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DG O-19:1_3:0
SpectraBase Compound ID 9hxBeovCCzB
InChI InChI=1S/C25H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-23-24(22-26)29-25(27)4-2/h12-13,24,26H,3-11,14-23H2,1-2H3/b13-12-
InChIKey KQPAEDVHTDHKTR-SEYXRHQNNA-N
Mol Weight 412.7 g/mol
Molecular Formula C25H48O4
Exact Mass 412.35526 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID K5Ew11iPdqa
Name DG O-19:1_3:0
Classification Glycerolipids [GL]
Comments Ether-linked diacylglycerol
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.355260022 u
Formula C25H48O4
InChI InChI=1S/C25H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-23-24(22-26)29-25(27)4-2/h12-13,24,26H,3-11,14-23H2,1-2H3/b13-12-
InChIKey KQPAEDVHTDHKTR-SEYXRHQNNA-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+NH4]+
SMILES CCCCCCCCC\C=C/CCCCCCCCOCC(CO)OC(=O)CC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES