| SpectraBase Compound ID | G7VDKkHQ1XP |
|---|---|
| InChI | InChI=1S/C54H108NO8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55)50-60-53(56)46-44-42-8-6-4-2/h52H,3-51,55H2,1-2H3,(H,58,59) |
| InChIKey | CTVXHLPIXUDXNT-UHFFFAOYNA-N |
| Mol Weight | 930.4 g/mol |
| Molecular Formula | C54H108NO8P |
| Exact Mass | 929.781256 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 | DWQqxaPkupW |
|---|---|
| Name | PE 49:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Phosphatidylethanolamine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 929.781256432 u |
| Formula | C54H108NO8P |
| InChI | InChI=1S/C54H108NO8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55)50-60-53(56)46-44-42-8-6-4-2/h52H,3-51,55H2,1-2H3,(H,58,59) |
| InChIKey | CTVXHLPIXUDXNT-UHFFFAOYNA-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+Na]+ |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COP(O)(=O)OCCN |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |