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DGDG 2:0_18:3
SpectraBase Compound ID 27KddIaZAfz
InChI InChI=1S/C35H58O15/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(38)48-24(20-45-23(2)37)21-46-34-33(44)31(42)29(40)26(50-34)22-47-35-32(43)30(41)28(39)25(19-36)49-35/h4-5,7-8,10-11,24-26,28-36,39-44H,3,6,9,12-22H2,1-2H3/b5-4-,8-7-,11-10-
InChIKey JRQPQXYHHSFZTP-YSTUJMKBNA-N
Mol Weight 718.8 g/mol
Molecular Formula C35H58O15
Exact Mass 718.377571 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Gw4SiYtSM9I
Name DGDG 2:0_18:3
Classification Glycerolipids [GL]
Comments Digalactosyldiacylglycerol
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 718.377571153 u
Formula C35H58O15
InChI InChI=1S/C35H58O15/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(38)48-24(20-45-23(2)37)21-46-34-33(44)31(42)29(40)26(50-34)22-47-35-32(43)30(41)28(39)25(19-36)49-35/h4-5,7-8,10-11,24-26,28-36,39-44H,3,6,9,12-22H2,1-2H3/b5-4-,8-7-,11-10-
InChIKey JRQPQXYHHSFZTP-YSTUJMKBNA-N
Ion Polarity N
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+HCOO]-
SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=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