| SpectraBase Compound ID | 4Wo1GtXVDIP |
|---|---|
| InChI | InChI=1S/C28H54NO10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27(31)39-24(21-36-26(30)19-4-2)22-37-40(34,35)38-23-25(29)28(32)33/h24-25H,3-23,29H2,1-2H3,(H,32,33)(H,34,35) |
| InChIKey | BFQFCZCGIDROPJ-UHFFFAOYNA-N |
| Mol Weight | 595.7 g/mol |
| Molecular Formula | C28H54NO10P |
| Exact Mass | 595.348534 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 | 5heAyD7i1lq |
|---|---|
| Name | PS 4:0_18:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Phosphatidylserine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 595.348533931 u |
| Formula | C28H54NO10P |
| InChI | InChI=1S/C28H54NO10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27(31)39-24(21-36-26(30)19-4-2)22-37-40(34,35)38-23-25(29)28(32)33/h24-25H,3-23,29H2,1-2H3,(H,32,33)(H,34,35) |
| InChIKey | BFQFCZCGIDROPJ-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 | CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC)COP(O)(=O)OCC(N)C(O)=O |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |