| SpectraBase Compound ID | 2i7CCB40XyV |
|---|---|
| InChI | InChI=1S/C20H44NO6P/c1-5-6-7-8-9-10-11-12-13-14-16-25-18-20(22)19-27-28(23,24)26-17-15-21(2,3)4/h20,22H,5-19H2,1-4H3 |
| InChIKey | URUYDXJUCOUNCY-UHFFFAOYNA-N |
| Mol Weight | 425.5 g/mol |
| Molecular Formula | C20H44NO6P |
| Exact Mass | 425.290625 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 | 99Fs0v78tNo |
|---|---|
| Name | LPC O-12:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Ether-linked lysophosphatidylcholine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 425.290625133 u |
| Formula | C20H44NO6P |
| InChI | InChI=1S/C20H44NO6P/c1-5-6-7-8-9-10-11-12-13-14-16-25-18-20(22)19-27-28(23,24)26-17-15-21(2,3)4/h20,22H,5-19H2,1-4H3 |
| InChIKey | URUYDXJUCOUNCY-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 | CCCCCCCCCCCCOCC(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 |