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PC O-18:5_15:0
SpectraBase Compound ID BQKLbb0zKFS
InChI InChI=1S/C41H74NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42(3,4)5)49-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23,25,29,31,40H,6-7,9,11-13,15,17-19,22,24,26-28,30,32-39H2,1-5H3/b10-8-,16-14-,21-20-,25-23-,31-29-
InChIKey GAPSNDDGLZOARE-KOQZQRJKNA-N
Mol Weight 724.0 g/mol
Molecular Formula C41H74NO7P
Exact Mass 723.520291 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID IgJJ269IpHQ
Name PC O-18:5_15:0
Classification Glycerophospholipids [GP]
Comments Ether-linked phosphatidylcholine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 723.520290718 u
Formula C41H74NO7P
InChI InChI=1S/C41H74NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42(3,4)5)49-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23,25,29,31,40H,6-7,9,11-13,15,17-19,22,24,26-28,30,32-39H2,1-5H3/b10-8-,16-14-,21-20-,25-23-,31-29-
InChIKey GAPSNDDGLZOARE-KOQZQRJKNA-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+HCOO]-
SMILES CCCCCCCCCCCCCCC(=O)OC(COCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES