| SpectraBase Compound ID | 4He9sP9FNBW |
|---|---|
| InChI | InChI=1S/C13H30NO6P/c1-2-3-4-5-6-7-9-18-11-13(15)12-20-21(16,17)19-10-8-14/h13,15H,2-12,14H2,1H3,(H,16,17) |
| InChIKey | COQDFASIZRWHHB-UHFFFAOYNA-N |
| Mol Weight | 327.36 g/mol |
| Molecular Formula | C13H30NO6P |
| Exact Mass | 327.181075 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 3S2slr7zQvA |
|---|---|
| Name | LPE O-8:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Ether-linked lysophosphatidylethanolamine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.181074682 u |
| Formula | C13H30NO6P |
| InChI | InChI=1S/C13H30NO6P/c1-2-3-4-5-6-7-9-18-11-13(15)12-20-21(16,17)19-10-8-14/h13,15H,2-12,14H2,1H3,(H,16,17) |
| InChIKey | COQDFASIZRWHHB-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 | CCCCCCCCOCC(O)COP(O)(=O)OCCN |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |