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LNAPS 20:5/N-19:2
SpectraBase Compound ID 6AE2Gps3Qnt
InChI InChI=1S/C45H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(49)54-38-41(47)39-55-57(52,53)56-40-42(45(50)51)46-43(48)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19-20,22-23,25,29,31,41-42,47H,3-4,6,8-10,12,15,18,21,24,26-28,30,32-40H2,1-2H3,(H,46,48)(H,50,51)(H,52,53)/b7-5-,13-11-,16-14-,19-17-,22-20-,25-23-,31-29-
InChIKey WIOFUWWNJWBLNJ-AKBKOYJKNA-N
Mol Weight 820.1 g/mol
Molecular Formula C45H74NO10P
Exact Mass 819.505035 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID DnobYNUBJM6
Name LNAPS 20:5/N-19:2
Classification Glycerophosphoserines [GP03]
Comments N-acyl-lysophosphatidylserine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 819.505034575 u
Formula C45H74NO10P
InChI InChI=1S/C45H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(49)54-38-41(47)39-55-57(52,53)56-40-42(45(50)51)46-43(48)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19-20,22-23,25,29,31,41-42,47H,3-4,6,8-10,12,15,18,21,24,26-28,30,32-40H2,1-2H3,(H,46,48)(H,50,51)(H,52,53)/b7-5-,13-11-,16-14-,19-17-,22-20-,25-23-,31-29-
InChIKey WIOFUWWNJWBLNJ-AKBKOYJKNA-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/C\C=C/CCCCCCCC(=O)NC(COP(O)(=O)OCC(O)COC(=O)CCC\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