| SpectraBase Compound ID | FYcQOdoKAO |
|---|---|
| InChI | InChI=1S/C14H27O10P/c1-3-5-6-14(18)24-12(9-21-13(17)4-2)10-23-25(19,20)22-8-11(16)7-15/h11-12,15-16H,3-10H2,1-2H3,(H,19,20) |
| InChIKey | UFSDBCHVSUJAGB-UHFFFAOYNA-N |
| Mol Weight | 386.33 g/mol |
| Molecular Formula | C14H27O10P |
| Exact Mass | 386.134184 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | fbegn3y4tM |
|---|---|
| Name | PG 3:0_5:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Phosphatidylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.134184057 u |
| Formula | C14H27O10P |
| InChI | InChI=1S/C14H27O10P/c1-3-5-6-14(18)24-12(9-21-13(17)4-2)10-23-25(19,20)22-8-11(16)7-15/h11-12,15-16H,3-10H2,1-2H3,(H,19,20) |
| InChIKey | UFSDBCHVSUJAGB-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 | CCCCC(=O)OC(COC(=O)CC)COP(O)(=O)OCC(O)CO |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |