| SpectraBase Compound ID | 9XyRHENReCg |
|---|---|
| InChI | InChI=1S/C19H36NO10P/c1-3-5-7-9-11-18(22)30-15(12-27-17(21)10-8-6-4-2)13-28-31(25,26)29-14-16(20)19(23)24/h15-16H,3-14,20H2,1-2H3,(H,23,24)(H,25,26) |
| InChIKey | HBHMCQBKZIFDNC-UHFFFAOYNA-N |
| Mol Weight | 469.5 g/mol |
| Molecular Formula | C19H36NO10P |
| Exact Mass | 469.207683 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | GCxUVJy61Gz |
|---|---|
| Name | PS 6:0_7:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Phosphatidylserine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 469.207683351 u |
| Formula | C19H36NO10P |
| InChI | InChI=1S/C19H36NO10P/c1-3-5-7-9-11-18(22)30-15(12-27-17(21)10-8-6-4-2)13-28-31(25,26)29-14-16(20)19(23)24/h15-16H,3-14,20H2,1-2H3,(H,23,24)(H,25,26) |
| InChIKey | HBHMCQBKZIFDNC-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)OC(COC(=O)CCCCC)COP(O)(=O)OCC(N)C(O)=O |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |