| SpectraBase Spectrum ID |
DEYLL4VTOrT |
| Name |
LNAPE 9:0/N-5:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.233504178 u |
| Formula |
C19H38NO8P |
| InChI |
InChI=1S/C19H38NO8P/c1-3-5-7-8-9-10-12-19(23)26-15-17(21)16-28-29(24,25)27-14-13-20-18(22)11-6-4-2/h17,21H,3-16H2,1-2H3,(H,20,22)(H,24,25) |
| InChIKey |
JNYUYYYSBFEKHE-UHFFFAOYNA-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 |
CCCCCCCCC(=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 |
