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

*Links on SpectraBase are not permalinks.
LNAPE 22:5/N-4:0
SpectraBase Compound ID J4AJ2zjds9J
InChI InChI=1S/C31H52NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(35)38-27-29(33)28-40-41(36,37)39-26-25-32-30(34)23-4-2/h5-6,8-9,11-12,14-15,17-18,29,33H,3-4,7,10,13,16,19-28H2,1-2H3,(H,32,34)(H,36,37)/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKey MFJHUEKDENQQJP-AAQCHOMXNA-N
Mol Weight 597.7 g/mol
Molecular Formula C31H52NO8P
Exact Mass 597.343055 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 F9ylVlkFPVw
Name LNAPE 22:5/N-4:0
Classification Glycerophospholipids [GP]
Comments N-acyl-lysophosphatidylethanolamine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 597.343054628 u
Formula C31H52NO8P
InChI InChI=1S/C31H52NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(35)38-27-29(33)28-40-41(36,37)39-26-25-32-30(34)23-4-2/h5-6,8-9,11-12,14-15,17-18,29,33H,3-4,7,10,13,16,19-28H2,1-2H3,(H,32,34)(H,36,37)/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKey MFJHUEKDENQQJP-AAQCHOMXNA-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 CCCC(=O)NCCOP(O)(=O)OCC(O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES