| SpectraBase Compound ID | GWVKQ3uE7HW |
|---|---|
| InChI | InChI=1S/C23H50NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23(25)22-30-31(26,27)29-20-18-24(2,3)4/h23,25H,5-22H2,1-4H3 |
| InChIKey | PPXKEQMZYFQYCJ-UHFFFAOYNA-N |
| Mol Weight | 467.6 g/mol |
| Molecular Formula | C23H50NO6P |
| Exact Mass | 467.337575 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | HdgQnGXo1Wv |
|---|---|
| Name | LPC O-15:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Ether-linked lysophosphatidylcholine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 467.337575326 u |
| Formula | C23H50NO6P |
| InChI | InChI=1S/C23H50NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23(25)22-30-31(26,27)29-20-18-24(2,3)4/h23,25H,5-22H2,1-4H3 |
| InChIKey | PPXKEQMZYFQYCJ-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+CH3COO]- |
| SMILES | CCCCCCCCCCCCCCCOCC(O)COP([O-])(=O)OCC[N+](C)(C)C |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |