| SpectraBase Compound ID | D3lyYvDijKA |
|---|---|
| InChI | InChI=1S/C32H65O9P/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-38-28-31(29-40-42(36,37)39-27-30(34)26-33)41-32(35)24-22-20-18-10-8-6-4-2/h30-31,33-34H,3-29H2,1-2H3,(H,36,37) |
| InChIKey | YBRKMTGNIVHQEM-UHFFFAOYNA-N |
| Mol Weight | 624.8 g/mol |
| Molecular Formula | C32H65O9P |
| Exact Mass | 624.436621 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 3XokXsehAHL |
|---|---|
| Name | PG O-16:0_10:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Ether-linked phosphatidylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 624.436620662 u |
| Formula | C32H65O9P |
| InChI | InChI=1S/C32H65O9P/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-38-28-31(29-40-42(36,37)39-27-30(34)26-33)41-32(35)24-22-20-18-10-8-6-4-2/h30-31,33-34H,3-29H2,1-2H3,(H,36,37) |
| InChIKey | YBRKMTGNIVHQEM-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 | CCCCCCCCCCCCCCCCOCC(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 |