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LNAPE 13:1/N-2:0
SpectraBase Compound ID HUnBHcSpry2
InChI InChI=1S/C20H38NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-20(24)27-16-19(23)17-29-30(25,26)28-15-14-21-18(2)22/h5-6,19,23H,3-4,7-17H2,1-2H3,(H,21,22)(H,25,26)/b6-5-
InChIKey GYLXHYRBUUZEFS-WAYWQWQTNA-N
Mol Weight 451.5 g/mol
Molecular Formula C20H38NO8P
Exact Mass 451.233504 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7P6p3Xs2woR
Name LNAPE 13:1/N-2:0
Classification Glycerophospholipids [GP]
Comments N-acyl-lysophosphatidylethanolamine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.233504178 u
Formula C20H38NO8P
InChI InChI=1S/C20H38NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-20(24)27-16-19(23)17-29-30(25,26)28-15-14-21-18(2)22/h5-6,19,23H,3-4,7-17H2,1-2H3,(H,21,22)(H,25,26)/b6-5-
InChIKey GYLXHYRBUUZEFS-WAYWQWQTNA-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 CCC\C=C/CCCCCCCC(=O)OCC(O)COP(O)(=O)OCCNC(C)=O
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES