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

*Links on SpectraBase are not permalinks.
LNAPE 26:3/N-22:0
SpectraBase Compound ID AtD2mY7lYzs
InChI InChI=1S/C53H100NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-44-46-53(57)60-49-51(55)50-62-63(58,59)61-48-47-54-52(56)45-43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,51,55H,3-10,12,14-16,18,20-22,25-50H2,1-2H3,(H,54,56)(H,58,59)/b13-11-,19-17-,24-23-
InChIKey BLXUYXMSISHJMK-VTOXUFQKNA-N
Mol Weight 910.4 g/mol
Molecular Formula C53H100NO8P
Exact Mass 909.718656 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 5U7pYJOsHM
Name LNAPE 26:3/N-22:0
Classification Glycerophospholipids [GP]
Comments N-acyl-lysophosphatidylethanolamine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 909.718656174 u
Formula C53H100NO8P
InChI InChI=1S/C53H100NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-44-46-53(57)60-49-51(55)50-62-63(58,59)61-48-47-54-52(56)45-43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,51,55H,3-10,12,14-16,18,20-22,25-50H2,1-2H3,(H,54,56)(H,58,59)/b13-11-,19-17-,24-23-
InChIKey BLXUYXMSISHJMK-VTOXUFQKNA-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 CCCCCCCCCCCCCCCCCCCCCC(=O)NCCOP(O)(=O)OCC(O)COC(=O)CCCCCCCCCCCC\C=C/C\C=C/C\C=C/CCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES