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PS 24:0_17:2

View entire compound with spectra: 2 MS (LC)

PS 24:0_17:2
SpectraBase Compound ID BESUX5VX1VO
InChI InChI=1S/C47H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-28-30-32-34-36-38-45(49)55-40-43(41-56-59(53,54)57-42-44(48)47(51)52)58-46(50)39-37-35-33-31-29-26-18-16-14-12-10-8-6-4-2/h10,12,16,18,43-44H,3-9,11,13-15,17,19-42,48H2,1-2H3,(H,51,52)(H,53,54)/b12-10-,18-16-
InChIKey FRSUDSCTNDDVFQ-XOMYGGGSNA-N
Mol Weight 858.2 g/mol
Molecular Formula C47H88NO10P
Exact Mass 857.614585 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 2kgaufvNYLW
Name PS 24:0_17:2
Classification Glycerophospholipids [GP]
Comments Phosphatidylserine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 857.614585026 u
Formula C47H88NO10P
InChI InChI=1S/C47H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-28-30-32-34-36-38-45(49)55-40-43(41-56-59(53,54)57-42-44(48)47(51)52)58-46(50)39-37-35-33-31-29-26-18-16-14-12-10-8-6-4-2/h10,12,16,18,43-44H,3-9,11,13-15,17,19-42,48H2,1-2H3,(H,51,52)(H,53,54)/b12-10-,18-16-
InChIKey FRSUDSCTNDDVFQ-XOMYGGGSNA-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+H]+
SMILES CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES