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PG 14:1_24:4
SpectraBase Compound ID KpnnweQqS7O
InChI InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,41-42,45-46H,3-4,6,8-9,14-15,18,21-40H2,1-2H3,(H,49,50)/b7-5-,12-10-,13-11-,17-16-,20-19-
InChIKey DZXQJRWKBUWEFT-REJVNYKHNA-N
Mol Weight 797.1 g/mol
Molecular Formula C44H77O10P
Exact Mass 796.525436 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 2YeJL158zK8
Name PG 14:1_24:4
Classification Glycerophospholipids [GP]
Comments Phosphatidylglycerol
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 796.525435667 u
Formula C44H77O10P
InChI InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,41-42,45-46H,3-4,6,8-9,14-15,18,21-40H2,1-2H3,(H,49,50)/b7-5-,12-10-,13-11-,17-16-,20-19-
InChIKey DZXQJRWKBUWEFT-REJVNYKHNA-N
Ion Polarity P
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+NH4]+
SMILES CCCC\C=C/CCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCCCCC\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