| SpectraBase Compound ID | E0F6c8u29jG |
|---|---|
| InChI | InChI=1S/C48H93O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(50)60-40(38-58-41(49)36-34-32-30-28-26-16-14-12-10-8-6-4-2)39-59-62(56,57)61-48-46(54)44(52)43(51)45(53)47(48)55/h40,43-48,51-55H,3-39H2,1-2H3,(H,56,57) |
| InChIKey | XTFGLSMFFGKKEX-UHFFFAOYNA-N |
| Mol Weight | 909.2 g/mol |
| Molecular Formula | C48H93O13P |
| Exact Mass | 908.63538 g/mol |
Mass Spectrum (LC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JPmYkGiaEVL |
|---|---|
| Name | PI 15:0_24:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Phosphatidylinositol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 908.635380040 u |
| Formula | C48H93O13P |
| InChI | InChI=1S/C48H93O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(50)60-40(38-58-41(49)36-34-32-30-28-26-16-14-12-10-8-6-4-2)39-59-62(56,57)61-48-46(54)44(52)43(51)45(53)47(48)55/h40,43-48,51-55H,3-39H2,1-2H3,(H,56,57) |
| InChIKey | XTFGLSMFFGKKEX-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 | CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)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 |