| SpectraBase Spectrum ID |
8B4QFb0VOO9 |
| Name |
LNAPE 21:2/N-3:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
575.358704693 u |
| Formula |
C29H54NO8P |
| InChI |
InChI=1S/C29H54NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(33)36-25-27(31)26-38-39(34,35)37-24-23-30-28(32)4-2/h9-10,12-13,27,31H,3-8,11,14-26H2,1-2H3,(H,30,32)(H,34,35)/b10-9-,13-12- |
| InChIKey |
JAPSWESISCDJDW-UTJQPWESNA-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 |
CCCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCCNC(=O)CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
