| SpectraBase Spectrum ID |
857xFxY3Smp |
| Name |
LNAPE 3:0/N-17:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
521.311754500 u |
| Formula |
C25H48NO8P |
| InChI |
InChI=1S/C25H48NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(28)26-19-20-33-35(30,31)34-22-23(27)21-32-25(29)4-2/h10-11,23,27H,3-9,12-22H2,1-2H3,(H,26,28)(H,30,31)/b11-10- |
| InChIKey |
PWBLBNYTVYWHAN-KHPPLWFENA-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 |
CCCCCCC\C=C/CCCCCCCC(=O)NCCOP(O)(=O)OCC(O)COC(=O)CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
