| SpectraBase Spectrum ID |
IrUctv5UGXp |
| Name |
LNAPE 2:0/N-26:7 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
621.343054628 u |
| Formula |
C33H52NO8P |
| InChI |
InChI=1S/C33H52NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-33(37)34-27-28-41-43(38,39)42-30-32(36)29-40-31(2)35/h4-5,7-8,10-11,13-14,16-17,19-20,22-23,32,36H,3,6,9,12,15,18,21,24-30H2,1-2H3,(H,34,37)(H,38,39)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-,23-22- |
| InChIKey |
VEDYMGJXEYIJTN-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/CCCC(=O)NCCOP(O)(=O)OCC(O)COC(C)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
