| SpectraBase Spectrum ID |
IIBRHu0SWPa |
| Name |
LNAPE 15:0/N-18:3 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
699.483905208 u |
| Formula |
C38H70NO8P |
| InChI |
InChI=1S/C38H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-37(41)39-32-33-46-48(43,44)47-35-36(40)34-45-38(42)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36,40H,3-4,6,8-10,12,14-16,19-35H2,1-2H3,(H,39,41)(H,43,44)/b7-5-,13-11-,18-17- |
| InChIKey |
IWIJIWKUCCACPO-SVNQLWEDNA-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 |
CCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCCNC(=O)CCCCCCC\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 |
