| SpectraBase Compound ID | 2023NJMPxtb |
|---|---|
| InChI | InChI=1S/C20H39O12P/c1-2-3-4-5-6-7-8-9-10-14(22)30-11-13(21)12-31-33(28,29)32-20-18(26)16(24)15(23)17(25)19(20)27/h13,15-21,23-27H,2-12H2,1H3,(H,28,29) |
| InChIKey | MKCRCGZIFHAEOS-UHFFFAOYNA-N |
| Mol Weight | 502.5 g/mol |
| Molecular Formula | C20H39O12P |
| Exact Mass | 502.217914 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | FhXl7ZArMKD |
|---|---|
| Name | LPI 11:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Lysophosphatidylinositol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 502.217913682 u |
| Formula | C20H39O12P |
| InChI | InChI=1S/C20H39O12P/c1-2-3-4-5-6-7-8-9-10-14(22)30-11-13(21)12-31-33(28,29)32-20-18(26)16(24)15(23)17(25)19(20)27/h13,15-21,23-27H,2-12H2,1H3,(H,28,29) |
| InChIKey | MKCRCGZIFHAEOS-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 | CCCCCCCCCCC(=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 |