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DGDG O-8:0_14:1
SpectraBase Compound ID ATvym2DZi2v
InChI InChI=1S/C37H68O14/c1-3-5-7-9-11-12-13-14-15-16-18-20-29(39)49-26(23-46-21-19-17-10-8-6-4-2)24-47-36-35(45)33(43)31(41)28(51-36)25-48-37-34(44)32(42)30(40)27(22-38)50-37/h9,11,26-28,30-38,40-45H,3-8,10,12-25H2,1-2H3/b11-9-
InChIKey FISYBVKQKHAWES-LUAWRHEFNA-N
Mol Weight 736.9 g/mol
Molecular Formula C37H68O14
Exact Mass 736.460907 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID I2NwgzA4Xjr
Name DGDG O-8:0_14:1
Classification Glycerolipids [GL]
Comments Ether-linked digalactosyldiacylglycerol
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 736.460906856 u
Formula C37H68O14
InChI InChI=1S/C37H68O14/c1-3-5-7-9-11-12-13-14-15-16-18-20-29(39)49-26(23-46-21-19-17-10-8-6-4-2)24-47-36-35(45)33(43)31(41)28(51-36)25-48-37-34(44)32(42)30(40)27(22-38)50-37/h9,11,26-28,30-38,40-45H,3-8,10,12-25H2,1-2H3/b11-9-
InChIKey FISYBVKQKHAWES-LUAWRHEFNA-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+Na]+
SMILES CCCCCCCCOCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCC\C=C/CCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES