| SpectraBase Spectrum ID |
IVOD8EubhNw |
| Name |
CerP 17:0;2O/24:1 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide-1-phosphate |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
715.587976356 u |
| Formula |
C41H82NO6P |
| InChI |
InChI=1S/C41H82NO6P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(44)42-39(38-48-49(45,46)47)40(43)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h17-18,39-40,43H,3-16,19-38H2,1-2H3,(H,42,44)(H2,45,46,47)/b18-17-/t39-,40+/m0/s1 |
| InChIKey |
XDIVYUNWFSAMCY-QVEKJMDDSA-N |
| Ion Polarity |
P |
| 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 |
CCCCCCCCCCCCCC[C@@H](O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
