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PE O-19:2_16:1
SpectraBase Compound ID H9s6j4wQ7BU
InChI InChI=1S/C40H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41)48-40(42)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h13-16,18-19,39H,3-12,17,20-38,41H2,1-2H3,(H,43,44)/b15-13-,16-14-,19-18-
InChIKey CGYDOJWNPDOHNR-OBMQDGOVNA-N
Mol Weight 714.0 g/mol
Molecular Formula C40H76NO7P
Exact Mass 713.535941 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID AesU0hLNnFZ
Name PE O-19:2_16:1
Classification Glycerophospholipids [GP]
Comments Ether-linked phosphatidylethanolamine
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 713.535940782 u
Formula C40H76NO7P
InChI InChI=1S/C40H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41)48-40(42)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h13-16,18-19,39H,3-12,17,20-38,41H2,1-2H3,(H,43,44)/b15-13-,16-14-,19-18-
InChIKey CGYDOJWNPDOHNR-OBMQDGOVNA-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 CCCCCC\C=C/CCCCCCCC(=O)OC(COCCCCCCCC\C=C/C\C=C/CCCCCC)COP(O)(=O)OCCN
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES