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PG 26:4_22:5
SpectraBase Compound ID 2aQw2jcaf9J
InChI InChI=1S/C54H89O10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-29-31-33-35-37-39-41-43-45-53(57)61-49-52(50-63-65(59,60)62-48-51(56)47-55)64-54(58)46-44-42-40-38-36-34-32-30-27-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-24,27,30,34,36,51-52,55-56H,3-4,9-10,15-16,21-22,25-26,28-29,31-33,35,37-50H2,1-2H3,(H,59,60)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-23-,30-27-,36-34-
InChIKey KGEBWVONWRTBJK-LKOCNOBBNA-N
Mol Weight 929.3 g/mol
Molecular Formula C54H89O10P
Exact Mass 928.619336 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8bWUz3aUUq7
Name PG 26:4_22:5
Classification Glycerophospholipids [GP]
Comments Phosphatidylglycerol
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 928.619336054 u
Formula C54H89O10P
InChI InChI=1S/C54H89O10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-29-31-33-35-37-39-41-43-45-53(57)61-49-52(50-63-65(59,60)62-48-51(56)47-55)64-54(58)46-44-42-40-38-36-34-32-30-27-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-24,27,30,34,36,51-52,55-56H,3-4,9-10,15-16,21-22,25-26,28-29,31-33,35,37-50H2,1-2H3,(H,59,60)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,24-23-,30-27-,36-34-
InChIKey KGEBWVONWRTBJK-LKOCNOBBNA-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 CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCC\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