| SpectraBase Compound ID | CK9nv1N9J0B |
|---|---|
| InChI | InChI=1S/C19H40NO7P/c1-6-8-9-10-11-12-14-24-16-18(27-19(21)7-2)17-26-28(22,23)25-15-13-20(3,4)5/h18H,6-17H2,1-5H3 |
| InChIKey | XPLOSEHTGSAZNV-UHFFFAOYNA-N |
| Mol Weight | 425.5 g/mol |
| Molecular Formula | C19H40NO7P |
| Exact Mass | 425.25424 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | iUuOxwKIyP |
|---|---|
| Name | PC O-8:0_3:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Ether-linked phosphatidylcholine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 425.254239623 u |
| Formula | C19H40NO7P |
| InChI | InChI=1S/C19H40NO7P/c1-6-8-9-10-11-12-14-24-16-18(27-19(21)7-2)17-26-28(22,23)25-15-13-20(3,4)5/h18H,6-17H2,1-5H3 |
| InChIKey | XPLOSEHTGSAZNV-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+HCOO]- |
| SMILES | CCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |