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LPG 13:0
SpectraBase Compound ID KT2XEFbllx4
InChI InChI=1S/C19H39O9P/c1-2-3-4-5-6-7-8-9-10-11-12-19(23)26-14-18(22)16-28-29(24,25)27-15-17(21)13-20/h17-18,20-22H,2-16H2,1H3,(H,24,25)
InChIKey AEHBULVOYJOBBW-UHFFFAOYNA-N
Mol Weight 442.5 g/mol
Molecular Formula C19H39O9P
Exact Mass 442.23317 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Ic7vcQXUe8J
Name LPG 13:0
Classification Glycerophospholipids [GP]
Comments Lysophosphatidylglycerol
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.233169825 u
Formula C19H39O9P
InChI InChI=1S/C19H39O9P/c1-2-3-4-5-6-7-8-9-10-11-12-19(23)26-14-18(22)16-28-29(24,25)27-15-17(21)13-20/h17-18,20-22H,2-16H2,1H3,(H,24,25)
InChIKey AEHBULVOYJOBBW-UHFFFAOYNA-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 CCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(O)CO
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES