| SpectraBase Spectrum ID |
1PBDbpkk3EV |
| Name |
LNAPE 22:2/N-6:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
631.421304950 u |
| Formula |
C33H62NO8P |
| InChI |
InChI=1S/C33H62NO8P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-33(37)40-29-31(35)30-42-43(38,39)41-28-27-34-32(36)25-23-6-4-2/h9-10,12-13,31,35H,3-8,11,14-30H2,1-2H3,(H,34,36)(H,38,39)/b10-9-,13-12- |
| InChIKey |
LKDWMFGWUJSBSQ-UTJQPWESNA-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 |
CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCCNC(=O)CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
