| SpectraBase Compound ID | 3IjiyCe6ejc |
|---|---|
| InChI | InChI=1S/C23H48NO7P/c1-3-5-7-9-11-12-14-16-23(25)31-22(21-30-32(26,27)29-19-17-24)20-28-18-15-13-10-8-6-4-2/h22H,3-21,24H2,1-2H3,(H,26,27) |
| InChIKey | ISGKNNWWOJWCLP-UHFFFAOYNA-N |
| Mol Weight | 481.6 g/mol |
| Molecular Formula | C23H48NO7P |
| Exact Mass | 481.31684 g/mol |
Mass Spectrum (LC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 80GGti1lZuO |
|---|---|
| Name | PE O-8:0_10:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Ether-linked phosphatidylethanolamine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 481.316839881 u |
| Formula | C23H48NO7P |
| InChI | InChI=1S/C23H48NO7P/c1-3-5-7-9-11-12-14-16-23(25)31-22(21-30-32(26,27)29-19-17-24)20-28-18-15-13-10-8-6-4-2/h22H,3-21,24H2,1-2H3,(H,26,27) |
| InChIKey | ISGKNNWWOJWCLP-UHFFFAOYNA-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 | CCCCCCCCCC(=O)OC(COCCCCCCCC)COP(O)(=O)OCCN |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |