| SpectraBase Spectrum ID |
69P581WWKz |
| Name |
LNAPE 18:4/N-24:7 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
809.499555272 u |
| Formula |
C47H72NO8P |
| InChI |
InChI=1S/C47H72NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(50)48-41-42-55-57(52,53)56-44-45(49)43-54-47(51)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-26,29-32,35,37,45,49H,3-4,9-10,15-16,20,23,27-28,33-34,36,38-44H2,1-2H3,(H,48,50)(H,52,53)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-18-,26-24-,31-29-,32-30-,37-35- |
| InChIKey |
AKOMWNGZNFOJTC-MUKNYFFKNA-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 |
CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OCC(O)COP(O)(=O)OCCNC(=O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
