| SpectraBase Compound ID | Hkft81iUt0k |
|---|---|
| InChI | InChI=1S/C32H61O10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-32(36)42-30(28-41-43(37,38)40-26-29(34)25-33)27-39-31(35)23-21-19-10-8-6-4-2/h13-14,29-30,33-34H,3-12,15-28H2,1-2H3,(H,37,38)/b14-13- |
| InChIKey | GYWMTEAKCOGRKK-YPKPFQOONA-N |
| Mol Weight | 636.8 g/mol |
| Molecular Formula | C32H61O10P |
| Exact Mass | 636.400235 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 | JFvJPEp8BIm |
|---|---|
| Name | PG 9:0_17:1 |
| Classification | Glycerophospholipids [GP] |
| Comments | Phosphatidylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 636.400235152 u |
| Formula | C32H61O10P |
| InChI | InChI=1S/C32H61O10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-32(36)42-30(28-41-43(37,38)40-26-29(34)25-33)27-39-31(35)23-21-19-10-8-6-4-2/h13-14,29-30,33-34H,3-12,15-28H2,1-2H3,(H,37,38)/b14-13- |
| InChIKey | GYWMTEAKCOGRKK-YPKPFQOONA-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 | CCCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C/CCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |