43-45,49-50H,3-11,13,15,17-24,26-27,29,31-35,37,39-42,47H2,1-2H3,(H,48,51)(H,52,53)/b14-12-,25-16-,30-28+,38-36+ |
| InChIKey |
YKRCHHVGKQWDQU-OWPFFLNHNA-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 |
CCCCCCCCCCCCCCCCC\C=C\CC\C=C\C(O)C(COP(O)(=O)OCCN)NC(=O)CC(O)CCCCCC\C=C/C=C\CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
