| SpectraBase Compound ID | 88yRgIrbXuK |
|---|---|
| InChI | InChI=1S/C15H29O8P/c1-3-5-6-7-8-10-15(17)23-13(12-22-24(18,19)20)11-21-14(16)9-4-2/h13H,3-12H2,1-2H3,(H2,18,19,20) |
| InChIKey | YGCRXRRBVBIOQL-UHFFFAOYNA-N |
| Mol Weight | 368.36 g/mol |
| Molecular Formula | C15H29O8P |
| Exact Mass | 368.160005 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 | KhkrwJmVPnM |
|---|---|
| Name | PA 4:0_8:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Phosphatidic acid |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.160004884 u |
| Formula | C15H29O8P |
| InChI | InChI=1S/C15H29O8P/c1-3-5-6-7-8-10-15(17)23-13(12-22-24(18,19)20)11-21-14(16)9-4-2/h13H,3-12H2,1-2H3,(H2,18,19,20) |
| InChIKey | YGCRXRRBVBIOQL-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 | CCCCCCCC(=O)OC(COC(=O)CCC)COP(O)(O)=O |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |