| SpectraBase Spectrum ID |
3nE0kOEuLFb |
| Name |
LNAPE 21:2/N-10:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
673.468255144 u |
| Formula |
C36H68NO8P |
| InChI |
InChI=1S/C36H68NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-29-36(40)43-32-34(38)33-45-46(41,42)44-31-30-37-35(39)28-26-24-22-10-8-6-4-2/h12-13,15-16,34,38H,3-11,14,17-33H2,1-2H3,(H,37,39)(H,41,42)/b13-12-,16-15- |
| InChIKey |
SVOQBVUOUJBURS-QGLGPCELNA-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 |
CCCCCCCCCC(=O)NCCOP(O)(=O)OCC(O)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
