| SpectraBase Compound ID | IXxzngUaQX2 |
|---|---|
| InChI | InChI=1S/C20H39O10P/c1-3-5-7-9-11-19(23)27-15-18(30-20(24)12-10-8-6-4-2)16-29-31(25,26)28-14-17(22)13-21/h17-18,21-22H,3-16H2,1-2H3,(H,25,26) |
| InChIKey | SJVYGBXXVHWJQE-UHFFFAOYNA-N |
| Mol Weight | 470.5 g/mol |
| Molecular Formula | C20H39O10P |
| Exact Mass | 470.228084 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 | CU3Oh0ysavn |
|---|---|
| Name | PG 7:0_7:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Phosphatidylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.228084444 u |
| Formula | C20H39O10P |
| InChI | InChI=1S/C20H39O10P/c1-3-5-7-9-11-19(23)27-15-18(30-20(24)12-10-8-6-4-2)16-29-31(25,26)28-14-17(22)13-21/h17-18,21-22H,3-16H2,1-2H3,(H,25,26) |
| InChIKey | SJVYGBXXVHWJQE-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 | CCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |