| SpectraBase Spectrum ID |
DBQSJoeOLXV |
| Name |
CerP 14:1;2O/24:4 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide-1-phosphate |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
665.478425906 u |
| Formula |
C38H68NO6P |
| InChI |
InChI=1S/C38H68NO6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-38(41)39-36(35-45-46(42,43)44)37(40)33-31-29-27-25-12-10-8-6-4-2/h16-17,19-20,22-23,26,28,31,33,36-37,40H,3-15,18,21,24-25,27,29-30,32,34-35H2,1-2H3,(H,39,41)(H2,42,43,44)/b17-16-,20-19-,23-22-,28-26-,33-31+/t36-,37+/m0/s1 |
| InChIKey |
DNEWAORWUJMUOB-LUZZLTFZSA-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 |
CCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
