| SpectraBase Spectrum ID |
4sSKpxWwAlI |
| Name |
LNAPE 19:2/N-24:2 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
837.624755788 u |
| Formula |
C48H88NO8P |
| InChI |
InChI=1S/C48H88NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(51)49-42-43-56-58(53,54)57-45-46(50)44-55-48(52)41-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19-20,27,46,50H,3-10,12,15,18,21-26,28-45H2,1-2H3,(H,49,51)(H,53,54)/b13-11-,16-14-,19-17-,27-20- |
| InChIKey |
ITKFTQQTMOGDDF-PIEAURIZNA-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 |
CCCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COP(O)(=O)OCCNC(=O)CCCCCCCCCCCCC\C=C/C\C=C/CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
