LNAPE 16:1/N-24:7

SpectraBase Compound ID	5OOVr2YX5No
InChI	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-44(48)46-39-40-53-55(50,51)54-42-43(47)41-52-45(49)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,23-24,27,29,33,35,43,47H,3-4,6,8-10,12,15,19,22,25-26,28,30-32,34,36-42H2,1-2H3,(H,46,48)(H,50,51)/b7-5-,13-11-,16-14-,18-17-,21-20-,24-23-,29-27-,35-33-
InChIKey	JEXVHPZSYOPXSC-KQKVFHKNNA-N Google Search
Mol Weight	788.1 g/mol
Molecular Formula	C45H74NO8P
Exact Mass	787.515205 g/mol

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SpectraBase Spectrum ID	4qCZ7nWwjko
Name	LNAPE 16:1/N-24:7
Classification	Glycerophospholipids [GP]
Comments	N-acyl-lysophosphatidylethanolamine
Copyright	Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	787.515205337 u
Formula	C45H74NO8P
InChI	InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-44(48)46-39-40-53-55(50,51)54-42-43(47)41-52-45(49)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,23-24,27,29,33,35,43,47H,3-4,6,8-10,12,15,19,22,25-26,28,30-32,34,36-42H2,1-2H3,(H,46,48)(H,50,51)/b7-5-,13-11-,16-14-,18-17-,21-20-,24-23-,29-27-,35-33-
InChIKey	JEXVHPZSYOPXSC-KQKVFHKNNA-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	CCCCCC\C=C/CCCCCCCC(=O)OCC(O)COP(O)(=O)OCCNC(=O)C\C=C/C\C=C/C\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