| SpectraBase Spectrum ID |
5vHvMmEfyr7 |
| Name |
LNAPE 26:4/N-21:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
891.671705981 u |
| Formula |
C52H94NO8P |
| InChI |
InChI=1S/C52H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-29-31-33-35-37-39-41-43-45-52(56)59-48-50(54)49-61-62(57,58)60-47-46-53-51(55)44-42-40-38-36-34-32-30-28-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,22-24,26-27,50,54H,3-10,12,14-16,18,21,25,28-49H2,1-2H3,(H,53,55)(H,57,58)/b13-11-,19-17-,22-20-,24-23-,27-26- |
| InChIKey |
LJBOKNQDYZGRLB-DLPITFLXNA-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 |
CCCCCCCCC\C=C/CCCCCCCCCC(=O)NCCOP(O)(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
