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LNAPE 19:2/N-17:1
SpectraBase Compound ID JXqO73DUPJ5
InChI InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-41(45)48-37-39(43)38-50-51(46,47)49-36-35-42-40(44)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15-16,18-20,39,43H,3-12,14,17,21-38H2,1-2H3,(H,42,44)(H,46,47)/b15-13-,18-16-,20-19-
InChIKey NIDXIGMAEFEBGD-FKDBMLBBNA-N
Mol Weight 742.0 g/mol
Molecular Formula C41H76NO8P
Exact Mass 741.530855 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 43rL0HaW724
Name LNAPE 19:2/N-17:1
Classification Glycerophospholipids [GP]
Comments N-acyl-lysophosphatidylethanolamine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 741.530855401 u
Formula C41H76NO8P
InChI InChI=1S/C41H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-41(45)48-37-39(43)38-50-51(46,47)49-36-35-42-40(44)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15-16,18-20,39,43H,3-12,14,17,21-38H2,1-2H3,(H,42,44)(H,46,47)/b15-13-,18-16-,20-19-
InChIKey NIDXIGMAEFEBGD-FKDBMLBBNA-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 CCCCCCC\C=C/CCCCCCCC(=O)NCCOP(O)(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES