| SpectraBase Spectrum ID |
42CUt22CPVf |
| Name |
LNAPE 4:0/N-13:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
479.264804306 u |
| Formula |
C22H42NO8P |
| InChI |
InChI=1S/C22H42NO8P/c1-3-5-6-7-8-9-10-11-12-13-15-21(25)23-16-17-30-32(27,28)31-19-20(24)18-29-22(26)14-4-2/h6-7,20,24H,3-5,8-19H2,1-2H3,(H,23,25)(H,27,28)/b7-6- |
| InChIKey |
GTHXJKBONYWUAK-SREVYHEPNA-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 |
CCC\C=C/CCCCCCCC(=O)NCCOP(O)(=O)OCC(O)COC(=O)CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
