| SpectraBase Spectrum ID |
KfJV74LUdhN |
| Name |
LNAPE 21:2/N-18:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
785.593455659 u |
| Formula |
C44H84NO8P |
| InChI |
InChI=1S/C44H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-44(48)51-40-42(46)41-53-54(49,50)52-39-38-45-43(47)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h13,15,19-20,42,46H,3-12,14,16-18,21-41H2,1-2H3,(H,45,47)(H,49,50)/b15-13-,20-19- |
| InChIKey |
CWMQQGFOQYXRNF-SESCJMQFNA-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 |
CCCCCCCCCCCCCCCCCC(=O)NCCOP(O)(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
