| SpectraBase Spectrum ID |
I1Ighxc3j46 |
| Name |
LNAPE 18:1/N-5:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
563.358704693 u |
| Formula |
C28H54NO8P |
| InChI |
InChI=1S/C28H54NO8P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-28(32)35-24-26(30)25-37-38(33,34)36-23-22-29-27(31)20-6-4-2/h12-13,26,30H,3-11,14-25H2,1-2H3,(H,29,31)(H,33,34)/b13-12- |
| InChIKey |
VLMZWHYMEJCAAP-SEYXRHQNNA-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 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COP(O)(=O)OCCNC(=O)CCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
