| SpectraBase Compound ID | 1FTfWrjZGD2 |
|---|---|
| InChI | InChI=1S/C29H60NO6P/c1-3-5-7-9-11-13-14-15-17-18-20-22-24-28(31)27(26-36-37(33,34)35)30-29(32)25-23-21-19-16-12-10-8-6-4-2/h27-28,31H,3-26H2,1-2H3,(H,30,32)(H2,33,34,35)/t27-,28+/m0/s1 |
| InChIKey | WMMSDLPBVAEHRD-WUFINQPMSA-N |
| Mol Weight | 549.8 g/mol |
| Molecular Formula | C29H60NO6P |
| Exact Mass | 549.415826 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 4y1jlvWVyfh |
|---|---|
| Name | CerP 17:0;2O/12:0 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide-1-phosphate |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 549.415825648 u |
| Formula | C29H60NO6P |
| InChI | InChI=1S/C29H60NO6P/c1-3-5-7-9-11-13-14-15-17-18-20-22-24-28(31)27(26-36-37(33,34)35)30-29(32)25-23-21-19-16-12-10-8-6-4-2/h27-28,31H,3-26H2,1-2H3,(H,30,32)(H2,33,34,35)/t27-,28+/m0/s1 |
| InChIKey | WMMSDLPBVAEHRD-WUFINQPMSA-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)CCCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |