| SpectraBase Compound ID | 9AROuCXi7wf |
|---|---|
| InChI | InChI=1S/C31H63O9P/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-37-27-30(28-39-41(35,36)38-26-29(33)25-32)40-31(34)23-21-19-17-10-8-6-4-2/h29-30,32-33H,3-28H2,1-2H3,(H,35,36) |
| InChIKey | PUUCCPBJSGJUQA-UHFFFAOYNA-N |
| Mol Weight | 610.8 g/mol |
| Molecular Formula | C31H63O9P |
| Exact Mass | 610.420971 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 | CTUQeQwJKnT |
|---|---|
| Name | PG O-15:0_10:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Ether-linked phosphatidylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 610.420970598 u |
| Formula | C31H63O9P |
| InChI | InChI=1S/C31H63O9P/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-37-27-30(28-39-41(35,36)38-26-29(33)25-32)40-31(34)23-21-19-17-10-8-6-4-2/h29-30,32-33H,3-28H2,1-2H3,(H,35,36) |
| InChIKey | PUUCCPBJSGJUQA-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 | CCCCCCCCCCCCCCCOCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |