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DGDG 2:0_11:0
SpectraBase Compound ID JsahL3MXQ5J
InChI InChI=1S/C28H50O15/c1-3-4-5-6-7-8-9-10-11-20(31)41-17(13-38-16(2)30)14-39-27-26(37)24(35)22(33)19(43-27)15-40-28-25(36)23(34)21(32)18(12-29)42-28/h17-19,21-29,32-37H,3-15H2,1-2H3
InChIKey ASPQUIHEMBNTRW-UHFFFAOYNA-N
Mol Weight 626.7 g/mol
Molecular Formula C28H50O15
Exact Mass 626.314971 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 4DegNBphOM8
Name DGDG 2:0_11:0
Classification Glycerolipids [GL]
Comments Digalactosyldiacylglycerol
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 626.314970895 u
Formula C28H50O15
InChI InChI=1S/C28H50O15/c1-3-4-5-6-7-8-9-10-11-20(31)41-17(13-38-16(2)30)14-39-27-26(37)24(35)22(33)19(43-27)15-40-28-25(36)23(34)21(32)18(12-29)42-28/h17-19,21-29,32-37H,3-15H2,1-2H3
InChIKey ASPQUIHEMBNTRW-UHFFFAOYNA-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 CCCCCCCCCCC(=O)OC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)COC(C)=O
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES