| SpectraBase Spectrum ID |
1fFtBFXI3cU |
| Name |
LNAPE 3:0/N-22:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
591.390004822 u |
| Formula |
C30H58NO8P |
| InChI |
InChI=1S/C30H58NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(33)31-24-25-38-40(35,36)39-27-28(32)26-37-30(34)4-2/h11-12,28,32H,3-10,13-27H2,1-2H3,(H,31,33)(H,35,36)/b12-11+ |
| InChIKey |
DBPXCWHANOFFNO-VAWYXSNFNA-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 |
CCCCCCCC\C=C\CCCCCCCCCCCC(=O)NCCOP(O)(=O)OCC(O)COC(=O)CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
