| SpectraBase Compound ID | I8q0jVT5i9K |
|---|---|
| InChI | InChI=1S/C13H25O12P/c1-2-3-7(15)23-4-6(14)5-24-26(21,22)25-13-11(19)9(17)8(16)10(18)12(13)20/h6,8-14,16-20H,2-5H2,1H3,(H,21,22) |
| InChIKey | DLEUOWIZFXLKLG-UHFFFAOYNA-N |
| Mol Weight | 404.3 g/mol |
| Molecular Formula | C13H25O12P |
| Exact Mass | 404.108363 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 8mxqdtLB5Un |
|---|---|
| Name | LPI 4:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Lysophosphatidylinositol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.108363231 u |
| Formula | C13H25O12P |
| InChI | InChI=1S/C13H25O12P/c1-2-3-7(15)23-4-6(14)5-24-26(21,22)25-13-11(19)9(17)8(16)10(18)12(13)20/h6,8-14,16-20H,2-5H2,1H3,(H,21,22) |
| InChIKey | DLEUOWIZFXLKLG-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 | CCCC(=O)OCC(O)COP(O)(=O)OC1C(O)C(O)C(O)C(O)C1O |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |