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PS O-22:0_25:0
SpectraBase Compound ID Jib6h0Hf5E5
InChI InChI=1S/C53H106NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-29-31-33-35-37-39-41-43-45-52(55)63-50(48-61-64(58,59)62-49-51(54)53(56)57)47-60-46-44-42-40-38-36-34-32-30-28-24-22-20-18-16-14-12-10-8-6-4-2/h50-51H,3-49,54H2,1-2H3,(H,56,57)(H,58,59)
InChIKey UBBPEOGRGZMQRQ-UHFFFAOYNA-N
Mol Weight 932.4 g/mol
Molecular Formula C53H106NO9P
Exact Mass 931.760521 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID ImXmWEDY2cD
Name PS O-22:0_25:0
Classification Glycerophospholipids [GP]
Comments Ether-linked phosphatidylserine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 931.760520986 u
Formula C53H106NO9P
InChI InChI=1S/C53H106NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-29-31-33-35-37-39-41-43-45-52(55)63-50(48-61-64(58,59)62-49-51(54)53(56)57)47-60-46-44-42-40-38-36-34-32-30-28-24-22-20-18-16-14-12-10-8-6-4-2/h50-51H,3-49,54H2,1-2H3,(H,56,57)(H,58,59)
InChIKey UBBPEOGRGZMQRQ-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 CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCCCCCCC)COP(O)(=O)OCC(N)C(O)=O
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES