SpectraBase Compound ID | BeIhTtdYUFF |
---|---|
InChI | InChI=1S/C23H48NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28-20-23(31-22(2)25)21-30-32(26,27)29-19-17-24/h23H,3-21,24H2,1-2H3,(H,26,27) |
InChIKey | LEBRETLBLINJDM-UHFFFAOYNA-N |
Mol Weight | 481.6 g/mol |
Molecular Formula | C23H48NO7P |
Exact Mass | 481.31684 g/mol |
SpectraBase Spectrum ID | BepzflfgxDU |
---|---|
Name | PE O-16:0_2:0 |
Classification | Glycerophospholipids [GP] |
Comments | Ether-linked phosphatidylethanolamine |
Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 481.316839881 u |
Formula | C23H48NO7P |
InChI | InChI=1S/C23H48NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28-20-23(31-22(2)25)21-30-32(26,27)29-19-17-24/h23H,3-21,24H2,1-2H3,(H,26,27) |
InChIKey | LEBRETLBLINJDM-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 | CCCCCCCCCCCCCCCCOCC(COP(O)(=O)OCCN)OC(C)=O |
Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |