| SpectraBase Compound ID | CgTTsNb5bZ3 |
|---|---|
| InChI | InChI=1S/C20H42NO7P/c1-3-5-7-8-9-10-11-12-15-25-17-19(28-20(22)13-6-4-2)18-27-29(23,24)26-16-14-21/h19H,3-18,21H2,1-2H3,(H,23,24) |
| InChIKey | ZWSVBKWGOHSHEJ-UHFFFAOYNA-N |
| Mol Weight | 439.5 g/mol |
| Molecular Formula | C20H42NO7P |
| Exact Mass | 439.26989 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 | 97pd4u1CHsu |
|---|---|
| Name | PE O-10:0_5:0 |
| Classification | Glycerophospholipids [GP] |
| Comments | Ether-linked phosphatidylethanolamine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 439.269889687 u |
| Formula | C20H42NO7P |
| InChI | InChI=1S/C20H42NO7P/c1-3-5-7-8-9-10-11-12-15-25-17-19(28-20(22)13-6-4-2)18-27-29(23,24)26-16-14-21/h19H,3-18,21H2,1-2H3,(H,23,24) |
| InChIKey | ZWSVBKWGOHSHEJ-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+H]+ |
| SMILES | CCCCCCCCCCOCC(COP(O)(=O)OCCN)OC(=O)CCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |