LNAPS 24:7/N-12:0

SpectraBase Compound ID	qrOjqOiG5m
InChI	InChI=1S/C42H68NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-41(46)51-35-38(44)36-52-54(49,50)53-37-39(42(47)48)43-40(45)33-31-29-27-25-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,21-22,24,26,30,32,38-39,44H,3-4,6,8-10,12,14,17,20,23,25,27-29,31,33-37H2,1-2H3,(H,43,45)(H,47,48)(H,49,50)/b7-5-,13-11-,16-15-,19-18-,22-21-,26-24-,32-30-
InChIKey	WKNXOGLYRVTLDA-MPAORALJNA-N Google Search
Mol Weight	778.0 g/mol
Molecular Formula	C42H68NO10P
Exact Mass	777.458084 g/mol

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SpectraBase Spectrum ID	5YzqBbOYBwj
Name	LNAPS 24:7/N-12:0
Classification	Glycerophosphoserines [GP03]
Comments	N-acyl-lysophosphatidylserine
Copyright	Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	777.458084382 u
Formula	C42H68NO10P
InChI	InChI=1S/C42H68NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-41(46)51-35-38(44)36-52-54(49,50)53-37-39(42(47)48)43-40(45)33-31-29-27-25-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,21-22,24,26,30,32,38-39,44H,3-4,6,8-10,12,14,17,20,23,25,27-29,31,33-37H2,1-2H3,(H,43,45)(H,47,48)(H,49,50)/b7-5-,13-11-,16-15-,19-18-,22-21-,26-24-,32-30-
InChIKey	WKNXOGLYRVTLDA-MPAORALJNA-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	CCCCCCCCCCCC(=O)NC(COP(O)(=O)OCC(O)COC(=O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O
Sample Comments	theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES