| SpectraBase Compound ID | 8FFBMx1oBjD |
|---|---|
| InChI | InChI=1S/C28H58NO6P/c1-3-5-7-9-11-13-14-16-17-19-21-23-27(30)26(25-35-36(32,33)34)29-28(31)24-22-20-18-15-12-10-8-6-4-2/h26-27,30H,3-25H2,1-2H3,(H,29,31)(H2,32,33,34)/t26-,27+/m0/s1 |
| InChIKey | MWGSTLLNNLVYOW-RRPNLBNLSA-N |
| Mol Weight | 535.7 g/mol |
| Molecular Formula | C28H58NO6P |
| Exact Mass | 535.400176 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | EBdc2kmV7pI |
|---|---|
| Name | CerP 16:0;2O/12:0 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide-1-phosphate |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 535.400175584 u |
| Formula | C28H58NO6P |
| InChI | InChI=1S/C28H58NO6P/c1-3-5-7-9-11-13-14-16-17-19-21-23-27(30)26(25-35-36(32,33)34)29-28(31)24-22-20-18-15-12-10-8-6-4-2/h26-27,30H,3-25H2,1-2H3,(H,29,31)(H2,32,33,34)/t26-,27+/m0/s1 |
| InChIKey | MWGSTLLNNLVYOW-RRPNLBNLSA-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 | CCCCCCCCCCCCC[C@@H](O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |