| SpectraBase Compound ID | 1LJTd5NNswK |
|---|---|
| InChI | InChI=1S/C24H45O10P/c1-3-5-7-8-9-10-11-12-13-14-16-24(28)34-22(19-31-23(27)15-6-4-2)20-33-35(29,30)32-18-21(26)17-25/h7-8,21-22,25-26H,3-6,9-20H2,1-2H3,(H,29,30)/b8-7- |
| InChIKey | HOZFXMIKSKVHDH-FPLPWBNLNA-N |
| Mol Weight | 524.6 g/mol |
| Molecular Formula | C24H45O10P |
| Exact Mass | 524.275035 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | qrCou9qBlw |
|---|---|
| Name | PG 5:0_13:1 |
| Classification | Glycerophospholipids [GP] |
| Comments | Phosphatidylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 524.275034637 u |
| Formula | C24H45O10P |
| InChI | InChI=1S/C24H45O10P/c1-3-5-7-8-9-10-11-12-13-14-16-24(28)34-22(19-31-23(27)15-6-4-2)20-33-35(29,30)32-18-21(26)17-25/h7-8,21-22,25-26H,3-6,9-20H2,1-2H3,(H,29,30)/b8-7- |
| InChIKey | HOZFXMIKSKVHDH-FPLPWBNLNA-N |
| Ion Polarity | P |
| 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+NH4]+ |
| SMILES | CCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C/CCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |