| SpectraBase Spectrum ID |
IotGUyaqugs |
| Name |
LNAPE 9:0/N-26:4 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
725.499555272 u |
| Formula |
C40H72NO8P |
| InChI |
InChI=1S/C40H72NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-39(43)41-34-35-48-50(45,46)49-37-38(42)36-47-40(44)33-31-29-10-8-6-4-2/h11-12,14-15,17-18,20-21,38,42H,3-10,13,16,19,22-37H2,1-2H3,(H,41,43)(H,45,46)/b12-11-,15-14-,18-17-,21-20- |
| InChIKey |
WWKQQJVJGTYXEP-FORXSXPXNA-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 |
CCCCCCCCC(=O)OCC(O)COP(O)(=O)OCCNC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
