| SpectraBase Compound ID | Li3OgDz1Rtr |
|---|---|
| InChI | InChI=1S/C18H35O12P/c1-2-3-4-5-6-7-8-12(20)28-9-11(19)10-29-31(26,27)30-18-16(24)14(22)13(21)15(23)17(18)25/h11,13-19,21-25H,2-10H2,1H3,(H,26,27) |
| InChIKey | CVIFNGDCLJRJAX-UHFFFAOYNA-N |
| Mol Weight | 474.4 g/mol |
| Molecular Formula | C18H35O12P |
| Exact Mass | 474.186614 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 4m9WkA85cqe |
|---|---|
| Name | LPI 9:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Lysophosphatidylinositol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 474.186613553 u |
| Formula | C18H35O12P |
| InChI | InChI=1S/C18H35O12P/c1-2-3-4-5-6-7-8-12(20)28-9-11(19)10-29-31(26,27)30-18-16(24)14(22)13(21)15(23)17(18)25/h11,13-19,21-25H,2-10H2,1H3,(H,26,27) |
| InChIKey | CVIFNGDCLJRJAX-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 | CCCCCCCCC(=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 |