For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
LNAPE 3:0/N-26:0
SpectraBase Compound ID 13cb2FwPiha
InChI InChI=1S/C34H68NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-33(37)35-28-29-42-44(39,40)43-31-32(36)30-41-34(38)4-2/h32,36H,3-31H2,1-2H3,(H,35,37)(H,39,40)
InChIKey IGSIUPPPVRLFAE-UHFFFAOYNA-N
Mol Weight 649.9 g/mol
Molecular Formula C34H68NO8P
Exact Mass 649.468255 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EpKnnohkvVu
Name LNAPE 3:0/N-26:0
Classification Glycerophospholipids [GP]
Comments N-acyl-lysophosphatidylethanolamine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 649.468255144 u
Formula C34H68NO8P
InChI InChI=1S/C34H68NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-33(37)35-28-29-42-44(39,40)43-31-32(36)30-41-34(38)4-2/h32,36H,3-31H2,1-2H3,(H,35,37)(H,39,40)
InChIKey IGSIUPPPVRLFAE-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 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCOP(O)(=O)OCC(O)COC(=O)CC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES