| SpectraBase Compound ID | D33zZJpJYGf |
|---|---|
| InChI | InChI=1S/C34H70NO6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(37)35-32(31-41-42(38,39)40)33(36)29-27-25-23-21-12-10-8-6-4-2/h32-33,36H,3-31H2,1-2H3,(H,35,37)(H2,38,39,40)/t32-,33+/m0/s1 |
| InChIKey | KZLFXFLEVSYYCJ-JHOUSYSJSA-N |
| Mol Weight | 619.9 g/mol |
| Molecular Formula | C34H70NO6P |
| Exact Mass | 619.494076 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | AOmaG418knu |
|---|---|
| Name | CerP 14:0;2O/20:0 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide-1-phosphate |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 619.494075970 u |
| Formula | C34H70NO6P |
| InChI | InChI=1S/C34H70NO6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(37)35-32(31-41-42(38,39)40)33(36)29-27-25-23-21-12-10-8-6-4-2/h32-33,36H,3-31H2,1-2H3,(H,35,37)(H2,38,39,40)/t32-,33+/m0/s1 |
| InChIKey | KZLFXFLEVSYYCJ-JHOUSYSJSA-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 | CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)CCCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |