| SpectraBase Compound ID | 1O5f4zwCw5j |
|---|---|
| InChI | InChI=1S/C11H20NO10P/c1-3-10(14)22-8(4-19-7(2)13)5-20-23(17,18)21-6-9(12)11(15)16/h8-9H,3-6,12H2,1-2H3,(H,15,16)(H,17,18) |
| InChIKey | LZEYPKDVMFCPKP-UHFFFAOYNA-N |
| Mol Weight | 357.25 g/mol |
| Molecular Formula | C11H20NO10P |
| Exact Mass | 357.082483 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | KNE5S9yosBP |
|---|---|
| Name | PS 2:0_3:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Phosphatidylserine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.082482836 u |
| Formula | C11H20NO10P |
| InChI | InChI=1S/C11H20NO10P/c1-3-10(14)22-8(4-19-7(2)13)5-20-23(17,18)21-6-9(12)11(15)16/h8-9H,3-6,12H2,1-2H3,(H,15,16)(H,17,18) |
| InChIKey | LZEYPKDVMFCPKP-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 | CCC(=O)OC(COC(C)=O)COP(O)(=O)OCC(N)C(O)=O |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |