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LPI 23:0
SpectraBase Compound ID DwWaRCscAqf
InChI InChI=1S/C32H63O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(34)42-23-25(33)24-43-45(40,41)44-32-30(38)28(36)27(35)29(37)31(32)39/h25,27-33,35-39H,2-24H2,1H3,(H,40,41)
InChIKey YKFWIDAILHEDBG-UHFFFAOYNA-N
Mol Weight 670.8 g/mol
Molecular Formula C32H63O12P
Exact Mass 670.405714 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6jSIOz6GE5T
Name LPI 23:0
Classification Glycerophospholipids [GP]
Comments Lysophosphatidylinositol
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 670.405714455 u
Formula C32H63O12P
InChI InChI=1S/C32H63O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(34)42-23-25(33)24-43-45(40,41)44-32-30(38)28(36)27(35)29(37)31(32)39/h25,27-33,35-39H,2-24H2,1H3,(H,40,41)
InChIKey YKFWIDAILHEDBG-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 CCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OC1C(O)C(O)C(O)C(O)C1O
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES