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DG O-20:5_26:0

View entire compound with spectra: 1 MS (LC)

DG O-20:5_26:0
SpectraBase Compound ID 5tlZ11LDkv6
InChI InChI=1S/C49H88O4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-49(51)53-48(46-50)47-52-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,29,31,35,37,48,50H,3-5,7,9-11,13,15-17,19,21-28,30,32-34,36,38-47H2,1-2H3/b8-6-,14-12-,20-18-,31-29-,37-35-
InChIKey VSBHDHJEGXFRCM-OZBIJXCTNA-N
Mol Weight 741.2 g/mol
Molecular Formula C49H88O4
Exact Mass 740.668261 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID FnA4J3ZGW87
Name DG O-20:5_26:0
Classification Glycerolipids [GL]
Comments Ether-linked diacylglycerol
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 740.668261310 u
Formula C49H88O4
InChI InChI=1S/C49H88O4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-49(51)53-48(46-50)47-52-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,29,31,35,37,48,50H,3-5,7,9-11,13,15-17,19,21-28,30,32-34,36,38-47H2,1-2H3/b8-6-,14-12-,20-18-,31-29-,37-35-
InChIKey VSBHDHJEGXFRCM-OZBIJXCTNA-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 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES