| SpectraBase Compound ID | 15K1wv1Ck00 |
|---|---|
| InChI | InChI=1S/C20H38NO10P/c1-3-5-7-9-11-18(22)28-13-16(31-19(23)12-10-8-6-4-2)14-29-32(26,27)30-15-17(21)20(24)25/h16-17H,3-15,21H2,1-2H3,(H,24,25)(H,26,27) |
| InChIKey | DEYVZBHHZQDSMS-UHFFFAOYNA-N |
| Mol Weight | 483.5 g/mol |
| Molecular Formula | C20H38NO10P |
| Exact Mass | 483.223333 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 8Nq8EeN4uQ7 |
|---|---|
| Name | PS 7:0_7:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Phosphatidylserine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 483.223333416 u |
| Formula | C20H38NO10P |
| InChI | InChI=1S/C20H38NO10P/c1-3-5-7-9-11-18(22)28-13-16(31-19(23)12-10-8-6-4-2)14-29-32(26,27)30-15-17(21)20(24)25/h16-17H,3-15,21H2,1-2H3,(H,24,25)(H,26,27) |
| InChIKey | DEYVZBHHZQDSMS-UHFFFAOYNA-N |
| Ion Polarity | P |
| 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 | CCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |