| SpectraBase Spectrum ID |
3o8HThBU6w1 |
| Name |
LNAPE 17:2/N-15:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
N-acyl-lysophosphatidylethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
685.468255144 u |
| Formula |
C37H68NO8P |
| InChI |
InChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-37(41)44-33-35(39)34-46-47(42,43)45-32-31-38-36(40)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h9,11-12,14-15,17,35,39H,3-8,10,13,16,18-34H2,1-2H3,(H,38,40)(H,42,43)/b11-9-,14-12-,17-15- |
| InChIKey |
KVRGNEOQBSDREX-XTUUZXLNNA-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/CCCCCCCC(=O)NCCOP(O)(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
