| SpectraBase Spectrum ID |
5NBCph5jQ7B |
| Name |
LNAPE 24:7/N-2:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
593.311754500 u |
| Formula |
C31H48NO8P |
| InChI |
InChI=1S/C31H48NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31(35)38-27-30(34)28-40-41(36,37)39-26-25-32-29(2)33/h4-5,7-8,10-11,13-14,16-17,19-20,22-23,30,34H,3,6,9,12,15,18,21,24-28H2,1-2H3,(H,32,33)(H,36,37)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-,23-22- |
| InChIKey |
KKYRRLFSXRYFRR-IIBCDDELNA-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 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC(=O)OCC(O)COP(O)(=O)OCCNC(C)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
