| SpectraBase Compound ID | 4lGLJOMMED1 |
|---|---|
| InChI | InChI=1S/C16H34NO7P/c1-3-4-5-6-7-8-9-11-21-13-16(24-15(2)18)14-23-25(19,20)22-12-10-17/h16H,3-14,17H2,1-2H3,(H,19,20) |
| InChIKey | JKPCVQMNRCGXND-UHFFFAOYNA-N |
| Mol Weight | 383.4 g/mol |
| Molecular Formula | C16H34NO7P |
| Exact Mass | 383.207289 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 2IwuKAEfW1z |
|---|---|
| Name | PE O-9:0_2:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Ether-linked phosphatidylethanolamine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.207289430 u |
| Formula | C16H34NO7P |
| InChI | InChI=1S/C16H34NO7P/c1-3-4-5-6-7-8-9-11-21-13-16(24-15(2)18)14-23-25(19,20)22-12-10-17/h16H,3-14,17H2,1-2H3,(H,19,20) |
| InChIKey | JKPCVQMNRCGXND-UHFFFAOYNA-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 | CCCCCCCCCOCC(COP(O)(=O)OCCN)OC(C)=O |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |