| SpectraBase Spectrum ID |
FDuVUQK8y0q |
| Name |
CerP 16:1;2O/24:4 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide-1-phosphate |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
693.509726034 u |
| Formula |
C40H72NO6P |
| InChI |
InChI=1S/C40H72NO6P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(43)41-38(37-47-48(44,45)46)39(42)35-33-31-29-27-25-14-12-10-8-6-4-2/h17-18,20-21,23-24,28,30,33,35,38-39,42H,3-16,19,22,25-27,29,31-32,34,36-37H2,1-2H3,(H,41,43)(H2,44,45,46)/b18-17-,21-20-,24-23-,30-28-,35-33+/t38-,39+/m0/s1 |
| InChIKey |
FJVPFJUNWAGANB-CXNKHHQDSA-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 |
CCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(O)=O)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
